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13 pages, 3689 KiB  
Article
Propagation of a Fatigue Crack Through a Hole
by Diogo Neto, Joel Jesus, Ricardo Branco, Edmundo Sérgio and Fernando Antunes
Materials 2024, 17(24), 6261; https://doi.org/10.3390/ma17246261 (registering DOI) - 21 Dec 2024
Viewed by 230
Abstract
The stop-hole technique is a well-known strategy to extend the fatigue life of cracked components. The ability to estimate fatigue life after the hole is important for safety reasons. The objective here is to develop strategies for the accurate prediction of initiation and [...] Read more.
The stop-hole technique is a well-known strategy to extend the fatigue life of cracked components. The ability to estimate fatigue life after the hole is important for safety reasons. The objective here is to develop strategies for the accurate prediction of initiation and propagation life ahead of the stop-hole. Experimental work was developed in a Compact-Tension (CT) specimen made of 7050-T7451 aluminium alloy and with a 3 mm diameter hole. A total number of 625,000 load cycles were required to re-initiate the crack after the hole. Crack initiation life after the hole was estimated using the Theory of Critical Distances combined with the Smith–Watson–Topper parameter. A value of a0 = 31.83 µm was obtained for El Haddad parameter, which was used to define the critical distance. The predicted life was found to be only 4% lower than the experimental value. The fatigue crack growth (FCG) rate was calculated using a node release strategy, assuming that cyclic plastic deformation is the main damage mechanism and that cumulative plastic strain is the crack driving parameter. A good agreement was found between the numerical predictions of da/dN and the experimental results. The main result, however, is the proposed methodology, which allows predicting the initiation and propagation lives in notched components. Full article
(This article belongs to the Special Issue Fatigue Crack Growth in Metallic Materials (Volume II))
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Figure 1

Figure 1
<p>Geometry of the C(T) specimen with stop-hole (dimensions in mm).</p>
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<p>Crack length versus number of load cycles.</p>
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<p>Fatigue crack growth rate (da/dN) versus ΔK.</p>
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<p>Strategy for the prediction of initiation life (<span class="html-italic">N<sub>f</sub></span>).</p>
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<p>Finite element mesh of the CT: (<b>a</b>) specimen without hole; (<b>b</b>) specimen with hole (mesh refinement before the hole); (<b>c</b>) specimen with hole (mesh refinement after the hole).</p>
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<p>Finite element mesh of the CT: (<b>a</b>) specimen without hole; (<b>b</b>) specimen with hole (mesh refinement before the hole); (<b>c</b>) specimen with hole (mesh refinement after the hole).</p>
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<p><span class="html-italic">SWT</span> parameter versus number of reversals to failure derived from low-cycle fatigue tests performed by Hou et al. [<a href="#B47-materials-17-06261" class="html-bibr">47</a>].</p>
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<p>Distribution of the <span class="html-italic">SWT</span> parameter along a straight line emanating from the hole bisector for both loading blocks applied.</p>
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<p>Numerical predictions versus experimental results of da/dN for the CT specimen with hole.</p>
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22 pages, 12725 KiB  
Article
Application of the Hydrocarbon Generation Potential Method in Resource Potential Evaluation: A Case Study of the Qiongzhusi Formation in the Sichuan Basin, China
by Hanxuan Yang, Chao Geng, Majia Zheng, Zhiwei Zheng, Hui Long, Zijing Chang, Jieke Li, Hong Pang and Jian Yang
Processes 2024, 12(12), 2928; https://doi.org/10.3390/pr12122928 (registering DOI) - 21 Dec 2024
Viewed by 360
Abstract
Global recoverable shale gas reserves are estimated to be 214.5 × 1012 m3. Estimation methods for shale gas resources, such as volumetric, analog, and genetic approaches, have been widely used in previous studies. However, these approaches have notable limitations, including [...] Read more.
Global recoverable shale gas reserves are estimated to be 214.5 × 1012 m3. Estimation methods for shale gas resources, such as volumetric, analog, and genetic approaches, have been widely used in previous studies. However, these approaches have notable limitations, including the substantial effect of rock heterogeneity, difficulties in determining the similarity of analog accumulations, and unsuitability for evaluating high-mature–overmature source rocks. In the Qiongzhusi Formation (Є1q) of the Sichuan Basin, China, extensive development of high-mature–overmature shales has led to significant advancements in conventional and unconventional shale gas exploration. This progress highlights the need for the development of an integrated evaluation system for conventional and unconventional resources. Hence, this study uses the whole petroleum system theory and an improved hydrocarbon generation potential method to analyze the distribution patterns of hydrocarbon generation, retention, and expulsion during various stages of oil and gas accumulation in the Є1q. In addition, it assesses the resource potential of conventional and shale oil and gas. Hydrocarbon generation and expulsion centers are favorable exploration targets for conventional oil and gas, primarily located in the central and northern regions of the Mianyang—Changning rift trough, with an estimated resource potential of 6560 × 1012 m3. Hydrocarbon retention centers represent promising targets for shale oil and gas exploration, concentrated in the central Mianyang—Changning rift trough, with a resource potential of 287 × 1012 m3. This study provides strategic guidance for future oil and gas exploration in the Є1q and offers a methodological reference for integrated resource assessments of conventional and unconventional oil and gas systems of high-mature–overmature source rocks in similar basins worldwide. Full article
(This article belongs to the Special Issue Model of Unconventional Oil and Gas Exploration)
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Figure 1

Figure 1
<p>(<b>a</b>) Location and structural map of the Sichuan Basin. (<b>b</b>) Lithological characteristics of the <span class="html-italic">Є</span> and <span class="html-italic">S</span> systems in the Sichuan Basin. (<b>c</b>) Key cross-sectional profile o across the rift trough (profile line shown in (<b>a</b>) as A,A′).</p>
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<p>Schematic explanation of different scenarios of the Δlog<span class="html-italic">R</span> stacking technology modified by Bian Leibo [<a href="#B37-processes-12-02928" class="html-bibr">37</a>].</p>
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<p>Schematic of the HGP method.</p>
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<p>(<b>a</b>) Δlog<span class="html-italic">R</span> curve and TOC-content predictions for the Z201 well. (<b>b</b>) Fitting relationship between Δlog<span class="html-italic">R</span> and measured TOC content for the Z201 well. (<b>c</b>) Correlation analysis between measured TOC content and Δlog<span class="html-italic">R</span>-method-predicted TOC content.</p>
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<p>(<b>a</b>) Contour map of the effective thickness of source rocks in the Є1q. (<b>b</b>) TOC-content contour map.</p>
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<p>Sedimentary burial history and thermal evolution history of the GS1 well.</p>
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<p><span class="html-italic">R</span><sub>o</sub> contour map of the Є1q during (<b>a</b>) the <span class="html-italic">O</span>–<span class="html-italic">S</span> period, (<b>b</b>) the <span class="html-italic">P</span>–<span class="html-italic">T</span> period, and (<b>c</b>) the <span class="html-italic">J</span> period.</p>
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<p>(<b>a</b>) Microscopic component content and type discrimination diagrams of OM samples. (<b>b</b>) Evolution curves of the GPI for five representative basins in China: types I, II, and III OM. (<b>c</b>) GPI and HI evolution curves of the Є1q source rocks. (<b>d</b>) Evolution curves of the hydrocarbon generation, expulsion, and retention rates of the Є1q source rocks.</p>
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<p>TOC-content contour maps for the (<b>a</b>) <span class="html-italic">O</span>–<span class="html-italic">S</span>, (<b>b</b>) <span class="html-italic">P</span>–<span class="html-italic">T</span>, and (<b>c</b>) <span class="html-italic">J</span> periods.</p>
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<p>Distribution characteristics of <span class="html-italic">I</span><sub>g</sub> of the Є1q source rocks in the (<b>a</b>) <span class="html-italic">O</span>–<span class="html-italic">S</span> period, (<b>d</b>) <span class="html-italic">P</span>–<span class="html-italic">T</span> period, and (<b>g</b>) <span class="html-italic">J</span> period. Distribution features of <span class="html-italic">I</span><sub>e</sub> of the Є1q source rocks in the (<b>b</b>) <span class="html-italic">O</span>–<span class="html-italic">S</span> period, (<b>e</b>) <span class="html-italic">P</span>–<span class="html-italic">T</span> period, and (<b>h</b>) <span class="html-italic">J</span> period. Distribution features of <span class="html-italic">I</span><sub>r</sub> of the Є1q source rock in the (<b>c</b>) <span class="html-italic">O</span>–<span class="html-italic">S</span> period, (<b>f</b>) <span class="html-italic">P</span>–<span class="html-italic">T</span> period, and (<b>i</b>) <span class="html-italic">J</span> period.</p>
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<p>Statistical diagram of hydrocarbon generation, retention, and expulsion resources during various key periods related to the Є1q.</p>
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<p>Comprehensive evaluation diagram in the Є1q of A1 well.</p>
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22 pages, 3214 KiB  
Article
Relative Biological Effectiveness (RBE) of Monoenergetic Protons: Comparison of Empirical and Biophysical Models
by Dimitris Dalalas, Alexis Papadopoulos, Ioanna Kyriakou, Robert D. Stewart, Pantelis Karaiskos and Dimitris Emfietzoglou
Appl. Sci. 2024, 14(24), 11981; https://doi.org/10.3390/app142411981 (registering DOI) - 20 Dec 2024
Viewed by 376
Abstract
A constant proton relative biological effectiveness (RBE) of 1.1 for tumor control is currently used in proton therapy treatment planning. However, in vitro, in vivo and clinical experiences indicate that proton RBE varies with kinetic energy and, therefore, tissue depth within proton Bragg [...] Read more.
A constant proton relative biological effectiveness (RBE) of 1.1 for tumor control is currently used in proton therapy treatment planning. However, in vitro, in vivo and clinical experiences indicate that proton RBE varies with kinetic energy and, therefore, tissue depth within proton Bragg peaks. A number of published RBE models capture variations in proton RBE with depth. The published models can be sub-divided into empirical (or phenomenological) and biophysical (or mechanistic-inspired) RBE models. Empirical RBE models usually characterize the beam quality through the dose-averaged linear energy transfer (LETD), while most biophysical RBE models relate RBE to the dose-averaged lineal energy (yD). In this work, an analytic microdosimetry model and the Monte Carlo damage simulation code (MCDS) were utilized for the evaluation of the LETD and yD of monoenergetic proton beams in the clinically relevant energy range of 1–250 MeV. The calculated LETD and yD values were then used for the estimation of the RBE for five different cell types at three dose levels (2 Gy, 5 Gy and 7 Gy). Comparisons are made between nine empirical RBE models and two biophysical models, namely, the theory of dual radiation action (TDRA) and the microdosimetric kinetic model (MKM). The results show that, at conventional dose fractions (~2 Gy) and for proton energies which correspond to the proximal and central regions of the spread-out Bragg peak (SOBP), RBE varies from 1.0 to 1.2. At lower proton energies related to the distal SOBP, we find significant deviations from a constant RBE of 1.1, especially for late-responding tissues (low (α/β)R of ~1.5–3.5 Gy) where proton RBE may reach 1.3 to 1.5. For hypofractionated dose fractions (5–7 Gy), deviations from a constant RBE of 1.1 are smaller, but may still be sizeable, yielding RBE values between 1.15 and 1.3. However, large discrepancies among the different models were observed that make the selection of a variable RBE across the SOBP uncertain. Full article
(This article belongs to the Section Applied Physics General)
21 pages, 6925 KiB  
Article
Nonlinear Orbit Acquisition and Maintenance of a Lunar Navigation Constellation Using Low-Thrust Propulsion
by Edoardo Maria Leonardi, Giulio De Angelis and Mauro Pontani
Aerospace 2024, 11(12), 1046; https://doi.org/10.3390/aerospace11121046 (registering DOI) - 20 Dec 2024
Viewed by 301
Abstract
In this research, a feedback nonlinear control law was designed and tested to perform acquisition and station-keeping maneuvers for a lunar navigation constellation. Each satellite flies an Elliptical Lunar Frozen Orbit (ELFO) and is equipped with a steerable and throttleable low-thrust propulsion system. [...] Read more.
In this research, a feedback nonlinear control law was designed and tested to perform acquisition and station-keeping maneuvers for a lunar navigation constellation. Each satellite flies an Elliptical Lunar Frozen Orbit (ELFO) and is equipped with a steerable and throttleable low-thrust propulsion system. Lyapunov stability theory was employed to design a real-time feedback control law, capable of tracking all orbital elements (including the true anomaly), expressed in terms of modified equinoctial elements (MEEs). Unlike previous research, control synthesis was developed in the complete nonlinear dynamical model, and allows for driving the spacecraft toward a time-varying desired state, which includes correct phasing. Orbit propagation was performed in a high-fidelity framework, which incorporated several relevant harmonics of the selenopotential, as well as third-body effects due to the gravitational pull of the Earth and Sun. The control strategy at hand was successfully tested through two Monte Carlo campaigns in the presence of nonnominal flight conditions related to estimation errors of orbit perturbations, accompanied by the temporary unavailability and misalignment of the propulsive thrust. Full article
(This article belongs to the Special Issue Deep Space Exploration)
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Figure 1
<p>Time histories of <span class="html-italic">a</span> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <span class="html-italic">e</span> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <span class="html-italic">i</span> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <math display="inline"><semantics> <mi mathvariant="normal">Ω</mi> </semantics></math> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <math display="inline"><semantics> <mi>ω</mi> </semantics></math> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <math display="inline"><semantics> <mrow> <mo>∆</mo> <msup> <mi>θ</mi> <mo>∗</mo> </msup> </mrow> </semantics></math> across 100 Monte Carlo simulations.</p>
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<p>Time histories of <math display="inline"><semantics> <msub> <mi>x</mi> <mn>7</mn> </msub> </semantics></math> (mass ratio) across 100 Monte Carlo simulations.</p>
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<p>Misaligned thrust vector with azimuthal (<math display="inline"><semantics> <mi>β</mi> </semantics></math>) and elevation (<math display="inline"><semantics> <mi>γ</mi> </semantics></math>) angles.</p>
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<p>Time histories of <span class="html-italic">a</span> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <span class="html-italic">e</span> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <span class="html-italic">i</span> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <math display="inline"><semantics> <mi mathvariant="normal">Ω</mi> </semantics></math> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <math display="inline"><semantics> <mi>ω</mi> </semantics></math> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <math display="inline"><semantics> <mrow> <mo>∆</mo> <msup> <mi>θ</mi> <mo>∗</mo> </msup> </mrow> </semantics></math> across 100 Monte Carlo simulations with nonnominal conditions.</p>
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<p>Time histories of <math display="inline"><semantics> <msub> <mi>x</mi> <mn>7</mn> </msub> </semantics></math> (mass ratio) across 100 Monte Carlo simulations with nonnominal conditions.</p>
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19 pages, 7686 KiB  
Article
Application of the Entropy Model to Estimate Flow Discharge and Bed Load Transport with Limited Field Measurements
by Farhad Bahmanpouri, Anshul Yadav, Christian Massari, Domenico De Santis, Ashutosh Sharma, Ankit Agarwal, Sumit Sen, Luigi Fraccarollo, Tommaso Moramarco and Silvia Barbetta
Water 2024, 16(24), 3684; https://doi.org/10.3390/w16243684 (registering DOI) - 20 Dec 2024
Viewed by 256
Abstract
Sediment transport can be observed within the flow of water in rivers, canals, and coastal regions, encompassing both suspended-load transport and bed-load transport. Bed-load transport specifically occurs near the riverbed, playing a crucial role in the formation of the riverbed itself. The current [...] Read more.
Sediment transport can be observed within the flow of water in rivers, canals, and coastal regions, encompassing both suspended-load transport and bed-load transport. Bed-load transport specifically occurs near the riverbed, playing a crucial role in the formation of the riverbed itself. The current study aimed to explore the process of sediment transport by employing the entropy concept as a theoretical approach. To this end, field data collected using a current meter in the Alaknanda River at Srinagar in India were utilized. A comparison was made between the calculated mean velocity and discharge values and the observed data obtained from the Central Water Commission (CWC), demonstrating a maximum error percentage of 9%. Subsequently, shear velocity was determined for various cross-sections under different flow scenarios. The Shields parameter was then derived from the shear-velocity distribution to evaluate the transport potential of the sediment particles. The model results showed varying bed-load transport rates that increased as the particle size decreased and the discharge rate increased. In conclusion, the study findings highlight the efficacy of utilizing the entropy theory for estimating flow discharge and sediment transport in developing countries. Full article
(This article belongs to the Section Water Erosion and Sediment Transport)
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Figure 1
<p>Study area. (<b>a</b>) Alaknanda River Basin map illustrating its elevation ranges; (<b>b</b>) aerial photography from study area showing low flow condition and discharge of 355.4 m<sup>3</sup>/s (horizontal scale); (<b>c</b>) grain size distribution (GSD) of bed particles.</p>
Full article ">Figure 1 Cont.
<p>Study area. (<b>a</b>) Alaknanda River Basin map illustrating its elevation ranges; (<b>b</b>) aerial photography from study area showing low flow condition and discharge of 355.4 m<sup>3</sup>/s (horizontal scale); (<b>c</b>) grain size distribution (GSD) of bed particles.</p>
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<p>Cross-sectional distribution of velocity based on entropy model (low-flow condition). <span class="html-italic">U</span><sub>0.6<span class="html-italic">D</span></sub> is shown by a black star symbol. (<b>a</b>) Based on parabolic surface-velocity distribution; (<b>b</b>) based on elliptic surface-velocity distribution.</p>
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<p>Cross-sectional distribution of velocity based on entropy model (moderate-flow condition). <span class="html-italic">U</span><sub>0.6<span class="html-italic">D</span></sub> is shown by a black star symbol. (<b>a</b>) Based on parabolic surface-velocity distribution; (<b>b</b>) based on elliptic surface-velocity distribution.</p>
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<p>Cross-sectional distribution of velocity based on entropy model (high-flow condition). <span class="html-italic">U</span><sub>0.6<span class="html-italic">D</span></sub> is shown by a black star symbol. (<b>a</b>) Based on parabolic surface-velocity distribution; (<b>b</b>) based on elliptic surface-velocity distribution.</p>
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<p>Distribution of the dimensionless bed-load transport rate (high-flow condition). (<b>a</b>) Parabolic scenario; (<b>b</b>) elliptic scenario.</p>
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<p>Relationship between Shields parameter and dimensionless bed-load transport rate.</p>
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<p>Distribution of dimensionless bed-load transport rate and mean and shear velocities for different flow conditions. (<b>a</b>) Mean velocity; (<b>b</b>) shear velocity; (<b>c</b>) dimensionless bed-load transport.</p>
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<p>Distribution of dimensionless bed-load transport rate and mean and shear velocities for different flow conditions. (<b>a</b>) Mean velocity; (<b>b</b>) shear velocity; (<b>c</b>) dimensionless bed-load transport.</p>
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<p>Vertical velocity distribution at two transverse locations of 0.3 W (<b>left</b>) and 0.7 W (<b>right</b>) for each flow condition. (<b>a</b>) High-flow condition; (<b>b</b>) moderate-flow condition; (<b>c</b>) low-flow condition.</p>
Full article ">Figure A1 Cont.
<p>Vertical velocity distribution at two transverse locations of 0.3 W (<b>left</b>) and 0.7 W (<b>right</b>) for each flow condition. (<b>a</b>) High-flow condition; (<b>b</b>) moderate-flow condition; (<b>c</b>) low-flow condition.</p>
Full article ">
20 pages, 775 KiB  
Article
Distributed Consensus Control for Discrete-Time T–S Fuzzy Multiple-Agent Systems Based on an Unknown Input Observer
by Xufeng Ling, Haichuan Xu, Weijie Weng and Fanglai Zhu
Sensors 2024, 24(24), 8149; https://doi.org/10.3390/s24248149 - 20 Dec 2024
Viewed by 173
Abstract
This paper investigates a consensus problem for a class of T–S fuzzy multiple-agent systems (MASs) with unknown input (UI). To begin with, an unknown input observer (UIO) is able to asymptotically estimate the system state and the UI is designed for each agent. [...] Read more.
This paper investigates a consensus problem for a class of T–S fuzzy multiple-agent systems (MASs) with unknown input (UI). To begin with, an unknown input observer (UIO) is able to asymptotically estimate the system state and the UI is designed for each agent. In order to construct the UIO, the state interval estimation is obtained by first using zonotope theory. Next, using the interval estimation of the state, a correlation of the state and the UI is built. Subsequently, a UIO is constructed, which is proposed by building upon the algebraic relationship. Moreover, by using the estimations of the state and the UI, a distributed control protocol is developed based on the proposed UIO. And, with the proposed distributed control protocol, the T–S fuzzy MAS can achieve consensus, in that all the states of the agents can converge to the leader’s state asymptotically. Finally, the effectiveness of the proposed method is demonstrated through two simulation examples. Full article
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Figure 1

Figure 1
<p>Communication graph.</p>
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<p>The UIO−based distributed control consensus performance in Example 1.</p>
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<p>The interval estimation performance in Example 1.</p>
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<p>The UIR performance in Example 1.</p>
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<p>The state estimation performances for UIO (19) in Example 1.</p>
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<p>The state estimation performances for Luenberger-like Observer (4) in Example 1.</p>
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<p>The UIO−based distributed control consensus performance in Example 2.</p>
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<p>The interval estimation performance in Example 2.</p>
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<p>The UIR performance in Example 2.</p>
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<p>The state estimation performances for UIO (19) in Example 2.</p>
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<p>The state estimation performances for Luenberger-like Observer (4) in Example 2.</p>
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14 pages, 289 KiB  
Article
Analysis of Optimal Prediction Under Stochastically Restricted Linear Model and Its Subsample Models
by Nesrin Güler
Axioms 2024, 13(12), 882; https://doi.org/10.3390/axioms13120882 - 19 Dec 2024
Viewed by 275
Abstract
This paper provides a study on optimal prediction problems in a linear model and its subsample models with linear stochastic restrictions, using matrix theory for precise analytical solutions. It focuses on deriving analytical expressions using block matrix inertia and rank methods to determine [...] Read more.
This paper provides a study on optimal prediction problems in a linear model and its subsample models with linear stochastic restrictions, using matrix theory for precise analytical solutions. It focuses on deriving analytical expressions using block matrix inertia and rank methods to determine which of the best linear unbiased predictors (BLUPs) of a general vector of unknown parameters is superior to others under a stochastically restricted linear model and its subsample models. Additionally, this study examines the comparative results of the best linear unbiased estimators of unknown parameters. The comparisons in the study are based on the mean squared error matrix (MSEM) criterion. Finally, a numerical example is given to illustrate the theoretical results. Full article
(This article belongs to the Special Issue Stochastic and Statistical Analysis in Natural Sciences)
22 pages, 4068 KiB  
Article
Trajectory Tracking of a 2-Degrees-of-Freedom Serial Flexible Joint Robot Using an Active Disturbance Rejection Controller Approach
by Mario Ramŕez-Neria, Gilberto Ochoa-Ortega, Alejandro Toro-Ossaba, Eduardo G. Hernandez-Martinez, Alexandro López-González and Juan C. Tejada
Mathematics 2024, 12(24), 3989; https://doi.org/10.3390/math12243989 - 18 Dec 2024
Viewed by 244
Abstract
This paper presents the development of an Active Disturbance Rejection Controller (ADRC) to address the trajectory tracking problem of a 2DOF (Degrees of Freedom) Serial Flexible Robot. The proposed approach leverages differential flatness theory to determine the system’s flat output, simplifying the trajectory [...] Read more.
This paper presents the development of an Active Disturbance Rejection Controller (ADRC) to address the trajectory tracking problem of a 2DOF (Degrees of Freedom) Serial Flexible Robot. The proposed approach leverages differential flatness theory to determine the system’s flat output, simplifying the trajectory tracking problem into a linear state feedback control with disturbance rejection. A set of a Generalized Proportional Integral Observer (GPIO) and Luenberger observers is employed to estimate the derivatives of the flat output and both internal and external disturbances in real time. The control law is experimentally validated on a 2DOF Serial Flexible Robot prototype developed by Quanser. Quantitative results demonstrate that the ADRC achieves superior performance compared to a partial state feedback control scheme, with a Mean Squared Error (MSE) as low as 1.0651 × 10−5 rad2 for trajectory tracking. The ADRC effectively suppresses oscillations, minimizes high-frequency noise and reduces saturation effects, even under external disturbances. These findings underscore the robustness and efficiency of the proposed method for underactuated flexible systems. Full article
(This article belongs to the Special Issue Advanced Control Systems and Engineering Cybernetics)
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<p>Quanser 2DOF Serial Flexible Joint Robot.</p>
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<p>Schematic representation for SRFJ.</p>
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<p>Decoupled schema for SRFJ.</p>
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<p>Luenberger observer and GPIOs.</p>
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<p>Quanser 2DOF Serial Flexible Joint Robot.</p>
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<p>Partial state feedback controller. (<b>a</b>) <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>11</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> stage 1 with the PSF controller. (<b>b</b>) Control current of stage 1 with the PSF controller.</p>
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<p>Partial state feedback controller. (<b>a</b>) <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>21</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with PSF controller. (<b>b</b>) Control current of stage 2 with PSF controller.</p>
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<p>LQR controller. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with LQR controller. (<b>b</b>) Trajectory error of stage 1 with LQR controller.</p>
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<p>LQR controller. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>11</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with LQR controller. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>1</mn> </mrow> </msub> </semantics></math> of stage 1 with LQR.</p>
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<p>LQR controller. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with LQR controller. (<b>b</b>) Trajectory error of stage 2 with LQR controller.</p>
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<p>LQR controller. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>21</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with LQR controller. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>2</mn> </mrow> </msub> </semantics></math> of stage 2 with LQR.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of flat output <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with ADRC. (<b>b</b>) Trajectory error of stage 1 with ADRC controller.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>11</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with ADRC. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>1</mn> </mrow> </msub> </semantics></math> of stage 1 with ADRC.</p>
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<p>Disturbance estimation <math display="inline"><semantics> <msub> <mover accent="true"> <mi>z</mi> <mo stretchy="false">^</mo> </mover> <mn>15</mn> </msub> </semantics></math> of stage 1 with ADRC.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of flat output <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with ADRC. (<b>b</b>) Trajectory error of stage 2 with ADRC controller.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>21</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with ADRC. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>2</mn> </mrow> </msub> </semantics></math> of stage 2 with ADRC.</p>
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<p>Disturbance estimation <math display="inline"><semantics> <msub> <mover accent="true"> <mi>z</mi> <mo stretchy="false">^</mo> </mover> <mn>25</mn> </msub> </semantics></math> of stage 2 with ADRC.</p>
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<p>The distribution of masses in the experiment with the external disturbances.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of flat output <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with ADRC. (<b>b</b>) Trajectory error of stage 1 with ADRC controller.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>11</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>12</mn> </msub> </semantics></math> of stage 1 with ADRC. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>1</mn> </mrow> </msub> </semantics></math> of stage 1 with ADRC.</p>
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<p>Disturbance estimation <math display="inline"><semantics> <msub> <mover accent="true"> <mi>z</mi> <mo stretchy="false">^</mo> </mover> <mn>15</mn> </msub> </semantics></math> of stage 1 with ADRC.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of flat output <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with ADRC. (<b>b</b>) Trajectory error of stage 2 with ADRC controller.</p>
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<p>ADRC. (<b>a</b>) Trajectory tracking of <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>21</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>θ</mi> <mn>22</mn> </msub> </semantics></math> of stage 2 with ADRC. (<b>b</b>) Control current <math display="inline"><semantics> <msub> <mi>I</mi> <mrow> <mi>m</mi> <mn>2</mn> </mrow> </msub> </semantics></math> of stage 2 with ADRC.</p>
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<p>Disturbance estimation <math display="inline"><semantics> <msub> <mover accent="true"> <mi>z</mi> <mo stretchy="false">^</mo> </mover> <mn>25</mn> </msub> </semantics></math> of stage 2 with ADRC.</p>
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24 pages, 19392 KiB  
Article
Platinum Compound on Gold–Magnesia Hybrid Structure: A Theoretical Investigation on Adsorption, Hydrolysis, and Interaction with DNA Purine Bases
by Zhenjun Song, Mingyue Liu, Aiguo Zhong, Meiding Yang, Zhicai He, Wenmin Wang and Hongdao Li
Nanomaterials 2024, 14(24), 2027; https://doi.org/10.3390/nano14242027 - 17 Dec 2024
Viewed by 301
Abstract
Cisplatin-based platinum compounds are important clinical chemotherapeutic agents that participate in most tumor chemotherapy regimens. Through density-functional theory calculations, the formation and stability of the inorganic oxide carrier, the mechanisms of the hydrolysis reaction of the activated platinum compound, and its binding mechanism [...] Read more.
Cisplatin-based platinum compounds are important clinical chemotherapeutic agents that participate in most tumor chemotherapy regimens. Through density-functional theory calculations, the formation and stability of the inorganic oxide carrier, the mechanisms of the hydrolysis reaction of the activated platinum compound, and its binding mechanism with DNA bases can be studied. The higher the oxidation state of Pt (II to IV), the more electrons transfer from the magnesia–gold composite material to the platinum compound. After adsorption on the composite carrier, 5d←2p coordination bonds of Pt-N are strengthened. For flat and oblique adsorption modes of cisplatin, there is no significant difference in the density of states of the gold and magnesium oxide film, indicating the maintenance of the heterojunction structural framework. However, there are significant changes in the electronic states of cisplatin itself with different adsorption configurations. In the flat configuration, the band gap width of cisplatin is larger than that of the oblique configuration. The Cl-Pt bond range in the Pt(III) compound shows a clear charge reduction on the magnesia film, indicating the Cl-Pt bond is an active site with the potential for decomposition and hydrolysis. The substitution of chloride ions by water can lead to hydrolysis products, enhancing the polarization of the composite and showing strong charge separation. The hydrolysis of the free platinum compound is endothermic by 0.309 eV, exceeding the small activation energy barrier of 0.399 eV, indicating that hydrolysis of this platinum compound is easily achievable. ADME (absorption, distribution, metabolism, and excretion) prediction parameters indicate that hydrolysis products have good ESOL (Estimated SOLubility) solubility and high gastrointestinal absorption, consistent with Lipinski’s rule. During the coordination reaction process, there are significant changes in the distribution of frontier molecular orbitals, with the HOMO (highest occupied molecular orbital) of the initial state primarily located on the purine base, providing the possibility for electron transfer to the empty orbitals of the platinum compound in the LUMO (lowest unoccupied molecular orbital). The HOMO and HOMO-1 of the transition state and product are mainly distributed on the platinum compound, indicating clear electron transfer and orbital rearrangement. The activation energy barrier for the purine coordination reaction with the hydrolysis products is reduced to 0.61 eV, and the dipole moment gradually decreases to 6.77 Debye during the reaction, indicating a reduction in the system’s charge separation and polarization. This contribution is anticipated to provide a new theoretical clue for developing inorganic oxide carriers of platinum compounds. Full article
(This article belongs to the Section Biology and Medicines)
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<p>The structure and charge population of gold (111) film fully optimized with gamma point and (2 × 2 × 1) k-point meshing. The Au-Au distances and charges in parentheses correspond to the values obtained at denser (2 × 2 × 1) k-point meshing.</p>
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<p>The structure and charge population of gold (111)-supported magnesia (111) film. (<b>a</b>,<b>b</b>) correspond to the stable equilibrium structure, while (<b>c</b>,<b>d</b>) correspond to the unstable structure with perpendicular gold-oxygen bonds. Green and red balls represent magnesium and oxygen atoms, and the pink, cyan, and brown balls represent top-layer, second-layer, and bottom-two-layer gold atoms.</p>
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<p>The differential charge density contour with charge density isosurface value of 0.001 e Bohr<sup>−3</sup> (<b>a</b>,<b>b</b>) and localized density of states for gold (111)-supported magnesia (111) film (<b>c</b>). The yellow and cyan slices represent electron accumulation and electron depletion areas, respectively.</p>
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<p>Adsorption and transformation of cisplatin compound on gold-supported 1 ML ultrathin magnesia (111). The Gibbs free energies are shown relative to the ground-state molecular adsorption state with flat adsorption configuration and Gibbs free energy of −380.373 eV. The white, blue, red, purple-, green-, cyan-, and yellow-colored balls stand for H, N, O, Cl, Mg, Pt, and Au, respectively.</p>
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<p>Charge density contours with isosurface value 0.05 e Bohr<sup>−3</sup> (<b>a</b>), highest occupied molecular orbital and lowest unoccupied molecular orbital of cisplatin molecule (<b>b</b>), and differential charge density contours (<b>c</b>) with isosurface value 0.001 e Bohr<sup>−3</sup>. For differential charge density, the isosurfaces colored in turquoise and dark yellow represent charge accumulation and depletion, respectively.</p>
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<p>Localized density of states of platinum central ion, coordinated ammonia nitrogen, chloride ions, magnesium, oxygen, and gold slab for flat adsorption configuration (<b>a</b>,<b>b</b>) and oblique adsorption configuration (<b>c</b>,<b>d</b>).</p>
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<p>Charge density contours with isosurface value 0.15 e Bohr<sup>−3</sup> (<b>a</b>) and differential charge density contours with isosurface value 0.003 e Bohr<sup>−3</sup> (<b>b</b>) for Pt(III) compound adsorption on gold-supported magnesia (111) film. The isosurfaces colored in dark yellow and turquoise represent charge accumulation and charge depletion, respectively.</p>
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<p>The hydrolysis of adsorbed cisplatin occurs gradually by water substitution. The assumed structure for water adsorption with oxygen linked with platinum (<b>a</b>), the optimized structure for water adsorption with hydrogen linked with platinum (<b>b</b>), water adsorption on ammonia (<b>c</b>), the water substitution structure (<b>d</b>), the water adsorption energy (<b>e</b>) and Bader charge for structural sites of water adsorption on platinum (<b>f</b>) and hydrolysis product (<b>g</b>).</p>
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<p>Potential energy diagram for hydrolysis reaction for Pt(III) compound on magnesia film. Structural models show relaxed structures for water adsorption on ammonia ligand (initial state), transition state, and water substitution product. The star * represents adsorption site.</p>
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<p>Potential energy diagram for the hydrolysis reaction in the first step for a free Pt(III) compound. Structural models show relaxed structures for water adsorption on ammonia ligands (initial state), transition state (TS), and water-substituted product.</p>
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<p>Potential energy diagram for second step hydrolysis reaction for free Pt(III) compound. Structural models show relaxed structures for water adsorption on ammonia ligand (initial state), transition state (TS), and water-substituted product.</p>
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<p>Potential energy diagram for guanine interaction with the Pt(III) compound. Relaxed structures for physical adduct with hydrogen bonding (initial state), transition state (TS), and the formation of coordination bond (final state).</p>
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<p>The optimized structures with dipole moment vectors (shown in red arrows), LUMO and HOMO frontier orbitals for reactant (IS), transition state (TS), and final product (FS, (<b>a</b>)); the electron spin density for reactant (<b>b</b>) and final product (<b>c</b>); the platinum NBO charge population (<b>d</b>), enthalpy diagram (<b>e</b>), N(Guanine)-Pt distance (<b>f</b>) and dipole moment analysis (<b>g</b>). The isosurface values for molecular orbital and electronic density are 0.02 and 0.0004, respectively.</p>
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<p>Temperature influence on the energetics (<span class="html-italic">U, H, G</span>) of primary platinum hydrolysis species (<b>a</b>), the initial reactant adduct (<b>b</b>), the coordination product (<b>c</b>), and the coordination reaction energy of primary platinum hydrolysis species interacting with guanine (<b>d</b>).</p>
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<p>The energetics, dipole moment, Cl-Pt distance, Wiberg bond index, and N(5′-guanylic acid) Mulliken charge during coordination reaction between 5′-guanylic acid and platinum compound.</p>
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26 pages, 6416 KiB  
Article
Advanced Monocular Outdoor Pose Estimation in Autonomous Systems: Leveraging Optical Flow, Depth Estimation, and Semantic Segmentation with Dynamic Object Removal
by Alireza Ghasemieh and Rasha Kashef
Sensors 2024, 24(24), 8040; https://doi.org/10.3390/s24248040 - 17 Dec 2024
Viewed by 301
Abstract
Autonomous technologies have revolutionized transportation, military operations, and space exploration, necessitating precise localization in environments where traditional GPS-based systems are unreliable or unavailable. While widespread for outdoor localization, GPS systems face limitations in obstructed environments such as dense urban areas, forests, and indoor [...] Read more.
Autonomous technologies have revolutionized transportation, military operations, and space exploration, necessitating precise localization in environments where traditional GPS-based systems are unreliable or unavailable. While widespread for outdoor localization, GPS systems face limitations in obstructed environments such as dense urban areas, forests, and indoor spaces. Moreover, GPS reliance introduces vulnerabilities to signal disruptions, which can lead to significant operational failures. Hence, developing alternative localization techniques that do not depend on external signals is essential, showing a critical need for robust, GPS-independent localization solutions adaptable to different applications, ranging from Earth-based autonomous vehicles to robotic missions on Mars. This paper addresses these challenges using Visual odometry (VO) to estimate a camera’s pose by analyzing captured image sequences in GPS-denied areas tailored for autonomous vehicles (AVs), where safety and real-time decision-making are paramount. Extensive research has been dedicated to pose estimation using LiDAR or stereo cameras, which, despite their accuracy, are constrained by weight, cost, and complexity. In contrast, monocular vision is practical and cost-effective, making it a popular choice for drones, cars, and autonomous vehicles. However, robust and reliable monocular pose estimation models remain underexplored. This research aims to fill this gap by developing a novel adaptive framework for outdoor pose estimation and safe navigation using enhanced visual odometry systems with monocular cameras, especially for applications where deploying additional sensors is not feasible due to cost or physical constraints. This framework is designed to be adaptable across different vehicles and platforms, ensuring accurate and reliable pose estimation. We integrate advanced control theory to provide safety guarantees for motion control, ensuring that the AV can react safely to the imminent hazards and unknown trajectories of nearby traffic agents. The focus is on creating an AI-driven model(s) that meets the performance standards of multi-sensor systems while leveraging the inherent advantages of monocular vision. This research uses state-of-the-art machine learning techniques to advance visual odometry’s technical capabilities and ensure its adaptability across different platforms, cameras, and environments. By merging cutting-edge visual odometry techniques with robust control theory, our approach enhances both the safety and performance of AVs in complex traffic situations, directly addressing the challenge of safe and adaptive navigation. Experimental results on the KITTI odometry dataset demonstrate a significant improvement in pose estimation accuracy, offering a cost-effective and robust solution for real-world applications. Full article
(This article belongs to the Special Issue Sensors for Object Detection, Pose Estimation, and 3D Reconstruction)
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<p>Proposed Pipeline Architecture.</p>
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<p>Optical flow processed output sample for one sequence of frames.</p>
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<p>Sample output of depth estimation.</p>
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<p>Sample output of the semantic segmentation.</p>
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<p>Sample output of dynamic object and sky removal.</p>
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<p>Step-by-step preprocessing samples.</p>
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<p>Pose estimator architecture. I changed it and replaced the image.</p>
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<p>Train/Loss chart for the KITTI odometry dataset.</p>
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<p>The validation/Loss chart for the KITTI odometry dataset shows that the pose estimator can learn more rapidly by providing extra scene information, especially semantic segmentation, to add correction weight to each class of objects and remove dynamic ones from the estimations.</p>
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<p>Train and validation loss for different preprocessing stages, including no preprocessing, OF, OF with depth estimation, and OF with depth and semantic segmentation.</p>
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<p>Proposed model’s tracking experience output for the KITTI odometry dataset. The <span class="html-italic">X</span> and <span class="html-italic">Y</span>-axis units are in meters.</p>
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<p>Train/Loss with different learning rates.</p>
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<p>Validation/Loss with different learning rates.</p>
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17 pages, 1570 KiB  
Article
Backstepping-Based Nonsingular Terminal Sliding Mode Control for Finite-Time Trajectory Tracking of a Skid-Steer Mobile Robot
by Mulugeta Debebe Teji, Ting Zou and Dinku Seyoum Zeleke
Robotics 2024, 13(12), 180; https://doi.org/10.3390/robotics13120180 - 16 Dec 2024
Viewed by 422
Abstract
Skid-steer mobile robots (SSMRs) are ubiquitous in indoor and outdoor applications. Their accurate trajectory tracking control is quite challenging due to the uncertainties arising from the complex behavior of frictional force, external disturbances, and fluctuations in the instantaneous center of rotation (ICR) during [...] Read more.
Skid-steer mobile robots (SSMRs) are ubiquitous in indoor and outdoor applications. Their accurate trajectory tracking control is quite challenging due to the uncertainties arising from the complex behavior of frictional force, external disturbances, and fluctuations in the instantaneous center of rotation (ICR) during turning maneuvers. These uncertainties directly disturb velocities, hindering the robot from tracking the velocity command. This paper proposes a nonsingular terminal sliding mode control (NTSMC) based on backstepping for a four-wheel SSMR to cope with the aforementioned challenges. The strategy seeks to mitigate the impacts of external disturbances and model uncertainties by developing an adaptive law to estimate the integrated lumped outcome. The finite time stability of the closed-loop system is proven using Lyapunov’s theory. The designed NTSMC input is continuous and avoids noticeable chattering. It was noted in the simulation analysis that the proposed control strategy is strongly robust against disturbance and modeling uncertainties, demonstrating effective trajectory tracking performance in the presence of disturbance and modeling uncertainties. Full article
(This article belongs to the Special Issue Navigation Systems of Autonomous Underwater and Surface Vehicles)
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<p>SSMR with an ICR of <math display="inline"><semantics> <msub> <mi>X</mi> <mi>ICR</mi> </msub> </semantics></math>; kinematic parameters of <span class="html-italic">a</span>, <span class="html-italic">b</span>, and <span class="html-italic">c</span>; a robot heading angle of <math display="inline"><semantics> <mi>θ</mi> </semantics></math>; velocities at the center of mass (COM) of <math display="inline"><semantics> <mi>υ</mi> </semantics></math>, <math display="inline"><semantics> <msub> <mi>υ</mi> <mi>y</mi> </msub> </semantics></math>, and <math display="inline"><semantics> <mi>ω</mi> </semantics></math>; and velocity components of <math display="inline"><semantics> <msub> <mi>υ</mi> <mrow> <mi>i</mi> <mi>x</mi> </mrow> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>υ</mi> <mrow> <mi>i</mi> <mi>y</mi> </mrow> </msub> </semantics></math> with a velocity vector of <math display="inline"><semantics> <msub> <mi>υ</mi> <mi mathvariant="bold-italic">i</mi> </msub> </semantics></math> for the <math display="inline"><semantics> <mrow> <mi>i</mi> <mi>th</mi> </mrow> </semantics></math> wheel for <math display="inline"><semantics> <mrow> <mi>i</mi> <mo>=</mo> <mn>1</mn> <mo>,</mo> <mo>…</mo> <mo>,</mo> <mn>4</mn> </mrow> </semantics></math>.</p>
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<p>The complete proposed control with reference velocities (<math display="inline"><semantics> <msub> <mi mathvariant="bold-italic">q</mi> <mi mathvariant="bold-italic">ref</mi> </msub> </semantics></math>) of <math display="inline"><semantics> <msub> <mi>υ</mi> <mrow> <mi>r</mi> <mi>e</mi> <mi>f</mi> </mrow> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>ω</mi> <mrow> <mi>r</mi> <mi>e</mi> <mi>f</mi> </mrow> </msub> </semantics></math>, an actual robot pose of <math display="inline"><semantics> <mi mathvariant="bold-italic">q</mi> </semantics></math>, a transformation matrix of <math display="inline"><semantics> <mrow> <mi mathvariant="bold-italic">T</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math>, an outer-loop position error of <math display="inline"><semantics> <mi mathvariant="bold-italic">e</mi> </semantics></math> with a backstepping control of <math display="inline"><semantics> <msub> <mover accent="true"> <mi mathvariant="bold-italic">z</mi> <mo>˙</mo> </mover> <mi mathvariant="bold-italic">c</mi> </msub> </semantics></math>, an inner-loop velocity error of <math display="inline"><semantics> <msub> <mover accent="true"> <mi mathvariant="bold-italic">e</mi> <mo>˙</mo> </mover> <mi>z</mi> </msub> </semantics></math> with a NTSMC of <math display="inline"><semantics> <mi mathvariant="bold-italic">τ</mi> </semantics></math>, and a torque disturbance of <math display="inline"><semantics> <msub> <mi mathvariant="bold-italic">τ</mi> <mi mathvariant="bold-italic">d</mi> </msub> </semantics></math>.</p>
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<p>The time histories of the command velocity (<math display="inline"><semantics> <msub> <mi>υ</mi> <mi>c</mi> </msub> </semantics></math>) and the true velocity (<math display="inline"><semantics> <mi>υ</mi> </semantics></math>) during simulation.</p>
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<p>The time histories of the angular velocity command (<math display="inline"><semantics> <msub> <mi>ω</mi> <mi>c</mi> </msub> </semantics></math>) and the true angular velocity (<math display="inline"><semantics> <mi>ω</mi> </semantics></math>) during simulation.</p>
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<p>A comparison between the desired robot pose (<math display="inline"><semantics> <msub> <mi mathvariant="bold-italic">q</mi> <mi mathvariant="bold-italic">ref</mi> </msub> </semantics></math>) and the actual pose (<math display="inline"><semantics> <mi mathvariant="bold-italic">q</mi> </semantics></math>) in the simulation.</p>
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<p>Robot’s trajectory following a desired circular path.</p>
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<p>Input torque produced by the left side of the wheel (<math display="inline"><semantics> <msub> <mi>τ</mi> <mi>L</mi> </msub> </semantics></math>) and the right side of the wheel (<math display="inline"><semantics> <msub> <mi>τ</mi> <mi>R</mi> </msub> </semantics></math>).</p>
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<p>The time history of sliding surfaces <math display="inline"><semantics> <msub> <mi>S</mi> <mn>1</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>S</mi> <mn>2</mn> </msub> </semantics></math>.</p>
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29 pages, 4343 KiB  
Article
Determining Factors Affecting Agroecological Practices’ Acceptance and Use in Mali, West Africa
by Moumouni Sidibé, Afio Zannou, Idelphonse O. Saliou, Issa Sacko, Augustin K. N. Aoudji, Achille Ephrem Assogbadjo, Harouna Coulibaly and Bourema Koné
Sustainability 2024, 16(24), 11002; https://doi.org/10.3390/su162411002 - 15 Dec 2024
Viewed by 473
Abstract
Land degradation issues and declining fertility are driving the need for agroecological practices. This research analysed the determinants of acceptance and actual use of five main agroecological practices (contour farming techniques, organic fertiliser, crop association, improved seeds and integrated crop management practices) by [...] Read more.
Land degradation issues and declining fertility are driving the need for agroecological practices. This research analysed the determinants of acceptance and actual use of five main agroecological practices (contour farming techniques, organic fertiliser, crop association, improved seeds and integrated crop management practices) by farmers in Mali. The extended Unified Theory of Acceptance and Use of Technology (UTAUT) was used to develop the conceptual model. Data were collected from 505 randomly selected farming households in the cotton and cereal production zones in Mali. Partial Least Square–Structural Equation Modelling (PLS-SEM) was used to estimate technology acceptance and use. The findings revealed that behavioural intention is significantly and positively influenced by the expected performance and social influence. The expected effort is a key influential factor of the behavioural intention to adopt organic fertiliser. Experience has a mediating effect on the relationship between social influence and behavioural intention to adopt improved seeds adapted to the agroecological conditions. The actual use behaviour is directly and positively affected by the behavioural intention, facilitating conditions and expected net benefit. These findings align with the UTAUT model, have useful implications for both farmers and decision-makers and offer directions for technical approaches to agroecological practices’ development. Full article
(This article belongs to the Special Issue Sustainable Crop Production and Agricultural Practices)
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<p>Latent variables influencing the adoption of agroecological practices. Source: Adapted from [<a href="#B15-sustainability-16-11002" class="html-bibr">15</a>].</p>
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<p>Locations of the communes of Cinzana (<b>left</b>) and Kléla (<b>right</b>).</p>
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<p>Contour farming technique path coefficient results with original UTAUT (<b>a</b>) and extended UTAUT (<b>b</b>) models. *** <span class="html-italic">p</span> &lt; 0.01.</p>
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<p>Organic fertiliser path coefficient results with original UTAUT (<b>a</b>) and extended UTAUT (<b>b</b>) models. *** <span class="html-italic">p</span> &lt; 0.01, ** <span class="html-italic">p</span> &lt; 0.05.</p>
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<p>Crop association path coefficient results with original UTAUT model (<b>a</b>) and extended UTAUT model (<b>b</b>). *** <span class="html-italic">p</span> &lt; 0.01.</p>
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<p>ISEED-AE path coefficient results with original UTAUT model (<b>a</b>) and extended UTAUT model (<b>b</b>). *** <span class="html-italic">p</span> &lt; 0.01, ** <span class="html-italic">p</span> &lt; 0.05.</p>
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<p>Integrated crop management path coefficient results with original UTAUT (<b>a</b>) and extended UTAUT (<b>b</b>) models. *** <span class="html-italic">p</span> &lt; 0.01, ** <span class="html-italic">p</span> &lt; 0.05.</p>
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21 pages, 4985 KiB  
Article
DSSCs Sensitized with Phenothiazine Derivatives Containing 1H-Tetrazole-5-acrylic Acid as an Anchoring Unit
by Muhammad Faisal Amin, Paweł Gnida, Jan Grzegorz Małecki, Sonia Kotowicz and Ewa Schab-Balcerzak
Materials 2024, 17(24), 6116; https://doi.org/10.3390/ma17246116 - 14 Dec 2024
Viewed by 350
Abstract
Phenothiazine-based photosensitizers bear the intrinsic potential to substitute various expensive organometallic dyes owing to the strong electron-donating nature of the former. If coupled with a strong acceptor unit and the length of N-alkyl chain is appropriately chosen, they can easily produce high efficiency [...] Read more.
Phenothiazine-based photosensitizers bear the intrinsic potential to substitute various expensive organometallic dyes owing to the strong electron-donating nature of the former. If coupled with a strong acceptor unit and the length of N-alkyl chain is appropriately chosen, they can easily produce high efficiency levels in dye-sensitized solar cells. Here, three novel D-A dyes containing 1H-tetrazole-5-acrylic acid as an acceptor were synthesized by varying the N-alkyl chain length at its phenothiazine core and were exploited in dye-sensitized solar cells. Differential scanning calorimetry showed that the synthesized phenothiazine derivatives exhibited behavior characteristic of molecular glasses, with glass transition and melting temperatures in the range of 42–91 and 165–198 °C, respectively. Based on cyclic and differential pulse voltammetry measurements, it was evident that their lowest unoccupied molecular orbital (LUMO) (−3.01–−3.14 eV) and highest occupied molecular orbital (HOMO) (−5.28–−5.33 eV) values were fitted to the TiO2 conduction band and the redox energy of I/I3 in electrolyte, respectively. The experimental results were supported by density functional theory, which was also utilized for estimation of the adsorption energy of the dyes on the TiO2 and its size. Finally, the compounds were tested in dye-sensitized solar cells, which were characterized based on current–voltage measurements. Additionally, for the compound giving the best photovoltaic response, the efficiency of the DSSCs was optimized by a photoanode modification involving the use of cosensitization and coadsorption approaches and the introduction of a blocking layer. Subsequently, two types of tandem dye-sensitized solar cells were constructed, which resulted in an increase in photovoltaic efficiency to 6.37%, as compared to DSSCs before modifications, with a power conversion value of 2.50%. Full article
(This article belongs to the Special Issue Advances in Solar Cell Materials and Structures—Second Edition)
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Figure 1

Figure 1
<p><sup>1</sup>H NMR spectra of (<b>a</b>) <b>PETA</b>, (<b>b</b>) <b>PBTA</b>, and (<b>c</b>) <b>POTA</b>.</p>
Full article ">Figure 1 Cont.
<p><sup>1</sup>H NMR spectra of (<b>a</b>) <b>PETA</b>, (<b>b</b>) <b>PBTA</b>, and (<b>c</b>) <b>POTA</b>.</p>
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<p>(<b>a</b>) DSC thermogram of <b>PETA</b>. (<b>b</b>) Thermal investigation data of compounds starting from phenothiazine.</p>
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<p>The voltammograms of the (<b>a</b>) reduction and oxidation process measured in the cyclic voltammetry method and (<b>b</b>) voltammograms of the oxidation process measured in the differential pulse voltammetry method (GC, 0.1 mol/dm<sup>3</sup> Bu<sub>4</sub>NPF<sub>6</sub> in DMF, 100 mV/s; the dashed lines mean reduction, and the solid lines mean oxidation).</p>
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<p>Molecular electrostatic potential surfaces on the molecules of the dyes (scale range −7.03 × 10<sup>−2</sup> (red) to 7.03 × 10<sup>−2</sup> (blue) neural and −0.19 a.u. (red) to 0.19 a.u (blue) anionic form).</p>
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<p>Adsorption of the dyes on Ti<sub>30</sub>O<sub>66</sub>H<sub>12</sub> cluster calculated in acetonitrile solutions (values calculated in the gas phase are given in brackets).</p>
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<p>Adsorption of the dyes on Ti<sub>30</sub>O<sub>66</sub>H<sub>12</sub> cluster calculated in acetonitrile solutions (values calculated in the gas phase are given in brackets).</p>
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<p>UV–Vis absorption spectra of the dyes (<b>a</b>) in solution form (c = 2 × 10<sup>−5</sup> mol dm<sup>−3</sup>), (<b>b</b>) adsorbed on TiO<sub>2</sub> surface, and (<b>c</b>) PL spectra of the dyes in solution form.</p>
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<p>Block diagram of ongoing research on DSSCs.</p>
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<p>(<b>a</b>) J–V curves for DSSCs sensitized with PTZ dyes and N719 with and without BL. (<b>b</b>) Schematic energy level diagram of dyes under vacuum in terms of eV.</p>
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<p>J–V characteristics of tandem DSSCs with (<b>a</b>) FTO/BL/TiO<sub>2</sub>@<b>POTA</b> photoanode in top cell, (<b>b</b>) FTO/BL/TiO<sub>2</sub>@<b>POTA</b> photoanode in bottom cell.</p>
Full article ">Scheme 1
<p>Scheme of the designed dyes synthesis. (<b>i</b>) Acetone, TBAI, reflux 24 h. (<b>ii</b>) DMF, POCl<sub>3</sub>, 1,2-dichloroethane, reflux 24 h. (<b>iii</b>) Diethylamine, 1H-tetrazole-5-acetic acid, CH<sub>3</sub>CN, reflux 24 h.</p>
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16 pages, 1428 KiB  
Article
A Definition of a Heywood Case in Item Response Theory Based on Fisher Information
by Jay Verkuilen and Peter J. Johnson
Entropy 2024, 26(12), 1096; https://doi.org/10.3390/e26121096 - 14 Dec 2024
Viewed by 363
Abstract
Heywood cases and other improper solutions occur frequently in latent variable models, e.g., factor analysis, item response theory, latent class analysis, multilevel models, or structural equation models, all of which are models with response variables taken from an exponential family. They have important [...] Read more.
Heywood cases and other improper solutions occur frequently in latent variable models, e.g., factor analysis, item response theory, latent class analysis, multilevel models, or structural equation models, all of which are models with response variables taken from an exponential family. They have important consequences for scoring with the latent variable model and are indicative of issues in a model, such as poor identification or model misspecification. In the context of the 2PL and 3PL models in IRT, they are more frequently known as Guttman items and are identified by having a discrimination parameter that is deemed excessively large. Other IRT models, such as the newer asymmetric item response theory (AsymIRT) or polytomous IRT models often have parameters that are not easy to interpret directly, so scanning parameter estimates are not necessarily indicative of the presence of problematic values. The graphical examination of the IRF can be useful but is necessarily subjective and highly dependent on choices of graphical defaults. We propose using the derivatives of the IRF, item Fisher information functions, and our proposed Item Fraction of Total Information (IFTI) decomposition metric to bypass the parameters, allowing for the more concrete and consistent identification of Heywood cases. We illustrate the approach by using empirical examples by using AsymIRT and nominal response models. Full article
(This article belongs to the Special Issue Applications of Fisher Information in Sciences II)
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Figure 1

Figure 1
<p>(<b>a</b>) IRFs and (<b>b</b>) IIFs for a typical, suspect, and problematic item. Note the IIFs are put on a <math display="inline"><semantics> <msqrt> <mrow> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </msqrt> </semantics></math> scale for ease of visualization.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>π</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> and (<b>b</b>) <math display="inline"><semantics> <mrow> <msub> <mo>∂</mo> <mi>θ</mi> </msub> <mi>π</mi> <mrow> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </mrow> </semantics></math> for Example 1. The mental rotation items are colored; item MR3 is orange, item MR4 is green, item MR6 is cyan, and item MR8 is red.</p>
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<p>(<b>a</b>) Test information function and (<b>b</b>) fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> for Example 1. The mental rotation items are colored; item MR3 is orange, item MR4 is green, item MR6 is cyan, and item MR8 is red. Note that the overall trend in the item information plots is reflected in the test information function.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> </mrow> </semantics></math> for the total 16 items and (<b>b</b>) fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> </mrow> </semantics></math> for Example 1 with the two most severe Heywood case items removed. The mental rotation items are colored; item MR3 is orange, item MR4 is green, item MR6 is cyan, and item MR8 is red.</p>
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<p>Box plots of (<b>a</b>) EAP predicted scores (<math display="inline"><semantics> <mover accent="true"> <mi>θ</mi> <mo>^</mo> </mover> </semantics></math>) and (<b>b</b>) standard errors (<math display="inline"><semantics> <mrow> <mi>SE</mi> <mo>(</mo> <mover accent="true"> <mi>θ</mi> <mo>^</mo> </mover> <mo>)</mo> </mrow> </semantics></math>), shown over the proportion correct. Note that while most boxes are fairly modest, for high proportions correct, the boxes are unexpectedly wide, indicating the instability induced by the mental rotation items.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> </mrow> </semantics></math> and (<b>b</b>) box plots of EAP predicted scores for Example 1, with a loose N(0,1) prior set on the asymmetry parameter of the RH model. The mental rotation items are colored; item MR3 is orange, item MR4 is green, item MR6 is cyan, and item MR8 is red.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> </mrow> </semantics></math> and (<b>b</b>) box plots of EAP predicted scores for Example 1, with a strict N(0,0.25) prior set on the asymmetry parameter of the RH model. The mental rotation items are colored; item MR3 is orange, item MR4 is green, item MR6 is cyan, and item MR8 is red.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> and (<b>b</b>) fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> for Example 2. Item 11 is bolded.</p>
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<p>(<b>a</b>) Fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> without item 11 and (<b>b</b>) fitted <math display="inline"><semantics> <mrow> <mi>I</mi> <mi>F</mi> <mi>T</mi> <mi>I</mi> <mo>(</mo> <mi>θ</mi> <mo>)</mo> </mrow> </semantics></math> without items 17–32 for Example 2. Items 31 and 11 are bold in <b>a</b> and <b>b</b>, respectively.</p>
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13 pages, 1058 KiB  
Article
Designing Continuous Crystallization Protocols for Curcumin Using PAT Obtained Batch Kinetics
by Mayank Vashishtha, Mahmoud Ranjbar, Gavin Walker and K. Vasanth Kumar
Crystals 2024, 14(12), 1069; https://doi.org/10.3390/cryst14121069 - 12 Dec 2024
Viewed by 409
Abstract
Developing theory-informed standard operating procedures (SOPs) for the continuous crystallisation of pharmaceuticals still remains a bottleneck. For the continuous manufacturing of pharmaceuticals, the current methods rely on the laborious trial-and-error approach to identify process conditions such as the dilution rate (flow per unit [...] Read more.
Developing theory-informed standard operating procedures (SOPs) for the continuous crystallisation of pharmaceuticals still remains a bottleneck. For the continuous manufacturing of pharmaceuticals, the current methods rely on the laborious trial-and-error approach to identify process conditions such as the dilution rate (flow per unit volume of reactor) and initial supersaturation, where the productivity will be at maximum at steady-state conditions. This approach, while proven and considered to be useful, lacks or ignores the information obtained from batch kinetics. Herein for the first time, we propose a theoretical method to develop batch kinetics-informed theoretical procedures for the continuous manufacturing of a model compound curcumin in isopropanol. The theoretical approach uses batch kinetic constants to theoretically identify the optimum dilution rate and the corresponding mass of the model compound curcumin when crystallised, as well as its productivity at steady-state conditions as a function of initial supersaturation. The theory-informed procedures will serve as a valuable guideline to develop operating procedures for the continuous production of the target compound and thus eliminate the trial-and-error approach used to develop the protocols for the continuous manufacturing of pharmaceuticals. We also showed that our methods allow for the estimation of the dilution rate that corresponds to washout conditions (i.e., where all the crystals in the crystalliser will be washed out due to the high flow rate of the input stream) during the continuous manufacturing of crystals. Full article
(This article belongs to the Special Issue Young Crystallographers Across Europe)
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Figure 1

Figure 1
<p>(<b>a</b>) plot of mass crystallised versus time (<span style="color:#4472C4">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3, <span style="color:#C45911">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3.5, <span style="color:#7F7F7F">●</span>: <span class="html-italic">S</span><sub>o</sub> = 4, <span style="color:#FFC000">●</span>: 4.5, <span style="color:#00B0F0">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5, <span style="color:#00B050">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5.5). (<b>b</b>) shows the different kinetic regimes involved in the crystallisation process (<span style="color:#4472C4">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3), (<b>c</b>) plot of ln (<span class="html-italic">m</span>/<span class="html-italic">m</span><sub>o</sub>) versus <span class="html-italic">t</span> (<span style="color:#4472C4">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3, <span style="color:#C45911">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3.5, <span style="color:#7F7F7F">●</span>: <span class="html-italic">S</span><sub>o</sub> = 4, <span style="color:#FFC000">●</span>: 4.5, <span style="color:#00B0F0">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5, <span style="color:#00B050">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5.5), and (<b>d</b>) plot of the kinetic constant, <span class="html-italic">k</span>, versus initial supersaturation.</p>
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<p>(<b>a</b>) plot of mass crystallised at steady state during the continuous crystallisation of curcumin in isopropanol as a function of the dilution rate (also shown is the mass crystallised when <span class="html-italic">D</span> = <span class="html-italic">D<sub>opt</sub></span>), (<b>b</b>) plot of productivity versus <span class="html-italic">D</span> (also shown is the productivity line when <span class="html-italic">D</span> = <span class="html-italic">D<sub>opt</sub></span>). (<span style="color:#4472C4">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3, <span style="color:#ED7D31">●</span>: <span class="html-italic">S</span><sub>o</sub> = 3.5, <span style="color:gray">●</span>: <span class="html-italic">S</span><sub>o</sub> = 4, <span style="color:#FFC000">●</span>: 4.5, <span style="color:#5B9BD5">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5, <span style="color:#70AD47">●</span>: <span class="html-italic">S</span><sub>o</sub> = 5.5).</p>
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<p>Plot showing the effect of initial supersaturation on the <span class="html-italic">D<sub>zero</sub></span> value.</p>
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