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Search Results (5,356)

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23 pages, 4213 KiB  
Review
Li-Ion Batteries for Electric Vehicle Applications: An Overview of Accurate State of Charge/State of Health Estimation Methods
by Adolfo Dannier, Gianluca Brando, Mattia Ribera and Ivan Spina
Energies 2025, 18(4), 786; https://doi.org/10.3390/en18040786 (registering DOI) - 8 Feb 2025
Abstract
Road transport significantly contributes to greenhouse gas emissions in all places where it is used and therefore also in Europe, prompting the EU to set ambitious objectives for CO2 reduction. In order to reach these objectives, the automotive industry is transitioning to [...] Read more.
Road transport significantly contributes to greenhouse gas emissions in all places where it is used and therefore also in Europe, prompting the EU to set ambitious objectives for CO2 reduction. In order to reach these objectives, the automotive industry is transitioning to electric vehicles, utilizing electric powertrains powered by battery packs. However, the longevity and reliability of these batteries are critical concerns. This review paper focuses on the advanced diagnostic techniques for effective battery State of Charge (SoC) and State of Health (SoH) monitoring. Accurate SoC/SoH estimation is crucial for optimizing battery performance, avoiding premature degradation, and ensuring driver safety. By investigating these areas, this paper aims to contribute to the development of more sustainable and durable electric vehicles, supporting the transition to cleaner transportation systems. Full article
(This article belongs to the Collection "Electric Vehicles" Section: Review Papers)
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<p>Block scheme of a pure EV powertrain.</p>
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<p>BMS block diagram.</p>
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<p>N-time constant models.</p>
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<p>Randles model.</p>
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<p>Partnership for a New Generation of Vehicles (PNGV) model.</p>
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<p>Schematic of a DFN model.</p>
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<p>Schematic of an SPM.</p>
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<p>Overview of the primary SoC/SoH estimation methodology.</p>
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<p>Step-by-step illustration of the Coulomb Counting estimation method.</p>
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<p>Overview of model-based methods for SoC estimation.</p>
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<p>General scheme of data-driven SoC estimation using pre-trained models.</p>
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<p>List of common data-driven methods tested for SoC and SoH estimation.</p>
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19 pages, 3129 KiB  
Article
Rapid State of Health Estimation Strategy for Retired Batteries Based on Resting Voltage Curves
by Haihong Huang, Xin Liu, Wenjing Chang and Yuhang Wang
Batteries 2025, 11(2), 66; https://doi.org/10.3390/batteries11020066 (registering DOI) - 8 Feb 2025
Abstract
Retired batteries are approaching the recycling peak, and their secondary utilization can prevent resource waste and environmental pollution from battery retirement. Evaluating the state of health (SOH) of retired batteries is crucial for secondary use. However, estimating the SOH of retired batteries is [...] Read more.
Retired batteries are approaching the recycling peak, and their secondary utilization can prevent resource waste and environmental pollution from battery retirement. Evaluating the state of health (SOH) of retired batteries is crucial for secondary use. However, estimating the SOH of retired batteries is time-consuming and energy-intensive. To address the problem, this paper proposes a rapid estimation strategy based on resting voltage curves. After discharging retired batteries to the same voltage, variations in the remaining state of charge (SOC) exist among batteries with different SOHs. These SOC differences lead to distinct trends in the resting voltage curves for varying SOH batteries. Our approach analyzes health features from these resting voltage discrepancies, ultimately achieving a fast estimation of retired batteries’ SOH. Additionally, during the data collection of datasets, some batteries may form outliers due to measurement errors. This paper analyzes the impact of outlier quantity on the accuracy of regression models for SOH estimation and proposes using the DBSCAN clustering algorithm to identify and mitigate the influence of outliers, eventually enhancing the precision of SOH estimation. Full article
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<p>Thevenin equivalent circuit model.</p>
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<p>Open-circuit voltage versus SOC at 25 °C.</p>
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<p>Variation of resting voltage with time for different SOH cells.</p>
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<p>Schematic diagram of characteristic voltage selection at 25 °C.</p>
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<p>The flow of fast SOH estimation.</p>
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<p>The resting voltage of batteries with different SOHs at various cutoff voltages.</p>
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<p>Variation of characteristic voltage with SOH without noise.</p>
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<p>Correlation coefficient between resting voltage and SOH.</p>
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<p>Variation of characteristic voltage with SOH in noise.</p>
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<p>Comparison of estimated time for SOH.</p>
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<p>The deviation in predictions made by the model trained on noisy data.</p>
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<p>Comparison of SOH estimation results with Gaussian noise outliers.</p>
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<p>Comparison of SOH estimation results without Gaussian noise outliers.</p>
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19 pages, 386 KiB  
Article
Strained Graphene as Pristine Graphene with a Deformed Momentum Operator
by David Valenzuela, Alfredo Raya and Juan D. García-Muñoz
Condens. Matter 2025, 10(1), 10; https://doi.org/10.3390/condmat10010010 - 7 Feb 2025
Viewed by 105
Abstract
We explore the equivalence between the low-energy dynamics of strained graphene and a quantum mechanical framework for the 2D Dirac equation in flat space with a deformed momentum operator. By considering some common forms of the anisotropic Fermi velocity tensor emerging from the [...] Read more.
We explore the equivalence between the low-energy dynamics of strained graphene and a quantum mechanical framework for the 2D Dirac equation in flat space with a deformed momentum operator. By considering some common forms of the anisotropic Fermi velocity tensor emerging from the elasticity theory, we associate such tensor forms with a deformation of the momentum operator. We first explore the bound states of charge carriers in a background uniform magnetic field in this framework and quantify the impact of strain in the energy spectrum. Then, we use a quadrature algebra formula as a mathematical tool to analyze the impact of the deformation attached to the momentum operator and identify physical consequences of such deformation in terms of energy modifications due to the applied strain. Full article
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<p>Effect of uniform uniaxial strain on the Landau levels. Solid curves represent the levels <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math> (blue), <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>2</mn> </mrow> </semantics></math> (gold), <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>3</mn> </mrow> </semantics></math> (green), <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>4</mn> </mrow> </semantics></math> red and <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math> (purple) without strain. Dashed curves (in the same color) represent strain with <math display="inline"><semantics> <mrow> <mi>ξ</mi> <mo>=</mo> <mn>1.1</mn> </mrow> </semantics></math> and dotted curves with <math display="inline"><semantics> <mrow> <mi>ξ</mi> <mo>=</mo> <mn>0.9</mn> </mrow> </semantics></math>.</p>
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<p>Effect of uniform shear strain on the <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math> Landau level (1LL). The solid black curve represents the unstrained case. Dashed curves represent <math display="inline"><semantics> <mrow> <mi>a</mi> <mo>=</mo> <mn>2</mn> <mo>−</mo> <mn>5</mn> </mrow> </semantics></math> outward from the 1LL. Dotted curves represent <math display="inline"><semantics> <mrow> <mi>a</mi> <mo>=</mo> <mn>0.2</mn> <mo>−</mo> <mn>0.5</mn> </mrow> </semantics></math> increasing toward the 1LL curve.</p>
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<p>Energy eigenvalues from Equation (<a href="#FD74-condensedmatter-10-00010" class="html-disp-formula">74</a>) as a function of the parameter <span class="html-italic">a</span> for fixed <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>0.2</mn> </mrow> </semantics></math>, <math display="inline"><semantics> <mrow> <mi>L</mi> <mo>=</mo> <mn>10</mn> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mi>k</mi> <mi>y</mi> </msub> <mo>=</mo> <mn>0.8</mn> </mrow> </semantics></math> in arbitrary units. The blue curve corresponds to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math>, gold to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>2</mn> </mrow> </semantics></math>, green to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>3</mn> </mrow> </semantics></math>, red to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>4</mn> </mrow> </semantics></math> and purple to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math>.</p>
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<p>Energy eigenvalue for the first excited state in from Equation (<a href="#FD90-condensedmatter-10-00010" class="html-disp-formula">90</a>) as a function of the parameter <span class="html-italic">a</span> for different values of <span class="html-italic">b</span> at fixed <math display="inline"><semantics> <mrow> <msub> <mi>k</mi> <mi>y</mi> </msub> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math> in arbitrary units. The lue curve corresponds to <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math>, long-dashed gold to <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>2</mn> </mrow> </semantics></math>, dashed green to <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>3</mn> </mrow> </semantics></math>, dot-dashed red to <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>4</mn> </mrow> </semantics></math> and dotted purple to <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math>.</p>
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<p>Energy eigenvalues from Equation (<a href="#FD110-condensedmatter-10-00010" class="html-disp-formula">110</a>) as a function of the parameter <span class="html-italic">a</span> for fixed values <math display="inline"><semantics> <mrow> <mi>b</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math>, <math display="inline"><semantics> <mrow> <msub> <mi>k</mi> <mi>y</mi> </msub> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <mi>L</mi> <mo>=</mo> <mn>10</mn> </mrow> </semantics></math> in arbitrary units. The blue curve corresponds to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>1</mn> </mrow> </semantics></math>, long-dashed gold to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>2</mn> </mrow> </semantics></math>, dashed green to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>3</mn> </mrow> </semantics></math>, dot-dashed red to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>4</mn> </mrow> </semantics></math> and dotted purple to <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math>.</p>
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15 pages, 6026 KiB  
Article
A 3.3 kV SiC Semi-Superjunction MOSFET with Trench Sidewall Implantations
by Marco Boccarossa, Kyrylo Melnyk, Arne Benjamin Renz, Peter Michael Gammon, Viren Kotagama, Vishal Ajit Shah, Luca Maresca, Andrea Irace and Marina Antoniou
Micromachines 2025, 16(2), 188; https://doi.org/10.3390/mi16020188 - 6 Feb 2025
Viewed by 233
Abstract
Superjunction (SJ) technology offers a promising solution to the challenges faced by silicon carbide (SiC) Metal Oxide Semiconductor Field-Effect Transistors (MOSFETs) operating at high voltages (>3 kV). However, the fabrication of SJ devices presents significant challenges due to fabrication complexity. This paper presents [...] Read more.
Superjunction (SJ) technology offers a promising solution to the challenges faced by silicon carbide (SiC) Metal Oxide Semiconductor Field-Effect Transistors (MOSFETs) operating at high voltages (>3 kV). However, the fabrication of SJ devices presents significant challenges due to fabrication complexity. This paper presents a comprehensive analysis of a feasible and easy-to-fabricate semi-superjunction (SSJ) design for 3.3 kV SiC MOSFETs. The proposed approach utilizes trench etching and sidewall implantation, with a tilted trench to facilitate the implantation process. Through Technology Computer-Aided Design (TCAD) simulations, we investigate the effects of the p-type sidewall on the charge balance and how it affects key performance characteristics, such as breakdown voltage (BV) and on-state resistance (RDS-ON). In particular, both planar gate (PSSJ) and trench gate (TSSJ) designs are simulated to evaluate their performance improvements over conventional planar MOSFETs. The PSSJ design achieves a 2.5% increase in BV and a 48.7% reduction in RDS-ON, while the TSSJ design further optimizes these trade-offs, with a 3.1% improvement in BV and a significant 64.8% reduction in RDS-ON compared to the benchmark. These results underscore the potential of tilted trench SSJ designs to significantly enhance the performance of SiC SSJ MOSFETs for high-voltage power electronics while simplifying fabrication and lowering costs. Full article
(This article belongs to the Special Issue SiC Based Miniaturized Devices, 3rd Edition)
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<p>Sketch of the proposed devices. (<b>a</b>) Planar gate semi superjunction (PSSJ). (<b>b</b>) Trench gate semi superjunction (TSSJ). Not to scale.</p>
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<p>Sketch of the reference devices. (<b>a</b>) Planar (benchmark). (<b>b</b>) Vertical semi-superjunction (ideal). Not to scale.</p>
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<p>Planar structure performance. (<b>a</b>) Transfer characteristic. (<b>b</b>) On-state characteristic. (<b>c</b>) Off-state characteristic. (<b>d</b>) Electric field distribution at 2 kV.</p>
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<p>Vertical SSJ performance. (<b>a</b>) Analysis of the breakdown voltage versus sidewall peak doping concentration, varying N<sub>TOP</sub> (solid line 2 × 10<sup>16</sup> cm<sup>−3</sup>, dotted line 3 × 10<sup>16</sup> cm<sup>−3</sup>) and sidewall depth (red 200 nm, blue 300 nm, green 400 nm) for the vertical SSJ. (<b>b</b>) On- state characteristics and R<sub>DS-ON</sub>, varying N<sub>TOP</sub> and sidewall depth for the vertical SSJ. The sidewall doping concentration is set to the values that provide the best charge balance for each combination of N<sub>TOP</sub> and d<sub>SW</sub>.</p>
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<p>Electric field distribution at 2 kV, varying N<sub>TOP</sub> and sidewall depth for the ideal vertical SSJ. The sidewall doping concentration corresponds to the optimal BV value for each case.</p>
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<p>PSSJ performance. (<b>a</b>) Analysis of the breakdown voltage versus the sidewall peak doping concentration with varying N<sub>TOP</sub> (solid line 2 × 10<sup>16</sup> cm<sup>−3</sup>, dotted line 3 × 10<sup>16</sup> cm<sup>−3</sup>) and sidewall depth (red 200 nm, blue 300 nm, green 400 nm) values for the PSSJ. (<b>b</b>) On-state characteristics and R<sub>DS-ON</sub>, varying N<sub>TOP</sub> and sidewall depth for the PSSJ. The sidewall doping concentration is set to the values that provide the best charge balance for each combination of N<sub>TOP</sub> and d<sub>SW</sub>.</p>
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<p>Electric field distribution at 2 kV, varying the N<sub>TOP</sub> and sidewall depth for the PSSJ. The sidewall doping concentration corresponds to the optimal BV value for each case.</p>
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<p>TSSJ performance. (<b>a</b>) Analysis of the breakdown voltage versus sidewall peak doping concentration, varying N<sub>TOP</sub> (solid line 2 × 10<sup>16</sup> cm<sup>−3</sup>, dotted line 3 × 10<sup>16</sup> cm<sup>−3</sup>) and sidewall depth (red 200 nm, blue 300 nm, green 400 nm) for the vertical SSJ. (<b>b</b>) On-state characteristics and R<sub>DS-ON</sub>, varying N<sub>TOP</sub> and sidewall depth for the TSSJ. The sidewall doping concentration is set to the values that provide the best charge balance for each combination of N<sub>TOP</sub> and d<sub>SW</sub>.</p>
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<p>Electric field distribution at 2 kV, varying N<sub>TOP</sub> and sidewall depth for the TSSJ. The sidewall doping concentration corresponds to the optimal BV value for each case.</p>
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<p>Total current density path for an <span class="html-italic">n</span>-top layer doping concentration of 3 × 10<sup>16</sup> cm<sup>−3</sup> and (<b>a</b>) d<sub>SW</sub> = 200 nm; and (<b>b</b>) d<sub>SW</sub> = 400 nm. In the figure is highlighted the junction line (black lines).</p>
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<p>Graded <span class="html-italic">n</span>-top layer doping concentration.</p>
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22 pages, 1918 KiB  
Article
Data-Driven Dynamics Learning on Time Simulation of SF6 HVDC-GIS Conical Solid Insulators
by Kenji Urazaki Junior, Francesco Lucchini and Nicolò Marconato
Electronics 2025, 14(3), 616; https://doi.org/10.3390/electronics14030616 - 5 Feb 2025
Viewed by 223
Abstract
An HVDC-GIL system with a conical spacer in a radioactive environment is studied in this work using simulated data on COMSOL® Multiphysics. Electromagnetic simulations on a 2D model were performed with varying ion-pair generation rates and potential applied to the system. This [...] Read more.
An HVDC-GIL system with a conical spacer in a radioactive environment is studied in this work using simulated data on COMSOL® Multiphysics. Electromagnetic simulations on a 2D model were performed with varying ion-pair generation rates and potential applied to the system. This article explores machine learning methods to derive time to steady state, dark current, gas conductivity, and surface charge density expressions. The focus was on constructing symbolic representations, which could be interpretable and less prone to overfitting, using the symbolic regression (SR) and sparse identification of nonlinear dynamics (SINDy) algorithms. The study successfully derived the intended expressions, demonstrating the power of symbolic regression. Predictions of dark currents in the gas–ground electrode interface reported an absolute error and mean absolute percentage error (MAPE) of 1.04 × 104 pA and 0.01%, respectively. The solid–ground electrode interface reported an error of 8.99 × 105 pA and MAPE of 0.04%, showing strong agreement with simulation data. Expressions for time to steady state had a test error of approximately 110 h with MAPE of around 3%. Steady-state gas conductivity expression achieved an absolute error of 0.55 log(S/m) and MAPE of 1%. An interpretable equation was created with SINDy to model the time evolution of surface charge density, achieving a root mean squared error of 1.12 nC/m2/s across time-series data. These results demonstrate the capability of SR and SINDy to provide interpretable and computationally efficient alternatives to time-consuming numerical simulations of HVDC systems under radiation conditions. While the model provides useful insights, performance and practical applications of the expressions can improve with more diverse datasets, which might include experimental data in the future. Full article
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<p>Expression tree for <math display="inline"><semantics> <mrow> <mn>1.15</mn> <mi>y</mi> <mo>+</mo> <mn>0.86</mn> </mrow> </semantics></math>.</p>
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<p>Workflow: steps and subtasks performed.</p>
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<p>Axisymmetric geometry with conical insulator used in simulations. (<b>a</b>) Domains, (<b>b</b>) interfaces, (<b>c</b>) electrodes.</p>
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<p>Dark currents in the ground electrode as a function of potential and ion-pair generation rate. (<b>a</b>) Dark current through the gas–electrode interface. (<b>b</b>) Dark current through the ground electrode.</p>
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<p>Steady-state time and surface charge density by normalized arc length on interface 1, as identified in <a href="#electronics-14-00616-f003" class="html-fig">Figure 3</a>. (<b>a</b>) Surface charge density variation along solid insulator boundary; (<b>b</b>) time to steady-state variation along solid insulator boundary.</p>
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<p>Evolution in time of surface charge density in two arc positions on interface 1, as identified in <a href="#electronics-14-00616-f003" class="html-fig">Figure 3</a>. (<b>a</b>) Increase in positive surface charge density until saturation on normalized arc length = 0.13; (<b>b</b>) Increase in negative surface charge density until saturation on normalized arc length = 0.4.</p>
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<p>Dark currents in gas–ground interface symbolic regression target vs. predicted for the best equation in the training and test set.</p>
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<p>Dark currents in solid–ground interface symbolic regression target vs. predicted for the best equation in the training and test set.</p>
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<p>Time to steady-state symbolic regression target vs. predicted for the selected equation in the training and test sets.</p>
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<p>Conductivity symbolic regression target vs. predicted for the best equation in the training and test set.</p>
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<p>Derivative target vs. predicted of the learned equation in training and test sets.</p>
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12 pages, 2936 KiB  
Article
First-Principles Understanding of Mono- and Dual-Emissions in AZnOS:Bi3+ (A = Ba, Ca) Phosphors
by Quanzhi Kougong, Bibo Lou and Mikhail G. Brik
Materials 2025, 18(3), 657; https://doi.org/10.3390/ma18030657 - 2 Feb 2025
Viewed by 479
Abstract
The AZnOS:Bi3+ (A = Ba, Ca) phosphors exhibit mono- and dual-emission phenomena based on the different choices of cation, making them an ideal prototype for dual-emission mechanism studies of Bi3+ ions. Here, first-principles calculations were performed to investigate the site occupancy, [...] Read more.
The AZnOS:Bi3+ (A = Ba, Ca) phosphors exhibit mono- and dual-emission phenomena based on the different choices of cation, making them an ideal prototype for dual-emission mechanism studies of Bi3+ ions. Here, first-principles calculations were performed to investigate the site occupancy, defect levels, and luminescence properties of the AZnOS:Bi3+ systems. The formation energy calculations show that the bismuth dopants are mainly in the trivalent charge state, with the Bi3+ ions preferring the Ca sites in CaZnOS but the Zn sites in BaZnOS. Such cation-selective occupancy mainly results in the difference between the mono- and dual-emission phenomena in the two hosts. The excitation and emission energies predicted by calculations are in good agreement with the measurements. Our calculations show that the lowest excited state 3P0,1 provides the dominant emission in both CaZnOS:Bi3+ and BaZnOS:Bi3+ phosphors. In light of the experimental and theoretical results, the metastable excited state of Bi2+ + hVBM (hole at the valence band maximum) is the origin of the additional emission bands in BaZnOS:Bi3+. These results provide the basis of emission band tuning and novel material design for Bi3+-doped phosphors. Full article
(This article belongs to the Section Materials Simulation and Design)
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Figure 1
<p>The crystal structure of the BaZnOS (<b>a</b>) and CaZnOS (<b>b</b>) hosts.</p>
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<p>The band structure calculated with SCAN for (<b>a</b>) BaZnOS and (<b>b</b>) CaZnOS hosts, and the PBE0-calculated total and partial density of states (DOSs) for (<b>c</b>) BaZnOS and (<b>d</b>) CaZnOS hosts.</p>
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<p>The formation energy diagrams of the intrinsic defects and the dopants of Bi ions substituting the A site or the Zn site in (<b>a</b>) BaZnOS:Bi<sup>3+</sup> and (<b>b</b>) CaZnOS:Bi<sup>3+</sup> materials.</p>
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<p>The PBE0 + SOC-calculated partial DOSs of Bi<sup>3+</sup> 6s and 6p orbitals for the ground state of (<b>a</b>) BaZnOS:Bi<sup>3+</sup> and (<b>b</b>) CaZnOS:Bi<sup>3+</sup> materials, and the charge density profiles of the Bi<sup>3+</sup> 6s and 6p orbitals after the localization of a hole and an electron, respectively.</p>
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<p>The thermodynamic charge transition level of Bi<sup>3+</sup> dopants in <span class="html-italic">A</span>ZnOS (<span class="html-italic">A</span> = Ba, Ca) hosts, where the valence band maximum was set as reference.</p>
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<p>The configuration coordinate diagrams of the potential surfaces of Bi<sup>3+</sup> as a function of the generalized configuration coordinate for (<b>a</b>) BaZnOS:Bi<sup>3+</sup> and (<b>b</b>) CaZnOS:Bi<sup>3+</sup> materials, where <sup>1</sup>S<sub>0</sub>, <sup>3</sup>P<sub>0,1</sub>, and <sup>1</sup>P<sub>1</sub> denote the ground, the lowest triplet, and the singlet 6s6p excited states of Bi<sup>3+</sup>, respectively. Bi<sup>4+</sup> + <span class="html-italic">e</span><sub>CBM</sub> simulates Bi<sup>4+</sup> with one electron at CBM, representing the lowest MMCT excited state, and Bi<sup>2+</sup> + <span class="html-italic">h</span><sub>VBM</sub> simulates Bi<sup>2+</sup> with a loose hole at VBM, representing the lowest CT excited state.</p>
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<p>The emission of Bi<sup>2+</sup> and Bi<sup>+</sup> ions approximated by the splitting of the 6p Kohn–Sham orbitals.</p>
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16 pages, 1297 KiB  
Article
Online Cell-by-Cell Calibration Method to Enhance the Kalman-Filter-Based State-of-Charge Estimation
by Ngoc-Thao Pham, Phuong-Ha La, Sungoh Kwon and Sung-Jin Choi
Batteries 2025, 11(2), 58; https://doi.org/10.3390/batteries11020058 - 2 Feb 2025
Viewed by 437
Abstract
Kalman filter (KF) is an effective way to estimate the state-of-charge (SOC), but its performance is heavily dependent on the state-space model parameters. One of the factors that causes the model parameters to change is battery aging, which is individually and non-uniformly experienced [...] Read more.
Kalman filter (KF) is an effective way to estimate the state-of-charge (SOC), but its performance is heavily dependent on the state-space model parameters. One of the factors that causes the model parameters to change is battery aging, which is individually and non-uniformly experienced by the cells inside the battery pack. To mitigate this issue, this paper proposes an online calibration method considering the impact of cell aging and cell inconsistency. In this method, the state-of-health (SOH) levels of the individual cells are estimated using the deep learning method, and the historical parameter loop-up table is constructed to update the state-space model. The proposed calibration framework provides enhanced accuracy for cell-by-cell SOC estimation by lightweight computing devices. The SOC estimation errors of the calibrated EKF reduce to 1.81% compared to 12.1% of the uncalibrated algorithms. Full article
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<p>Experimental setup for the aging dataset.</p>
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<p>Thévenin model for the battery cell.</p>
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<p>Impact of the aging on the EIS model: (<b>a</b>) model parameter change; (<b>b</b>) OCV-SOC curve shift.</p>
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<p>SOC profile and the estimation error (<b>a</b>) at <math display="inline"><semantics> <mrow> <mn>100</mn> <mo>%</mo> </mrow> </semantics></math> SOH level; (<b>b</b>) at <math display="inline"><semantics> <mrow> <mn>87</mn> <mo>%</mo> </mrow> </semantics></math> SOH level.</p>
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<p>Cell inconsistency issue: (<b>a</b>) safety and capacity utilization; (<b>b</b>) cell monitoring by BMS.</p>
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<p>Proposed method: (<b>a</b>) hardware configuration; (<b>b</b>) flowchart.</p>
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<p>DL model selection process: (<b>a</b>) functional block diagram; (<b>b</b>) implemented DL model architecture.</p>
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<p>Comparison of SOH estimation from DL models across different training data sizes: (<b>a</b>) 80% dataset; (<b>b</b>) 60% dataset; (<b>c</b>) 40% dataset; (<b>d</b>) RMSE at different training data sizes.</p>
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<p>Historical parameter LUT.</p>
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<p>SOH estimation for INR18,650 3.6 V/2.9 Ah cell: (<b>a</b>) SOH estimation using Transformer model; (<b>b</b>) SOH estimation error.</p>
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<p>SOC estimation using EKF: (<b>a</b>) cell #1 at 95.13% SOH; (<b>b</b>) cell #2 at 92.47% SOH; (<b>c</b>) cell #3 at 89.38% SOH; (<b>d</b>) cell #4 at 87.42% SOH.</p>
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13 pages, 10346 KiB  
Article
Charging a Dimerized Quantum XY Chain
by Riccardo Grazi, Fabio Cavaliere, Niccolò Traverso Ziani and Dario Ferraro
Symmetry 2025, 17(2), 220; https://doi.org/10.3390/sym17020220 - 2 Feb 2025
Viewed by 256
Abstract
Quantum batteries are quantum systems designed to store energy and release it on demand. The optimization of their performance is an intensively studied topic within the realm of quantum technologies. Such optimization forces the question: how do quantum many-body systems work as quantum [...] Read more.
Quantum batteries are quantum systems designed to store energy and release it on demand. The optimization of their performance is an intensively studied topic within the realm of quantum technologies. Such optimization forces the question: how do quantum many-body systems work as quantum batteries? To address this issue, we rely on symmetry and symmetry breaking via quantum phase transitions. Specifically, we analyze a dimerized quantum XY chain in a transverse field as a prototype of an energy storage device. This model, which is characterized by ground states with different symmetries depending on the Hamiltonian parameters, can be mapped onto a spinless fermionic chain with superconducting correlations, displaying a rich quantum phase diagram. We show that the stored energy strongly depends on the quantum phase diagram of the model when large charging times are considered. Full article
(This article belongs to the Section Physics)
18 pages, 1726 KiB  
Article
Charge Regulation in Liquid Films Stabilized by Ionic Surfactants: Change in Adsorption with Film Thickness and Phase Transitions
by Iglika M. Dimitrova and Radomir I. Slavchov
Molecules 2025, 30(3), 659; https://doi.org/10.3390/molecules30030659 - 1 Feb 2025
Viewed by 536
Abstract
When a liquid film is thinning, the charge and the potential of its surfaces change simultaneously due to the interaction between the two surfaces. This phenomenon is an example for charge regulation and has been known for half a century for systems featuring [...] Read more.
When a liquid film is thinning, the charge and the potential of its surfaces change simultaneously due to the interaction between the two surfaces. This phenomenon is an example for charge regulation and has been known for half a century for systems featuring aqueous solutions in contact with metals, salts, biological surfaces covered by protolytes, etc. Few studies, however, investigated regulation in foam and emulsion films, where the charge is carried by soluble ionic surfactants. This work presents an analysis of the phenomenon for surfactants that follow the classical Davies adsorption isotherm. The electrostatic disjoining pressure Πel was analyzed, and the Davies isotherm was shown to lead to Πelh−1/2 behavior at a small film thickness h. As usual, the charge regulation regime (constant chemical potential of the surfactant) corresponded to a dependence of Πel on h between those for constant charge and constant electric potential regimes. The role of the background electrolyte was also studied. At the water–air interface, many ionic surfactants exhibit a surface phase transition. We show that the interaction between the two surfaces of a foam film can trigger the phase transition (i.e., the film changes its charge abruptly), and two films of different h values can coexist in equilibrium with each other—one covered by surfactant in the 2D gaseous state and another in the 2D liquid state. Full article
(This article belongs to the Special Issue Amphiphilic Molecules, Interfaces and Colloids: 2nd Edition)
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<p>Illustration of thin oil–water–oil liquid film stabilized with ionic surfactant with the potential profile.</p>
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<p>Comparison between the electrostatic component <span class="html-italic">Π</span><sub>el</sub> of the disjoining pressure as a function of the film thickness <span class="html-italic">h</span> (solid curves) for the three studied regimes: constant surface potential, charge, or chemical potential (see the text). The asymptote for the thick film (Equation (30)) is shown as a dashed dotted line. The asymptotes for thin films are given for the three regimes (dashed lines, Equations (33), (38), and (45)). All curves correspond to <math display="inline"><semantics> <mrow> <msubsup> <mi>Φ</mi> <mo>∞</mo> <mi mathvariant="normal">S</mi> </msubsup> </mrow> </semantics></math> = exp(+4) for the isolated surface. The curves depend on <span class="html-italic">C</span><sub>s</sub>, <span class="html-italic">C</span><sub>el</sub>, and <span class="html-italic">K</span><sub>a</sub> only through <math display="inline"><semantics> <mrow> <msubsup> <mi>Φ</mi> <mo>∞</mo> <mi mathvariant="normal">S</mi> </msubsup> </mrow> </semantics></math> (see Equation (17)).</p>
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<p>Illustration of phase transition in air–water–air thin liquid film.</p>
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<p>Membrane tension as a function of the film thickness (nondimensionalized with the Debey length <span class="html-italic">L</span><sub>D</sub>). The parameters are for sodium dodecyl sulfate. The three figures correspond to three concentrations: (<b>a</b>) <span class="html-italic">C</span><sub>s</sub> = 0.50 mM, which is below the phase transition of the isolated surface; (<b>b</b>) <span class="html-italic">C</span><sub>s</sub> = 0.81 mM, which is at the phase transition; (<b>c</b>) <span class="html-italic">C</span><sub>s</sub> = 1.00 mM, which is above the phase transition. The blue curve stands for film covered with a gaseous monolayer, and the purple is for the LE phase.</p>
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<p>Determination of the point of phase transition triggered by film drainage for films stabilized with sodium dodecyl sulfate, with disjoining pressure <span class="html-italic">Π</span> versus membrane pressure <span class="html-italic">σ</span><sub>m</sub>. (<b>a</b>) <span class="html-italic">C</span><sub>s</sub> = 0.70 mM. There is a crossing point, but it corresponds to unstable equilibrium. (<b>b</b>) <span class="html-italic">C</span><sub>s</sub> = 0.81 mM (equal to <span class="html-italic">C</span><sub>s,pt∞</sub> of the isolated surface). Again, there is unstable equilibrium. (<b>c</b>) <span class="html-italic">C</span><sub>s</sub> = 0.85 mM. In this case, the crossing point near <span class="html-italic">Π</span> = 100<span class="html-italic">kTC</span><sub>el</sub> corresponds to two films in stable equilibrium with two different thicknesses: <span class="html-italic">h</span><sup>G</sup> = 4.9 nm and <span class="html-italic">h</span><sup>LE</sup> = 6.2 nm. (<b>d</b>) <span class="html-italic">C</span><sub>s</sub> = 1.0 mM. No crossing point – no phase transition is possible.</p>
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<p>Determination of the point of phase transition triggered by film drainage for films stabilized with sodium dodecyl sulfate, with disjoining pressure <span class="html-italic">Π</span> versus membrane pressure <span class="html-italic">σ</span><sub>m</sub>. (<b>a</b>) <span class="html-italic">C</span><sub>s</sub> = 0.70 mM. There is a crossing point, but it corresponds to unstable equilibrium. (<b>b</b>) <span class="html-italic">C</span><sub>s</sub> = 0.81 mM (equal to <span class="html-italic">C</span><sub>s,pt∞</sub> of the isolated surface). Again, there is unstable equilibrium. (<b>c</b>) <span class="html-italic">C</span><sub>s</sub> = 0.85 mM. In this case, the crossing point near <span class="html-italic">Π</span> = 100<span class="html-italic">kTC</span><sub>el</sub> corresponds to two films in stable equilibrium with two different thicknesses: <span class="html-italic">h</span><sup>G</sup> = 4.9 nm and <span class="html-italic">h</span><sup>LE</sup> = 6.2 nm. (<b>d</b>) <span class="html-italic">C</span><sub>s</sub> = 1.0 mM. No crossing point – no phase transition is possible.</p>
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15 pages, 639 KiB  
Article
Altered Monocyte Populations and Activation Marker Expression in Children with Autism and Co-Occurring Gastrointestinal Symptoms
by Rachel J. Moreno, Yasmin W. Azzam, Serena Eng, Destanie Rose and Paul Ashwood
Biomolecules 2025, 15(2), 207; https://doi.org/10.3390/biom15020207 - 1 Feb 2025
Viewed by 314
Abstract
Autism spectrum disorder (ASD) is an early-onset neurodevelopmental condition that now impacts 1 in 36 children in the United States and is characterized by deficits in social communication, repetitive behaviors, and restricted interests. Children with ASD also frequently experience co-morbidities including anxiety and [...] Read more.
Autism spectrum disorder (ASD) is an early-onset neurodevelopmental condition that now impacts 1 in 36 children in the United States and is characterized by deficits in social communication, repetitive behaviors, and restricted interests. Children with ASD also frequently experience co-morbidities including anxiety and ADHD, and up to 80% experience gastrointestinal (GI) symptoms such as constipation, diarrhea, and/or abdominal pain. Systemic immune activation and dysregulation, including increased pro-inflammatory cytokines, are frequently observed in ASD. Evidence has shown that the innate immune system may be impacted in ASD, as altered monocyte gene expression profiles and cytokine responses to pattern recognition ligands have been observed compared to typically developing (TD) children. In humans, circulating monocytes are often categorized into three subpopulations—classical, transitional (or “intermediate”), and nonclassical monocytes, which can vary in functions, including archetypal inflammatory and/or reparative functions, as well as their effector locations. The potential for monocytes to contribute to immune dysregulation in ASD and its comorbidities has so far not been extensively studied. This study aims to determine whether these monocyte subsets differ in frequency in children with ASD and if the presence of GI symptoms alters subset distribution, as has been seen for T cell subsets. Whole blood from ASD children with (ASD+GI+) and without gastrointestinal symptoms (ASD+GI) and their TD counterparts was collected from children enrolled in the Childhood Autism Risk from Genetics and Environment (CHARGE) study. Peripheral blood mononuclear cells were isolated and stained for commonly used subset identifiers CD14 and CD16 as well as activation state markers CCR2, HLA-DR, PD-1, and PD-L1 for flow cytometry analysis. We identified changes in monocyte subpopulations and their expression of surface markers in children with ASD compared to TD children. These differences in ASD appear to be dependent on the presence or absence of GI symptoms. We found that the ASD+GI+ group have a different monocyte composition, evident in their classical, transitional, and nonclassical populations, compared to the ASD+GI and TD groups. Both the ASD+GI+ and ASD+GI groups exhibited greater frequencies of classical monocytes compared to the TD group. However, the ASD+GI+ group demonstrated lower frequencies of transitional and nonclassical monocytes than their ASD+GI and TD counterparts. CCR2+ classical monocyte frequencies were highest in the ASD+GI group. HLA-DR+ classical, transitional, and nonclassical monocytes were statistically comparable between groups, however, HLA-DR nonclassical monocyte frequencies were lower in both ASD groups compared to TD. The frequency of classical monocytes displaying exhaustion markers PD-1 and PD-L1 were increased in the ASD+GI+ group compared to ASD+GI and TD, suggesting potentially impaired ability for clearance of foreign pathogens or debris, typically associated with worsened inflammation. Taken together, the findings of differential proportions of the monocyte subpopulations and altered surface markers may explain some of the characteristics of immune dysregulation, such as in the gastrointestinal tract, observed in ASD. Full article
(This article belongs to the Special Issue Neuroimmune Interactions in Neuropsychiatric Diseases)
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<p>Monocyte subpopulation frequencies based on diagnosis and GI status. The percentage of live cells from each monocyte subpopulation—(<b>A</b>) classical (CD14<sup>+</sup>CD16<sup>−</sup>), (<b>B</b>) transitional (CD14<sup>+</sup>CD16<sup>+</sup>), and (<b>C</b>) nonclassical (CD14<sup>lo</sup>CD16<sup>+</sup>)—was identified using flow cytometry based on CD14 and CD16 expression in TD, ASD<sup>+</sup>GI<sup>−</sup>, and ASD<sup>+</sup>GI<sup>+</sup> groups. ROUT outlier removal (Q = 1%) was applied, and statistical significance between groups (<span class="html-italic">p</span> &lt; 0.05) was determined using ordinary one-way ANOVA and Tukey’s multiple comparisons test. Error bars represent SEM.</p>
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<p>CCR2 expression on monocyte subpopulations based on diagnosis and GI status. The percentage of CCR2-expressing cells from (<b>A</b>) classical (CD14<sup>+</sup>CD16<sup>−</sup>) and (<b>B</b>) transitional (CD14<sup>+</sup>CD16<sup>+</sup>) monocyte subpopulations was identified using flow cytometry in TD, ASD<sup>+</sup>GI<sup>−</sup>, and ASD<sup>+</sup>GI<sup>+</sup> groups. ROUT outlier removal (Q = 1%) was applied, and statistical significance between groups (<span class="html-italic">p</span> &lt; 0.05) was determined using ordinary one-way ANOVA and Tukey’s multiple comparisons test. Nonclassical (CD14<sup>lo</sup>CD16<sup>+</sup>) monocytes were excluded from the figure due to an insufficient number of captured events in the ASD<sup>+</sup>GI<sup>+</sup> group required for statistical analysis. Error bars represent SEM.</p>
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<p>HLA-DR expression on nonclassical monocyte populations based on ASD diagnosis and GI status. The percentage of HLA-DR non-expressing nonclassical (CD14<sup>lo</sup>CD16<sup>+</sup>) monocytes was identified using flow cytometry in the TD, ASD<sup>+</sup>GI<sup>−</sup>, and ASD<sup>+</sup>GI<sup>+</sup> groups. HLA-DR<sup>+</sup> classical (CD14<sup>+</sup>CD16<sup>−</sup>), transitional (CD14<sup>+</sup>CD16<sup>+</sup>), and nonclassical cells, as well as HLA-DR<sup>−</sup> classical and transitional cells, did not significantly differ across the three groups. ROUT outlier removal (Q = 1%) was applied, and statistical significance between groups (<span class="html-italic">p</span> &lt; 0.05) was determined using ordinary one-way ANOVA and Tukey’s multiple comparisons test. Error bars represent SEM.</p>
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<p>PD-1, PD-L1, and PD-1 PD-L1 co-expression on classical monocyte populations based on ASD diagnosis and GI status. The percentage of (<b>A</b>) PD-1, (<b>B</b>) PD-L1, and (<b>C</b>) PD-1 PD-L1 co-expressing cells from classical (CD14<sup>+</sup>CD16<sup>−</sup>) monocyte populations were identified using flow cytometry in TD, ASD<sup>+</sup>GI<sup>−</sup>, and ASD<sup>+</sup>GI<sup>+</sup> groups. ROUT outlier removal (Q = 1%) was applied, and statistical significance between groups (<span class="html-italic">p</span> &lt; 0.05) was determined using ordinary one-way ANOVA and Tukey’s multiple comparisons test. PD-1, PD-L1, and PD-1 PD-L1 co-expressing transitional (CD14<sup>+</sup>CD16<sup>+</sup>) monocytes did not significantly differ across the three groups. Nonclassical (CD14<sup>lo</sup>CD16<sup>+</sup>) monocytes were excluded from the figure due to an insufficient number of captured events in the ASD<sup>+</sup>GI<sup>+</sup> group required for statistical analysis. Error bars represent SEM.</p>
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23 pages, 13775 KiB  
Article
Physics-Informed Fractional-Order Recurrent Neural Network for Fast Battery Degradation with Vehicle Charging Snippets
by Yanan Wang, Min Wei, Feng Dai, Daijiang Zou, Chen Lu, Xuebing Han, Yangquan Chen and Changwei Ji
Fractal Fract. 2025, 9(2), 91; https://doi.org/10.3390/fractalfract9020091 - 1 Feb 2025
Viewed by 299
Abstract
To handle and manage battery degradation in electric vehicles (EVs), various capacity estimation methods have been proposed and can mainly be divided into traditional modeling methods and data-driven methods. For realistic conditions, data-driven methods take the advantage of simple application. However, state-of-the-art machine [...] Read more.
To handle and manage battery degradation in electric vehicles (EVs), various capacity estimation methods have been proposed and can mainly be divided into traditional modeling methods and data-driven methods. For realistic conditions, data-driven methods take the advantage of simple application. However, state-of-the-art machine learning (ML) algorithms are still kinds of black-box models; thus, the algorithms do not have a strong ability to describe the inner reactions or degradation information of batteries. Due to a lack of interpretability, machine learning may not learn the degradation principle correctly and may need to depend on big data quality. In this paper, we propose a physics-informed recurrent neural network (PIRNN) with a fractional-order gradient for fast battery degradation estimation in running EVs to provide a physics-informed neural network that can make algorithms learn battery degradation mechanisms. Incremental capacity analysis (ICA) was conducted to extract aging characteristics, which could be selected as the inputs of the algorithm. The fractional-order gradient descent (FOGD) method was also applied to improve the training convergence and embedding of battery information during backpropagation; then, the recurrent neural network was selected as the main body of the algorithm. A battery dataset with fast degradation from ten EVs with a total of 5697 charging snippets were constructed to validate the performance of the proposed algorithm. Experimental results show that the proposed PIRNN with ICA and the FOGD method could control the relative error within 5% for most snippets of the ten EVs. The algorithm could even achieve a stable estimation accuracy (relative error < 3%) during three-quarters of a battery’s lifetime, while for a battery with dramatic degradation, it was difficult to maintain such high accuracy during the whole battery lifetime. Full article
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<p>Typical degradation curve of LiFeP<math display="inline"><semantics> <msub> <mi mathvariant="normal">O</mi> <mn>4</mn> </msub> </semantics></math> (LFP) battery with mileage increasing.</p>
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<p>The battery capacity labels in battery dataset of the ten EVs.</p>
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<p>The fractional-order PNGV model of LIBs for physical battery information embedded in the PIRNN.</p>
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<p>The accumulated time distribution of the maximum–voltage cell marked by the battery management system (BMS) during all charging snippets of (<b>a</b>,<b>c</b>) EV1 and (<b>b</b>,<b>d</b>) EV7.</p>
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<p>The 650 charging voltage curves of the selected LFP cell (the cell with maximum voltage) in EV7 with degradation.</p>
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<p>The extracted voltage curves and incremental capacity (IC) curves of the selected LFP cell in EV7 during charging with degradation. (<b>a</b>) The extracted charging voltage curves with two extracted plateau regions; (<b>b</b>) the IC curves.</p>
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<p>The flowchart and framework of the proposed PIRNN for fast battery degradation.</p>
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<p>The IC curves and characteristics extracted from the IC curves of EV1, EV3, and EV6.</p>
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<p>The structure of the proposed fractional-order recurrent neural network.</p>
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<p>The histogram of the DOC of all inputs.</p>
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<p>The training process of the proposed fractional-order recurrent neural network with the physics-informed method.</p>
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<p>The capacity estimation results of the proposed fractional-order recurrent neural network with the physics-informed method, compared to a conventional RNN with the GD method.</p>
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<p>The estimation errors of the proposed fractional-order recurrent neural network with the physics-informed method, compared to a conventional RNN with the GD method.</p>
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<p>The relative errors of the proposed fractional-order recurrent neural network with the physics-informed method, compared to a conventional RNN with the GD method.</p>
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<p>Detailed estimation and relative error of EV4 in training dataset. (<b>a</b>) EV4 estimation results with labels. (<b>b</b>) EV4 relative error.</p>
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<p>Comparison of training results and testing results with EV6 and EV10. (<b>a</b>) EV6 estimation and relative error in training dataset. (<b>b</b>) EV10 estimation and relative error in testing data.</p>
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<p>Comparison of training results and testing results with EV6 and EV10. (<b>a</b>) EV6 estimation and relative error in training dataset. (<b>b</b>) EV10 estimation and relative error in testing data.</p>
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12 pages, 2722 KiB  
Article
Effect of Dehydration on Light-Adapted States of Bacterial Reaction Centers Studied by Time-Resolved Rapid-Scan FTIR Difference Spectroscopy
by Alberto Mezzetti, Marco Malferrari, Francesco Francia and Giovanni Venturoli
Spectrosc. J. 2025, 3(1), 5; https://doi.org/10.3390/spectroscj3010005 - 1 Feb 2025
Viewed by 375
Abstract
Dehydration is known to affect the rate of electron transfer backreaction from the light-induced charge separation state P+QA to the neutral ground state PQA in photosynthetic bacterial Reaction Centers. On the other hand, a 20 s continuous illumination [...] Read more.
Dehydration is known to affect the rate of electron transfer backreaction from the light-induced charge separation state P+QA to the neutral ground state PQA in photosynthetic bacterial Reaction Centers. On the other hand, a 20 s continuous illumination period has been demonstrated to induce (at 297 K) formation of one or more light-adapted states at different levels of dehydration; these light-adapted states are believed to be related to peculiar response(s) from the protein. In this work, we applied time-resolved rapid-scan FTIR difference spectroscopy to investigate the protein response under dehydrated conditions (RH = 11%) at 281 K both after a flash and under prolonged continuous illumination. Time-resolved FTIR difference spectra recorded after a laser flash show a protein recovery almost synchronous to the electron transfer backreaction P+QA → PQA. Time-resolved FTIR difference spectra recorded after 20.5 s of continuous illumination (RH = 11%, T = 281 K) surprisingly show almost the same kinetics of electron transfer back reaction compared to spectra recorded after a laser flash. This means that the mechanism of formation of a light-adapted stabilized state is less effective compared to the same hydration level at 297 K and to the RH = 76% hydration level (both at 281 K and 297 K). Time-resolved FTIR difference spectra after continuous illumination also suggest that the 1666 cm−1 protein backbone band decays faster than marker bands for the electron transfer back reaction P+QA → PQA. Finally, FTIR double-difference spectra (FTIR difference spectrum recorded after 18.4 s illumination minus flash-induced FTIR difference spectrum) suggest that at RH = 11%, a light-adapted state different from the one observed at RH = 76% is formed. A possible interpretation is that at RH = 11%, the protein response is modified by the fact that only protons can move easily, differently from water molecules, as instead observed for RH = 76%. This probably makes the formation of a real light-adapted P+QA stabilized state at RH = 11% unfeasible. Full article
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<p>Scheme of the reaction center (RC) from the purple bacterium <span class="html-italic">Rba. sphaeroides</span>. (<b>A</b>) Untreated RC: the Q<sub>B</sub> site is occupied by a ubiquinone-10 molecule. A laser flash entails formation of a P<sup>+</sup>Q<sub>B</sub><sup>–</sup> charge separate state that recombines to PQ<sub>B</sub> in ~1 s. (<b>B</b>) O-phenanthroline (O-Phe)-treated RC: the Q<sub>B</sub> site is occupied by O-Phe, unable to accept electrons, so that a laser flash induces formation of a P<sup>+</sup>Q<sub>A</sub> state, which recombines to PQ<sub>A</sub> in ~100 ms. (<b>C</b>) Arrangement of cofactors P, Q<sub>A</sub>, and Q<sub>B</sub> inside the RC. (<b>D</b>) Chemical structure of BChl a (P is a dimer of BChl a molecules) and of ubiquinone-10 (therefore, of both Q<sub>A</sub> and Q<sub>B</sub>). (<b>C</b>) reprinted (in form) from [<a href="#B25-spectroscj-03-00005" class="html-bibr">25</a>] Copyright (2001) with permission from Elsevier.</p>
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<p>(<b>A</b>) Scheme of the sample compartment for FTIR experiments. (<b>B</b>) Picture of the sample compartment. See text for further details.</p>
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<p>(<b>A</b>) Scheme of flash-induced rapid-scan FTIR difference spectroscopy experiments (giving FL-TRIR difference spectra). Each marked interval represents the time required to record an interferogram. Each interferogram is recorded in a separate memory. Fifteen seconds were introduced at the end of the measuring period as a delay time between cycles to let the system to recover completely to the initial state. (<b>B</b>) Time-resolved rapid-scan FTIR difference spectroscopy experiments during and after 20.5 s of continuous illumination (giving UI-TRIR difference spectra and AI-TRIR difference spectra, respectively). During the illumination period, interferograms are averaged on a 4.1 s time window; averages are then Fourier transformed. After the illumination period, interferograms are recorded at increasing times, with a time resolution of 73 ms. A wait-time of 1 min was introduced at the end of the measuring period to let the system to recover completely to the initial state before starting a new measurement cycle.</p>
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<p>(<b>A</b>) FL-TRIR difference spectra recorded 8 (black trace), 81 (red trace), 154 (green trace), and 227 (blue trace) ms after a saturating laser flash. (<b>B</b>) Time evolution of specific bands for P<sup>+</sup> (1748, 1712 cm<sup>−1</sup>) and a protein conformational change associated with the formation of a Q<sub>A</sub><sup>−</sup> state (1666 cm<sup>−1</sup>). Kinetics constants found with a mono-exponential fitting: τ (1748 cm<sup>−1</sup>) = 51.5 ± 4.6 ms; τ (1717 cm<sup>−1</sup>) = 41.7 ± 3.5 ms; τ (1666 cm<sup>−1</sup>) = 50.0 ± 6.3 ms. (<b>C</b>) Superposition of spectra recorded 8, 81, and 154 ms after a saturating laser flash normalized with respect to the 1748 (+) cm<sup>−1</sup> band.</p>
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<p>(<b>A</b>) UI-TRIR difference spectra recorded under continuous illumination. Spectra were recorded (from top to bottom) 2 s (grey trace), 6.1 s (magenta trace), 10.2 s (blue trace), 14.3 s (green trace), and 18.4 s (red trace) after onset of illumination. (<b>B</b>) Time evolution of specific bands for P<sup>+</sup> (1748, 1717 cm<sup>−1</sup>) and a protein conformational change associated with the formation of a Q<sub>A</sub><sup>−</sup> state (1666 cm<sup>−1</sup>).</p>
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<p>(<b>A</b>) AI-TRIR difference spectra recorded after 20.5 s of continuous illumination and (<b>B</b>) time evolution of specific bands for P<sup>+</sup> (1748, 1717 cm<sup>−1</sup>) and a protein conformational change associated with the formation of a Q<sub>A</sub><sup>−</sup> state (1666 cm<sup>−1</sup>). Kinetics constants found with a mono-exponential fitting: τ (1748 cm<sup>−1</sup>) = 112 ± 45 ms; τ (1717 cm<sup>−1</sup>) = 46 ± 13 ms; τ (1666 cm<sup>−1</sup>) = 13.0 ± 3.0 ms.</p>
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<p>Comparison between FTIR difference spectra recorded after 18.4 s of continuous illumination (blue trace, last of the UI-TRIR difference spectra) and 8 ms after a saturating laser flash (red trace, first of the FL-TRIR difference spectra). In black, the double-difference spectrum obtained by subtracting the red trace from the blue trace.</p>
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21 pages, 2933 KiB  
Article
Frequency Regulation for High Wind Penetration Power System Based on Ocean Predator Algorithm Considering Storage Battery State
by Yingjie Hu, Chenggen Wang and Xiaoming Zou
Energies 2025, 18(3), 671; https://doi.org/10.3390/en18030671 - 31 Jan 2025
Viewed by 432
Abstract
The high penetration and uncertainty of renewable energy sources, such as wind, in modern power systems make traditional automatic generation control (AGC) methods more challenging. In order to improve the frequency stability of the power system under the high proportion of wind power [...] Read more.
The high penetration and uncertainty of renewable energy sources, such as wind, in modern power systems make traditional automatic generation control (AGC) methods more challenging. In order to improve the frequency stability of the power system under the high proportion of wind power penetration, the inherent fast-response characteristics of energy storage allow bidirectional adjustments with the system. However, storage power becomes insufficient when the state of charge (SOC) approaches its upper or lower limits, at this time, it is difficult to take into account both the state of charge protection of the energy storage and the effect of frequency regulation. Based on the purpose of testing the grid frequency containment reserve (FCR) performance and efficient use of frequency modulation resources, this paper proposes a wind power high penetration system frequency modulation control strategy considering the storage state of charge by constructing a two-zone automatic generation control system model containing wind power, using an improved adaptive ocean predator algorithm to optimise the frequency modulation responsibility allocation method in real time, and formulating a real-time management scheme for storage state of charge. Finally, the different control strategies are compared and analysed by MATLAB 2018b/Simulink under different loads and wind speeds, and their effectiveness is verified by the frequency offset and state of charge offset, so as to optimise the effect of frequency modulation while maintaining the state of charge of energy storage. Full article
(This article belongs to the Section D: Energy Storage and Application)
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<p>Analysis of system frequency characteristics.</p>
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<p>Single-area AGC model with wind turbine generators.</p>
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<p>Equivalent model of energy storage system.</p>
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<p>Capacity control laws for storage self-restoration conditions.</p>
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<p>Dynamic model of regional power grid frequency regulation based on ACE control mode.</p>
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<p>Flowchart of the adaptive ocean predator climbing algorithm.</p>
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<p>(<b>a</b>) Wind speed input for Case 1, (<b>b</b>) fan output for Case 1, (<b>c</b>) change in frequency deviation in region, and (<b>d</b>) change in frequency deviation in Region 2.</p>
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<p>(<b>a</b>) Wind speed input for Case 2, (<b>b</b>) fan output for Case 2, (<b>c</b>) change in frequency deviation in Region 1, (<b>d</b>) change in frequency deviation in Region 2.</p>
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<p>(<b>a</b>) Stochastic wind speed variation, (<b>b</b>) fan output for Case 3, (<b>c</b>) randomised load changes in Region 1, (<b>d</b>) randomised load changes in Region 2, (<b>e</b>) change in frequency deviation in Region 1, and (<b>f</b>) change in frequency deviation in Region 2.</p>
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<p>(<b>a</b>) SOC variation curve of storage battery, (<b>b</b>) Area 1 energy storage action depth response curve.</p>
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22 pages, 7318 KiB  
Article
One-Dimensional Electro-Thermal Modelling of Battery Pack Cooling System for Heavy-Duty Truck Application
by Mateusz Maciocha, Thomas Short, Udayraj Thorat, Farhad Salek, Harvey Thompson and Meisam Babaie
Batteries 2025, 11(2), 55; https://doi.org/10.3390/batteries11020055 - 31 Jan 2025
Viewed by 598
Abstract
The transport sector is responsible for nearly a quarter of global CO2 emissions annually, underscoring the urgent need for cleaner, more sustainable alternatives such as electric vehicles (EVs). However, the electrification of heavy goods vehicles (HGVs) has been slow due to the [...] Read more.
The transport sector is responsible for nearly a quarter of global CO2 emissions annually, underscoring the urgent need for cleaner, more sustainable alternatives such as electric vehicles (EVs). However, the electrification of heavy goods vehicles (HGVs) has been slow due to the substantial power and battery capacity required to match the large payloads and extended operational ranges. This study addresses the research gap in battery pack design for commercial HGVs by investigating the electrical and thermal behaviour of a novel battery pack configuration using an electro-thermal model based on the equivalent circuit model (ECM). Through computationally efficient 1D modelling, this study evaluates critical factors such as cycle ageing, state of charge (SoC), and their impact on the battery’s range, initially estimated at 285 km. The findings of this study suggest that optimal cooling system parameters, including a flow rate of 18 LPM (litres per minute) and actively controlling the inlet temperature within ±7.8 °C, significantly enhance thermal performance and stability. This comprehensive electro-thermal assessment and the advanced cooling strategy set this work apart from previous studies centred on smaller EV applications. The findings provide a foundation for future research into battery thermal management system (BTMS) design and optimised charging strategies, both of which are essential for accelerating the industrial deployment of electrified HGVs. Full article
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<p>Rendering of the battery pack in the truck with and without aero covers.</p>
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<p>3D CAD model of battery module with cooling channels.</p>
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<p>Electrical battery model design (inputs, modelling, and output).</p>
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<p>Schematic diagrams: (<b>a</b>) equivalent circuit model for Li-ion cell; (<b>b</b>) equivalent circuit model of nRC model.</p>
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<p>Velocity and inclination profiles for long haul.</p>
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<p>Velocity and inclination profiles for the AVL cycle.</p>
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<p>Battery cell thermal model in MATLAB/Simulink R2023b.</p>
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<p>Overview of the 1D electro-thermal Simulink model used in the current study.</p>
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<p>Power demand per pack for (<b>a</b>) long-haul cycle, (<b>b</b>) AVL cycle.</p>
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<p>SoC profiles over time for different initial SoC and SoH conditions during long-haul cycle.</p>
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<p>SoC profiles over time for different initial SoC and SoH conditions during AVL Cycle.</p>
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<p>Median temperature increase in the battery pack exposed to 0.714 C at different coolant flow rates.</p>
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<p>Temperature increase and difference at 3600 s of maximum C-rates from AVL drive cycle.</p>
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<p>Decrease in temperature of battery pack at varying coolant inlet temperatures at 0.714 C (100% SoH) and 40 °C ambient temperature.</p>
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<p>Temperature change in battery pack at varying coolant inlet temperatures at 3600 s of 0.714 C (100% SoH).</p>
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<p>Battery pack temperature during AVL drive cycle loading.</p>
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23 pages, 6367 KiB  
Article
Prediction of Silicon Content in a Blast Furnace via Machine Learning: A Comprehensive Processing and Modeling Pipeline
by Omer Raza, Nicholas Walla, Tyamo Okosun, Kosta Leontaras, Jason Entwistle and Chenn Zhou
Materials 2025, 18(3), 632; https://doi.org/10.3390/ma18030632 - 30 Jan 2025
Viewed by 469
Abstract
Silicon content plays an important role in determining the operational efficiency of blast furnaces (BFs) and their downstream processes in integrated steelmaking; however, existing sampling methods and first-principles models are somewhat limited in their capability and flexibility. Current data-based prediction models primarily rely [...] Read more.
Silicon content plays an important role in determining the operational efficiency of blast furnaces (BFs) and their downstream processes in integrated steelmaking; however, existing sampling methods and first-principles models are somewhat limited in their capability and flexibility. Current data-based prediction models primarily rely on a limited set of manually selected furnace parameters. Additionally, different BFs present a diverse set of operating parameters and state variables that are known to directly influence the hot metal’s silicon content, such as fuel injection, blast temperature, and raw material charge composition, among other process variables that have their own impacts. The expansiveness of the parameter set adds complexity to parameter selection and processing. This highlights the need for a comprehensive methodology to integrate and select from all relevant parameters for accurate silicon content prediction. Providing accurate silicon content predictions would enable operators to adjust furnace conditions dynamically, improving safety and reducing economic risk. To address these issues, a two-stage approach is proposed. First, a generalized data processing scheme is proposed to accommodate diverse furnace parameters. Second, a robust modeling pipeline is used to establish a machine learning (ML) model capable of predicting hot metal silicon content with reasonable accuracy. The method employed herein predicted the average Si content of the upcoming furnace cast with an accuracy of 91% among 200 target predictions for a specific furnace provisioned by the XGBoost model. This prediction is achieved using only the past shift’s operating conditions, which should be available in real time. This performance provides a strong baseline for the modeling approach with potential for further improvement through provision of real-time features. Full article
(This article belongs to the Special Issue Metallurgical Process Simulation and Optimization (3rd Edition))
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<p>Key processing and modeling steps delineating a generalized pipeline adaptable to furnace-specific data processing.</p>
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<p>Data type inference via regex, unique count, and configurable thresholds.</p>
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<p>Histogram of a feature skewed around 0, coupled with beta curve fitting as a guide, indicating invalid or unknown titanium content values rather than the absence of titanium.</p>
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<p>Linkage among tables in our data source, with gray-marked non-influencing or linking columns removed downstream manually or via VIF.</p>
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<p>Time series plot of a thermocouple with anomalous readings detected in red.</p>
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<p>Static and dynamic thresholds identify out-of-range readings and spikes (red).</p>
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<p>Correlation map indicating high correlations between proximal thermocouple readings.</p>
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<p>Coke rate (<b>left</b>) and natural gas injection rate (<b>right</b>) illustrating lag factors of 4 casts and 1 cast (current input cast) respectively.</p>
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<p>Representation of data standardization via (<b>a</b>) a numerical transform, (<b>b</b>) a categorical-to-ordinal transform, and (<b>c</b>) an MCA transform with one component shown.</p>
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<p>Subsection of a decision tree from the XGB ensemble, illustrating feature splits and standardized silicon content predictions.</p>
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<p>Relative accuracy of different models, such as XGBoost, Neural Network (NN), Support Vector Regression (SVR), and Linear Regression (LR), and the commercial Neuroshell software coupled with our data processing pipeline.</p>
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<p>Parity plot and residual error distribution between predicted and actual silicon content, with equivariance, indicating minimal prediction bias.</p>
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<p>XGBoost model predictions compared to real (normalized) Si% content on randomly chosen but temporally sorted cast samples.</p>
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<p>SHAP values for select important features indicating their impact on the model’s output and the individual contribution of the features.</p>
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<p>Box plots and KDEs of the most important features and silicon output, grouped by higher and lower modeling predictive error.</p>
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<p>Higher (<b>top</b>) and lower (<b>bottom</b>) model predictive error cases. Higher errors are observed across noisy and oscillating local periods of silicon content production.</p>
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