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Search Results (233)

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12 pages, 5726 KiB  
Article
Computer-Assisted Evaluation of Zygomatic Fracture Outcomes: Case Series and Proposal of a Reproducible Workflow
by Simone Benedetti, Andrea Frosolini, Flavia Cascino, Laura Viola Pignataro, Leonardo Franz, Gino Marioni, Guido Gabriele and Paolo Gennaro
Tomography 2025, 11(2), 19; https://doi.org/10.3390/tomography11020019 - 18 Feb 2025
Viewed by 285
Abstract
Background: Zygomatico-maxillary complex (ZMC) fractures are prevalent facial injuries with significant functional and aesthetic implications. Computer-assisted surgery (CAS) offers precise surgical planning and outcome evaluation. The study aimed to evaluate the application of CAS in the analysis of ZMC fracture outcomes and to [...] Read more.
Background: Zygomatico-maxillary complex (ZMC) fractures are prevalent facial injuries with significant functional and aesthetic implications. Computer-assisted surgery (CAS) offers precise surgical planning and outcome evaluation. The study aimed to evaluate the application of CAS in the analysis of ZMC fracture outcomes and to propose a reproducible workflow for surgical outcome assessment using cephalometric landmarks. Methods: A retrospective cohort study was conducted on 16 patients treated for unilateral ZMC fractures at the Maxillofacial Surgery Unit of Siena University Hospital (2017–2024). Inclusion criteria included ZMC fractures classified as Zingg B or C, treated via open reduction and internal fixation (ORIF). Pre- and post-operative CT scans were processed for two- and three-dimensional analyses. Discrepancies between CAS-optimized reduction and achieved surgical outcomes were quantified using cephalometric landmarks and volumetric assessments. Results: Out of the 16 patients (69% male, mean age 48.1 years), fractures were predominantly on the right side (81%). CAS comparison between the post-operative and the contralateral side revealed significant asymmetries along the X and Y axes, particularly in the fronto-zygomatic suture (FZS), zygo-maxillary point (MP), and zygo-temporal point (ZT). Computer-assisted comparison between the post-operative and the CAS-simulated reductions showed statistical differences along all three orthonormal axes, highlighting the challenges in achieving ideal symmetry despite advanced surgical techniques. CAS-optimized reductions demonstrated measurable improvements compared to traditional methods, underscoring their utility in outcome evaluation. Conclusions: CAS technology enhances the precision of ZMC fracture outcome evaluation, allowing for detailed comparison between surgical outcomes and virtual simulations. Its application underscores the potential for improved surgical planning and execution, especially in complex cases. Future studies should focus on expanding sample size, refining workflows, and integrating artificial intelligence to automate processes for broader clinical applicability. Full article
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<p>Example of cephalometric analysis in a computer-assisted virtual left ZMC fracture. On the left (<b>A</b>), the five cephalometric zygomatic points, proposed by Giran, are shown: FZF, foramen of the zygomaticofacial nerve; FZS, zygomaticofrontal suture; MP, zygo-maxillar point; ZT, zygo-temporal inferior; OR, orbitale. On the center and on the right is an example of visual cephalometric analysis visualization in an oblique projection (<b>B</b>) and in a Worms-Bretton projection (<b>C</b>), highlighting the measurements between each point and the three orthonormal planes X, Y, and Z.</p>
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<p>Example of computer-assisted reposition simulation: on the left side (<b>A</b>), the pre-operative situation with a conspicuously dislocated ZMC (red); on the center (<b>B</b>), the ZMC (blue) is virtually repositioned. On the right side (<b>C</b>), the superimposition of the two ZMC positions, highlighting the simulated symmetrization of the midface.</p>
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<p>Frontal (<b>A</b>), oblique (<b>B</b>), lateral (<b>C</b>), and downward inclined (<b>D</b>) projections showing the superimposition between the actual post-operative result (green) and the virtually simulated position of the zygoma (in beige the skull, in orange the repositioned zygoma), emphasizing the undercorrection of the post-operative ZMC when compared to the computer-assisted “optimal” position.</p>
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13 pages, 2946 KiB  
Article
Impact of the Reynolds Numbers on the Velocity of Floating Microplastics in Open Channels
by Jiachen Li, Zhichao Wang, Weiping Li, Shuangyi Jing, Caio Graco-Roza and Lauri Arvola
Water 2025, 17(4), 588; https://doi.org/10.3390/w17040588 - 18 Feb 2025
Viewed by 297
Abstract
Quantitatively analyzing the factors influencing the horizontal migration of microplastics (MPs) in water bodies and understanding their movement patterns are crucial for explaining and predicting their transport principles and final destinations. This study used nearly spherical polyethylene (PE), polypropylene (PP), and polystyrene (PS) [...] Read more.
Quantitatively analyzing the factors influencing the horizontal migration of microplastics (MPs) in water bodies and understanding their movement patterns are crucial for explaining and predicting their transport principles and final destinations. This study used nearly spherical polyethylene (PE), polypropylene (PP), and polystyrene (PS) MPs as experimental subjects. By tracking their motion characteristics through video recording, we established relationships among the Reynolds number (Re), MP density, and floating velocity. The results showed that the Re and MP density jointly affect the horizontal drift of MPs. The horizontal floating velocity of MPs significantly increases with the increase in the Re and shows a power function growth trend. The difference in density of MPs mainly affects their dispersion during the floating process. Moreover, the coefficient of variation (CV) of PP’s horizontal floating velocity increased with the Re, suggesting PP’s motion is more random and discrete than that of PE and PS. Ultimately, we fitted the horizontal floating velocity of MPs to the equation to comprehensively evaluate the relationship between the floating velocity, Re, and density of MPs. This analysis underscores that the Re predominantly influences the MP velocity in water, while the MP density chiefly impacts the discrete nature of their motion. Full article
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<p>Constrained factors affecting the horizontal migration of MPs in water.</p>
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<p>Experimental setup: (<b>a</b>) schematic of experimental section, (<b>b</b>) concrete drawing, and (<b>c</b>) schematic of the experimental flow.</p>
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<p>Light source and MP tracking image.</p>
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<p>Effect of different Re on the horizontal floating velocity of MPs: (<b>a</b>) PE, (<b>b</b>) PP, (<b>c</b>) PS.</p>
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<p>Coefficient of variation (CV) and rate of change (k) of the horizontal floating velocity of different types of MPs: (<b>a</b>) PE, (<b>b</b>) PP, (<b>c</b>) PS.</p>
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<p>Binary logarithm-fitted surface for the horizontal velocity of MPs motion considering the MP density and Re.</p>
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37 pages, 10225 KiB  
Article
Cloud/VPN-Based Remote Control of a Modular Production System Assisted by a Mobile Cyber–Physical Robotic System—Digital Twin Approach
by Georgian Simion, Adrian Filipescu, Dan Ionescu and Adriana Filipescu
Sensors 2025, 25(2), 591; https://doi.org/10.3390/s25020591 - 20 Jan 2025
Viewed by 892
Abstract
This paper deals with a “digital twin” (DT) approach for processing, reprocessing, and scrapping (P/R/S) technology running on a modular production system (MPS) assisted by a mobile cyber–physical robotic system (MCPRS). The main hardware architecture consists of four line-shaped workstations (WSs), a wheeled [...] Read more.
This paper deals with a “digital twin” (DT) approach for processing, reprocessing, and scrapping (P/R/S) technology running on a modular production system (MPS) assisted by a mobile cyber–physical robotic system (MCPRS). The main hardware architecture consists of four line-shaped workstations (WSs), a wheeled mobile robot (WMR) equipped with a robotic manipulator (RM) and a mobile visual servoing system (MVSS) mounted on the end effector. The system architecture integrates a hierarchical control system where each of the four WSs, in the MPS, is controlled by a Programable Logic Controller (PLC), all connected via Profibus DP to a central PLC. In addition to the connection via Profibus of the four PLCs, related to the WSs, to the main PLC, there are also the connections of other devices to the local networks, LAN Profinet and LAN Ethernet. There are the connections to the Internet, Cloud and Virtual Private Network (VPN) via WAN Ethernet by open platform communication unified architecture (OPC-UA). The overall system follows a DT approach that enables task planning through augmented reality (AR) and uses virtual reality (VR) for visualization through Synchronized Hybrid Petri Net (SHPN) simulation. Timed Petri Nets (TPNs) are used to control the processes within the MPS’s workstations. Continuous Petri Nets (CPNs) handle the movement of the MCPRS. Task planning in AR enables users to interact with the system in real time using AR technology to visualize and plan tasks. SHPN in VR is a combination of TPNs and CPNs used in the virtual representation of the system to synchronize tasks between the MPS and MCPRS. The workpiece (WP) visits stations successively as it is moved along the line for processing. If the processed WP does not pass the quality test, it is taken from the last WS and is transported, by MCPRS, to the first WS where it will be considered for reprocessing or scrapping. Full article
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<p>Four-WSs MPS 200 assisted by MCPRS; PeopleBot WMR equipped with Cyton 1500 RM and MVSS with Logitech camera.</p>
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<p>IoT edge devices, Profibus DP, LAN Profinet, LAN Ethernet, WAN Ethernet, and networking.</p>
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<p>Five levels of architecture for remote or local control of MPS assisted by MCPRS.</p>
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<p>WP along MPS’s workstations, MCPRS’s movements, and WP’s picking and placing by RM and MVSS.</p>
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<p>Node-RED, P/R/S task planning augmented reality.</p>
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<p>Structure of SHPN model: TPN_1, TPN_2, and TPN_3 for P/R/S on MPS, and CPN_1 and CPN_2 for MCPRS movements.</p>
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<p>SHPN model (TPN_1, TPN_2, TPN_3, CPN_1, and CPN_2) of P/R/S operations on MPS assisted by MCPRS.</p>
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<p>Sirphyco simulation of the TPN_1 model for processing on MPS.</p>
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<p>Sirphyco simulation of the TPN_2 model for reprocessing on MPS.</p>
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<p>Sirphyco simulation of the TPN_3 model for scrapping on MPS.</p>
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<p>Sirphyco simulation of CPN_1 and CPN_2 models for MCPRS forward and backward displacements.</p>
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<p>MobileSim (<b>a</b>) forward and (<b>b</b>) backward trajectories of MCPRS around MPS.</p>
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<p>Communication block set between MPS assisted by MCPRS and local PCs. HMI-MCPRS. and HMI-MPS.</p>
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<p>Monitoring signals from master PLC for WP’s processing.</p>
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<p>Monitoring signals from master PLC for WP’s reprocessing.</p>
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<p>Monitoring signals from master PLC for WP’s scrapping.</p>
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<p>MCPRS control loops. (<b>A</b>) PeopleBot WMR control loop. (<b>B</b>) Cyton RM control loop. (<b>C</b>) MVSS control loop.</p>
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<p>MVSS-based Cyton RM control for WP’s picking up from WS4. In the top-left medallion is WP’s detection with the following steps: conversion from RGB to HSV; image segmentation after the color has been found between the HSV limits and the shape corresponding to the object has been found; object color and shape have been found and is being tracked.</p>
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<p>MVSS-based Cyton RM for WP being placed on WS1. In the top-left medallion is reference point detection with the following steps: conversion from RGB to HSV; image segmentation after the color has been found between the HSV limits and the shape corresponding to the reference has been found; reference object color and shape have been found and is being tracked.</p>
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<p>Estimated (desired) and physical (real) 3D trajectories of Cyton RM for: (<b>a</b>) WP’s picking from WS4; (<b>b</b>) WP’s placing on WS1.</p>
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<p>Simulated and physical real trajectories evolution over time for (<b>a</b>) X and Z axis and (<b>b</b>) Y axis for picking the workpiece.</p>
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<p>Simulated and physical real trajectories evolution over time for (<b>a</b>) X and Z axis and (<b>b</b>) Y axis for placing the workpiece.</p>
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<p>MCPRS’s real-time and simulated in MobileSim trajectories; (<b>a</b>) along X-axis, (<b>b</b>) along Y-axis, and (<b>c</b>) MCPRS’s X and Y axis deviations.</p>
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16 pages, 7246 KiB  
Article
Thermodynamic Properties of γ- and δ-Lactones: Exploring Alkyl Chain Length Effect and Ring-Opening Reactions for Green Chemistry Applications
by Ana L. R. Silva, Gastón P. León, Vladimír Lukeš, Erik Klein and Maria D. M. C. Ribeiro da Silva
Molecules 2025, 30(2), 399; https://doi.org/10.3390/molecules30020399 - 18 Jan 2025
Viewed by 480
Abstract
An extensive thermochemical study of γ-undecanolactone and δ-undecanolactone has been developed using two complementary calorimetric techniques. The combustion energy of each compound was determined by static-bomb combustion calorimetry, and the corresponding enthalpy of vaporization was determined by high-temperature Calvet microcalorimetry, in which both [...] Read more.
An extensive thermochemical study of γ-undecanolactone and δ-undecanolactone has been developed using two complementary calorimetric techniques. The combustion energy of each compound was determined by static-bomb combustion calorimetry, and the corresponding enthalpy of vaporization was determined by high-temperature Calvet microcalorimetry, in which both properties of each compound are reported at T = 298.15 K. The standard molar enthalpy of formation in the gas phase of each lactone was derived by the combination of the experimental results. Additionally, high-level computational calculations were carried out, using composite ab initio G4 and G4(MP2) methods, as well as DFT M06-2X/6-311++G(d,p) approach, to estimate the corresponding enthalpy of formation in the gas phase. The experimental and computational results are in good agreement. The G4 and G4(MP2) methods show the best accordance with experimentally determined gas phase enthalpies of formation. The experimental results are discussed in terms of structural contributions to the energetic properties of the lactones studied, as well as to other alkylated γ- and δ-lactones, and empirical correlations are suggested for the estimation of the standard molar enthalpies of formation, at T = 298.15 K, for other alkylated γ- and δ-lactones, both in the liquid and gaseous phases, as well as for the respective enthalpies of vaporization. Finally, the thermochemistry of individual steps of lactone ring opening and successive decarboxylation mechanism, including the identification of transition states, was studied using the M06-2X/6-311++G(d,p) approach. Full article
(This article belongs to the Special Issue Thermodynamics of Organic Materials)
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<p>Structural formulae of γ-undecanolactone and δ-undecanolactone.</p>
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<p>The molecular structures of the most stable conformation of γUL and δUL in the gaseous phase, optimized by the M06-2X/6-311++G(d,p) level of theory. Visualizations were performed in Avogadro program [<a href="#B20-molecules-30-00399" class="html-bibr">20</a>].</p>
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<p>Structures of γ-lactones (left side) and δ-lactones (right side) used in the estimates.</p>
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<p>Plots of the standard molar enthalpies of γ-lactones with the respective number of carbon atoms in each structure (<a href="#molecules-30-00399-t008" class="html-table">Table 8</a>).</p>
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<p>Plots of the standard molar enthalpies of δ-lactones with the respective number of carbon atoms in each structure (<a href="#molecules-30-00399-t009" class="html-table">Table 9</a>).</p>
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<p>Reaction scheme of final products formation.</p>
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<p>Plausible mechanism of lactone ring opening and successive decarboxylation.</p>
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13 pages, 4312 KiB  
Article
Numerical Simulation Study of Electromagnetic Pulse in Low-Altitude Nuclear Explosion Source Regions
by Zhaomin Li, Jiarong Dong, Bing Wei and Xinbo He
Electronics 2025, 14(2), 337; https://doi.org/10.3390/electronics14020337 - 16 Jan 2025
Viewed by 641
Abstract
A nuclear electromagnetic pulse (NEMP) is the fourth effect of a nuclear explosion, characterized by a strong electromagnetic field that can instantly damage electronic devices. To investigate the spatial field value distribution characteristics of the source region of low-altitude NEMPs, this study employed [...] Read more.
A nuclear electromagnetic pulse (NEMP) is the fourth effect of a nuclear explosion, characterized by a strong electromagnetic field that can instantly damage electronic devices. To investigate the spatial field value distribution characteristics of the source region of low-altitude NEMPs, this study employed a finite-difference time-domain (FDTD) method based on a rotating ellipsoidal hyperbolic coordinate system. Due to intense field variations near the explosion center, non-uniform grids were employed for both spatial and temporal steps, and an OpenMP parallel algorithm was utilized to enhance computational efficiency. Analysis focused on the following two scenarios: varying angles at a constant distance and varying distances at a constant angle, considering both transverse magnetic (TM) and transverse electric (TE) waves. The results indicate that the spatial field value distribution characteristics differ between the two wave types. For TM waves, the electric and magnetic fields share the same polarity, but their waveform polarities are opposite above and below the explosion center. A TE wave is exactly the opposite. Compared with a TM wave, a TE wave has stronger peak electromagnetic fields but narrower pulse widths and lower overall energy. This research provides significant support for the development of nuclear explosion detection technology and offers theoretical foundations for the protection of surrounding environmental facilities. Full article
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<p>Comparison of the relative occurrence rates of three processes as a function of photon energy and atomic number the medium.</p>
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<p>Schematic diagram of low–altitude NEMP generation.</p>
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<p>The geometric schematic diagram of the spherical coordinate system (<math display="inline"><semantics> <mrow> <mi>r</mi> <mo>,</mo> <mi>θ</mi> <mo>,</mo> <mi>ϕ</mi> </mrow> </semantics></math>) and the rotating ellipsoid–hyperbolic orthogonal coordinate system (<math display="inline"><semantics> <mrow> <mi>ξ</mi> <mo>,</mo> <mi>ζ</mi> <mo>,</mo> <mi>ϕ</mi> </mrow> </semantics></math>) at the field point P.</p>
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<p>Comparison of results between the study and existing literature.</p>
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<p>Distribution map of source area under specific conditions.</p>
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<p>Schematic diagram of nuclear explosion points and observation points from different angles at the same distance.</p>
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<p>Comparison of field time–domain waveforms during angle variation of TM wave. (<b>a</b>) Electric field; (<b>b</b>) magnetic field.</p>
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<p>Comparison of field time–domain waveforms during angle variation of TE Wave. (<b>a</b>) Electric field; (<b>b</b>) magnetic field.</p>
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<p>Schematic diagram of nuclear explosion points and observation points from different distances at the same angle.</p>
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<p>Comparison of field time–domain waveforms during distance variation of TM wave. (<b>a</b>) Electric field above the explosion center; (<b>b</b>) magnetic field above the explosion center; (<b>c</b>) electric field below the explosion center; (<b>d</b>) magnetic field below the explosion center.</p>
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<p>Comparison of field time–domain waveforms during distance variation of TE wave. (<b>a</b>) Electric field; (<b>b</b>) magnetic field.</p>
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15 pages, 2807 KiB  
Article
Automatic Characterization of Prostate Suspect Lesions on T2-Weighted Image Acquisitions Using Texture Features and Machine-Learning Methods: A Pilot Study
by Teodora Telecan, Cosmin Caraiani, Bianca Boca, Roxana Sipos-Lascu, Laura Diosan, Zoltan Balint, Raluca Maria Hendea, Iulia Andras, Nicolae Crisan and Monica Lupsor-Platon
Diagnostics 2025, 15(1), 106; https://doi.org/10.3390/diagnostics15010106 - 4 Jan 2025
Viewed by 824
Abstract
Background: Prostate cancer (PCa) is the most frequent neoplasia in the male population. According to the International Society of Urological Pathology (ISUP), PCa can be divided into two major groups, based on their prognosis and treatment options. Multiparametric magnetic resonance imaging (mpMRI) [...] Read more.
Background: Prostate cancer (PCa) is the most frequent neoplasia in the male population. According to the International Society of Urological Pathology (ISUP), PCa can be divided into two major groups, based on their prognosis and treatment options. Multiparametric magnetic resonance imaging (mpMRI) holds a central role in PCa assessment; however, it does not have a one-to-one correspondence with the histopathological grading of tumors. Recently, artificial intelligence (AI)-based algorithms and textural analysis, a subdivision of radiomics, have shown potential in bridging this gap. Objectives: We aimed to develop a machine-learning algorithm that predicts the ISUP grade of manually contoured prostate nodules on T2-weighted images and classifies them into clinically significant and indolent ones. Materials and Methods: We included 55 patients with 76 lesions. All patients were examined on the same 1.5 Tesla mpMRI scanner. Each nodule was manually segmented using the open-source 3D Slicer platform, and textural features were extracted using the PyRadiomics (version 3.0.1) library. The software was based on machine-learning classifiers. The accuracy was calculated based on precision, recall, and F1 scores. Results: The median age of the study group was 64 years (IQR 61–68), and the mean PSA value was 11.14 ng/mL. A total of 85.52% of the nodules were graded PI-RADS 4 or higher. Overall, the algorithm classified indolent and clinically significant PCas with an accuracy of 87.2%. Further, when trained to differentiate each ISUP group, the accuracy was 80.3%. Conclusions: We developed an AI-based decision-support system that accurately differentiates between the two PCa prognostic groups using only T2 MRI acquisitions by employing radiomics with a robust machine-learning architecture. Full article
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<p>Dataset sample images, representing manually segmented T2WI images.</p>
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<p>Graphical description of the study protocol.</p>
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<p>Graphical representation of the classification algorithm.</p>
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23 pages, 4085 KiB  
Article
Polyamide Microparticles with Immobilized Enological Pectinase as Efficient Biocatalysts for Wine Clarification: The Role of the Polymer Support
by Sandra C. Oliveira, Samuel M. Araújo, Nadya V. Dencheva and Zlatan Z. Denchev
Molecules 2025, 30(1), 114; https://doi.org/10.3390/molecules30010114 - 30 Dec 2024
Viewed by 733
Abstract
Free pectinase is commonly employed as a biocatalyst in wine clarification; however, its removal, recovery, and reuse are not feasible. To address these limitations, this study focuses on the immobilization of a commercial pectinolytic preparation (Pec) onto highly porous polymer microparticles (MPs). Seven [...] Read more.
Free pectinase is commonly employed as a biocatalyst in wine clarification; however, its removal, recovery, and reuse are not feasible. To address these limitations, this study focuses on the immobilization of a commercial pectinolytic preparation (Pec) onto highly porous polymer microparticles (MPs). Seven microparticulate polyamide (PA) supports, namely PA4, PA6, PA12 (with and without magnetic properties), and the copolymeric PA612 MP, were synthesized through activated anionic ring-opening polymerization of various lactams. Pectinase was non-covalently immobilized on these supports by adsorption, forming Pec@PA conjugates. Comparative activity and kinetic studies revealed that the Pec@PA12 conjugate exhibited more than twice the catalytic efficiency of the free enzyme, followed by Pec@PA6-Fe and Pec@PA4-Fe. All Pec@PA complexes were tested in the clarification of industrial rosé must, demonstrating similar or better performance compared to the free enzyme. Some immobilized biocatalysts supported up to seven consecutive reuse cycles, maintaining up to 50% of their initial activity and achieving complete clarification within 3–30 h across three consecutive cycles of application. These findings highlight the potential for industrial applications of noncovalently immobilized pectinase on various polyamide microparticles, with possibilities for customization of the conjugates’ properties. Full article
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<p>Selected SEM micrographs of empty supports and pectine-immobilized conjugates: (<b>a</b>,<b>b</b>) PA4; (<b>c</b>,<b>d</b>) Pec@PA4; (<b>e</b>,<b>f</b>) PA6; (<b>g</b>,<b>h</b>) Pec@PA6; (<b>i</b>,<b>j</b>) PA12; (<b>k</b>,<b>l</b>) Pec@PA12-Fe; (<b>m</b>,<b>n</b>) PA612; (<b>o</b>,<b>p</b>) Pec@PA612 complexes.</p>
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<p>Quantification of the pectinase immobilization: (<b>a</b>) UV/VIS spectra of the Viazym solutions before and after adsorption immobilization on seven different MP supports; (<b>b</b>) immobilization yield for all Pec@PA and Pec@PA-Fe pectinolytic complexes. For more data, see the text.</p>
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<p>Selected FTIR spectra of PA6 supports, before (<b>a</b>) and after (<b>b</b>) noncovalent Pec immobilization. The two arrows in (<b>b</b>) indicate the Pec bands present in the Pec@PA6 spectra.</p>
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<p>Activity assay of pectinolytic biocatalysts by the DNS method. (<b>a</b>) reaction scheme of the interaction between 3,5-DNS and D-galacturonic acid (GA); (<b>b</b>) the standard calibration curve constructed with various concentrations of GA.</p>
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<p>Activity of Pec@PA immobilized conjugates in comparison to free Pec: (<b>a</b>) absolute activity. The small yellow bars in <b>a</b>) show the “activity” values of the respective empty PA supports.; (<b>b</b>) specific activity per unit enzyme (free or immobilized).</p>
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<p>Selected kinetic curves and their best fits with Model 2 (blue curves) and Model 3 (green curves) for: (<b>a</b>) comparison of all experimental curves; (<b>b</b>) free pectinase; (<b>c</b>) Pec@PA4-Fe; (<b>d</b>) Pec@PA6-Fe; (<b>e</b>) Pec@PA12; (<b>f</b>) Pec@PA612.</p>
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<p>Consolidated results from the kinetics studies. <span class="html-italic">CE =</span> catalyst efficiency, <span class="html-italic">K<sub>i</sub></span> = inhibition constant. The dashed lines are guides for the eye, highlighting the data of the free enzyme reference.</p>
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<p>Clarification studies with free and immobilized pectinase preparations: (<b>a</b>) free Pec compared to PA4- and PA6-based Pec@PA complexes; (<b>b</b>) free Pec compared to PA12-based Pec@PA complexes. All immobilized catalysts contain 0.15 a.u. of pectinolytic enzyme; the same amount is present in the free Pec catalyst. The dashed lines indicate the level of 20 NTUs, below which the must is considered completely clarified, i.e., not containing pectin. The visual aspects of the must before and after clarification are presented in the upper and lower photographs, respectively.</p>
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<p>Color changes in treated rosé must samples: (<b>a</b>) UV/VIS spectra; (<b>b</b>) data at 420, 520, and 620 nm; (<b>c</b>) <span class="html-italic">I</span> and <span class="html-italic">N</span> color parameters before and after treatment with various pectinolytic catalysts. “Pec” in most sample labels is omitted for better readability. Bar colors in (<b>c</b>) distinguish untreated must and that with free Pec treatment from all other samples. For more details, see <a href="#sec3dot9-molecules-30-00114" class="html-sec">Section 3.9</a>.</p>
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<p>Clarification studies of rosé must with Pec@PA systems in several different clarification cycles: (<b>a</b>) with Pec@PA4 and Pec@PA4-Fe; (<b>b</b>) with Pec@PA6, Pec@PA6-Fe, and Pec@PA612; (<b>c</b>) with Pec@PA12 and Pec@PA12-Fe. All immobilized catalysts contain 0.15 a.u. of the pectinolytic enzyme. The dashed lines indicate the level of 20 NTUs, below which the must is completely clarified.</p>
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<p>Relative activity of immobilized Pec@PA pectinolytic catalysts over eight application cycles. The red dashed line indicates 50% relative activity. Initial activity (<a href="#molecules-30-00114-f005" class="html-fig">Figure 5</a>b) is set to 100% for each complex. See text for details.</p>
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<p>Storage stability of immobilized Pec@PA pectinolytic catalysts over four weeks at 4 °C. Initial activity (<a href="#molecules-30-00114-f005" class="html-fig">Figure 5</a>b) is normalized to 100% for each complex.</p>
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16 pages, 3250 KiB  
Article
Enhancing Lettuce (Lactuca sativa) Productivity: Foliar Sprayed Fe-Alg-CaCO3 MPs as Fertilizers for Aquaponics Cultivation
by Davide Frassine, Roberto Braglia, Francesco Scuderi, Enrico Luigi Redi, Federica Valentini, Michela Relucenti, Irene Angela Colasanti, Andrea Macchia, Ivo Allegrini, Angelo Gismondi, Gabriele Di Marco and Antonella Canini
Plants 2024, 13(23), 3416; https://doi.org/10.3390/plants13233416 - 5 Dec 2024
Viewed by 783
Abstract
Aquaponics is an innovative agricultural method combining aquaculture and hydroponics. However, this balance can lead to the gradual depletion of essential micronutrients, particularly iron. Over time, decreasing iron levels can negatively impact plant health and productivity, making the monitoring and management of iron [...] Read more.
Aquaponics is an innovative agricultural method combining aquaculture and hydroponics. However, this balance can lead to the gradual depletion of essential micronutrients, particularly iron. Over time, decreasing iron levels can negatively impact plant health and productivity, making the monitoring and management of iron in aquaponic systems vital. This study investigates the use of Fe-Alg-CaCO3 microparticles (MPs) as foliar fertilizer on lettuce plants in an aquaponic system. The research investigated Lactuca sativa L. cv. Foglia di Quercia Verde plants as the experimental cultivar. Three iron concentrations (10, 50, and 250 ppm) were tested, with 15 plants per treatment group, plus a control group receiving only sterile double-distilled water. The Fe-Alg-CaCO3 MPs and ultrapure water were applied directly to the leaves using a specialized nebulizer. Foliar nebulization was chosen for its precision and minimal resource use, aligning with the sustainability goals of aquaponic cultivation. The research evaluated rosette diameter, root length, fresh weight, soluble solids concentration, levels of photosynthetic pigments, and phenolic and flavonoid content. The 250 ppm treatment produced the most notable enhancements in both biomass yield and quality, highlighting the potential of precision fertilizers to boost sustainability and efficiency in aquaponic systems. In fact, the most significant increases involved biomass production, particularly in the edible portions, along with photosynthetic pigment levels. Additionally, the analysis of secondary metabolite content, such as phenols and flavonoids, revealed no reduction compared to the control group, meaning that the proposed fertilizer did not negatively impact the biosynthetic pathways of these bioactive compounds. This study opens new possibilities in aquaponics cultivation, highlighting the potential of precision fertilizers to enhance sustainability and productivity in soilless agriculture. Full article
(This article belongs to the Section Horticultural Science and Ornamental Plants)
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<p>(<b>A</b>) SEM magnification 10 K: a microsphere is illustrated, it has a rough surface, due to incomplete fusion of constituent subunits. (<b>B</b>) SEM magnification 10 K: this image shows the microsphere inner cavity; the surface is roughest than (<b>A</b>), and constituent subunits are well visible; they have a minimum diameter of 100 nm, inset. (<b>C</b>) Region of interest (ROI) for EDX analysis. (<b>D</b>) EDX analysis element graph shows the presence of calcium, oxygen, and a small amount of Fe. Platinum, copper, and silver peaks are due to the platinum coating, the copper grid where the sample is placed, and the aluminum supporting stub.</p>
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<p>Plant samples collected on the 55th day from sowing at the end of each Fe-Alg-CaCO<sub>3</sub> MPs treatment (CT, 10, 50, and 250 ppm).</p>
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<p>Morpho-biometrical parameters. In detail, (<b>A</b>) rosette diameter; (<b>B</b>) root length; (<b>C</b>) rosette fresh weight; (<b>D</b>) root fresh weight. The <span class="html-italic">x</span>-axis denotes the treatments, while the <span class="html-italic">y</span>-axis represents the units of measurement. The significance resulting from the comparisons between the various treatments is indicated by asterisks: * <span class="html-italic">p</span> &lt; 0.05; ** <span class="html-italic">p</span> &lt; 0.005.</p>
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<p>Qualitative and quantitative data from spectrophotometric assays. In detail, (<b>A</b>) chlorophyll <span class="html-italic">a</span>; (<b>B</b>) chlorophyll <span class="html-italic">b</span>; (<b>C</b>) total chlorophyll; (<b>D</b>) carotenoids; (<b>E</b>) total phenolic content; (<b>F</b>) total flavonoid content. The <span class="html-italic">x</span>-axis denotes the treatments, and the <span class="html-italic">y</span>-axis represents units of measurement. The significance resulting from the comparisons between the various treatments is indicated by asterisks: * <span class="html-italic">p</span> &lt; 0.05; ** <span class="html-italic">p</span> &lt; 0.005.</p>
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<p>Representative flow chart for the biomineralization synthetic approach able to produce CaCO<sub>3</sub> NPs (i.e., the chemical precursor) for the second step to obtain functionalized Fe-Alg-CaCO<sub>3</sub> MPs, which can be able to act as micro-carriers for plant nutrients. Created with <a href="http://BioRender.com" target="_blank">BioRender.com</a>.</p>
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3761 KiB  
Proceeding Paper
Preservation and Archiving of Historic Murals Using a Digital Non-Metric Camera
by Suhas Muralidhar and Ashutosh Bhardwaj
Eng. Proc. 2024, 82(1), 60; https://doi.org/10.3390/ecsa-11-20519 - 26 Nov 2024
Viewed by 227
Abstract
Digital non-metric cameras with high-resolution capabilities are being used in various domains such as digital heritage, artifact documentation, art conservation, and engineering applications. In this study, a novel approach consisting of the application of the combined use of close-range photogrammetry (CRP) and mapping [...] Read more.
Digital non-metric cameras with high-resolution capabilities are being used in various domains such as digital heritage, artifact documentation, art conservation, and engineering applications. In this study, a novel approach consisting of the application of the combined use of close-range photogrammetry (CRP) and mapping techniques is used to capture the depth of a mural digitally, serving as a database for the preservation and archiving of historic murals. The open hall next to the main sanctuary of the Virupaksha temple in Hampi, Karnataka, India, which is a UNESCO World Heritage site, depicts cultural events on a mural-covered ceiling. A mirrorless Sony Alpha 7 III camera with a full-frame 24 MP CMOS sensor mounted with a 50 mm lens and 24 mm lens has been used to acquire digital photographs with an image size of 6000 × 6000 pixels. The suggested framework incorporates five main steps: data acquisition, color correction, image mosaicking, orthorectification, and image filtering. The results show a high level of accuracy and precision attained during the image capture and processing steps. A comparative study was performed in which the 24 mm lens orthoimage resulted in an image size of 9131 × 14,910 and a pixel size of 1.05 mm, whereas the 50 mm lens produced a 14,283 × 21,676 image size and a pixel size of 0.596 mm of the mural on the ceiling. This degree of high spatial resolution is essential for maintaining the fine details of the artwork in the digital documentation as well as its historical context, subtleties, and painting techniques. The study’s findings demonstrate the effectiveness of using digital sensors with the close-range photogrammetry (CRP) technique as a useful method for recording and preserving historical ceiling murals. Full article
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<p>The murals of the Virupaksha Temple’s ceiling at Hampi, Karnataka.</p>
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<p>Flowchart depicting the methodology for the archiving and preservation of murals.</p>
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<p>Camera stations and their position after the alignment stage.</p>
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<p>(<b>a</b>) Orthoimage output of the ceiling mural depicting the epics; (<b>b</b>) detailed portion(s) of the mural showcasing its quality for archiving shown by arrows.</p>
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<p>(<b>a</b>) enlarged portion of ceiling mural using 24 mm lens; (<b>b</b>) detailed portion of the mural using 50 mm lens.</p>
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16 pages, 4532 KiB  
Article
Upscaling of Copper Slag-Based Geopolymer to 3D Printing Technology
by Barbara Kozub, Mateusz Sitarz, Szymon Gądek, Celina Ziejewska, Katarzyna Mróz and Izabela Hager
Materials 2024, 17(22), 5581; https://doi.org/10.3390/ma17225581 - 15 Nov 2024
Viewed by 680
Abstract
Additive manufacturing using cement has evolved rapidly in recent decades, revolutionizing the construction industry. This technology automates building structures through computer-aided design, offering benefits such as reduced material waste, optimized material distribution, and the ability to use composite materials. This paper aims to [...] Read more.
Additive manufacturing using cement has evolved rapidly in recent decades, revolutionizing the construction industry. This technology automates building structures through computer-aided design, offering benefits such as reduced material waste, optimized material distribution, and the ability to use composite materials. This paper aims to examine the potential of using copper-slag-based geopolymers in 3D printing. Geopolymers have gained popularity as an alternative and more energy-efficient material to traditional building materials, while copper slag allows for reducing and managing mining industry waste. Moreover, samples formed in molds based on the same material were produced to evaluate the method of manufacturing on the mechanical properties of geopolymers. This paper presents an evaluation of the mechanical properties including the compressive, flexural, and shear strength of the layered material. It reveals promising results, with strength development mainly observed within the first 14 days. The results show that the compressive strength after 28 days of curing is 46.4 MP and 42.1 MPa for formed and printed samples, respectively. Furthermore, the average bending strength value ranges between 7.4 MPa and 7.8 MPa, regardless of the bending direction and forming method. The obtained results show that printed geopolymers demonstrate adequate layer bonding, confirming the profitability of the 3D printing technology. This research confirms that 3D printing technology enables the use of geopolymer binder materials based on copper slag, which opens the door to sustainable alternatives in construction practices. Full article
(This article belongs to the Special Issue Design and Properties of 3D Printing Concrete)
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<p>The particle size distribution curve (blue line) and the cumulative curve (violet line) of copper slag.</p>
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<p>XRD patterns of Koranel copper slag.</p>
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<p>The schematic of the process for the 3D-printed sample preparation.</p>
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<p>Instrumentation used during 3D printing of samples based on copper slag.</p>
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<p>Prints made of geopolymer binder based on copper slag.</p>
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<p>Test stand for compressive test: (<b>a</b>) formed samples, (<b>b</b>) printed samples.</p>
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<p>Bending strength testing: (<b>a</b>) formed samples, (<b>b</b>,<b>c</b>) printed samples, (<b>d</b>) load direction.</p>
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<p>Tensile strength test for printed samples: (<b>a</b>) holding the sample for testing, (<b>b</b>) sample after testing.</p>
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<p>Shear strength testing of printed samples and the direction of loading in relation to the layers.</p>
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<p>Compressive strength results for: (<b>a</b>) formed samples, (<b>b</b>) printed samples.</p>
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<p>Bending strength results: (<b>a</b>) formed samples, (<b>b</b>,<b>c</b>) printed samples with load in various directions.</p>
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<p>Test results for printed samples: (<b>a</b>) tensile strength, (<b>b</b>) shear strength.</p>
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17 pages, 1369 KiB  
Article
Enabling Parallel Performance and Portability of Solid Mechanics Simulations Across CPU and GPU Architectures
by Nathaniel Morgan, Caleb Yenusah, Adrian Diaz, Daniel Dunning, Jacob Moore, Erin Heilman, Evan Lieberman, Steven Walton, Sarah Brown, Daniel Holladay, Russell Marki, Robert Robey and Marko Knezevic
Information 2024, 15(11), 716; https://doi.org/10.3390/info15110716 - 7 Nov 2024
Viewed by 974
Abstract
Efficiently simulating solid mechanics is vital across various engineering applications. As constitutive models grow more complex and simulations scale up in size, harnessing the capabilities of modern computer architectures has become essential for achieving timely results. This paper presents advancements in running parallel [...] Read more.
Efficiently simulating solid mechanics is vital across various engineering applications. As constitutive models grow more complex and simulations scale up in size, harnessing the capabilities of modern computer architectures has become essential for achieving timely results. This paper presents advancements in running parallel simulations of solid mechanics on multi-core CPUs and GPUs using a single-code implementation. This portability is made possible by the C++ matrix and array (MATAR) library, which interfaces with the C++ Kokkos library, enabling the selection of fine-grained parallelism backends (e.g., CUDA, HIP, OpenMP, pthreads, etc.) at compile time. MATAR simplifies the transition from Fortran to C++ and Kokkos, making it easier to modernize legacy solid mechanics codes. We applied this approach to modernize a suite of constitutive models and to demonstrate substantial performance improvements across different computer architectures. This paper includes comparative performance studies using multi-core CPUs along with AMD and NVIDIA GPUs. Results are presented using a hypoelastic–plastic model, a crystal plasticity model, and the viscoplastic self-consistent generalized material model (VPSC-GMM). The results underscore the potential of using the MATAR library and modern computer architectures to accelerate solid mechanics simulations. Full article
(This article belongs to the Special Issue Advances in High Performance Computing and Scalable Software)
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<p>In this work, the MATAR library is used to modernize multiple Fortran material model implementations that are then coupled to the C++ Fierro mechanics code, which is also based on the MATAR library.</p>
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<p>The runtime scaling results are presented for the 2D axisymmetric, metal rod impact test conducted on both multi-core Haswell CPUs and GPU architectures. The data are displayed as wall clock time in seconds against increasing mesh resolution. Even on 2D meshes, significant accelerations of the runtime, relative to the serial, are possible on GPUs for larger mesh sizes.</p>
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<p>The runtime scaling results are presented for the 3D metal rod impact test conducted on both multi-core Haswell CPUs and GPU architectures. The data are displayed as the wall clock time in seconds against increasing the mesh resolution in 3D. The mesh resolution is the number of elements in the cross section of the rod by the number of elements in the vertical direction. Significant accelerations of the runtime, relative to the serial, are possible on GPUs for larger mesh sizes.</p>
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<p>Speedup comparisons for the 2D axisymmetric, metal rod impact test on a 40 × 416 2D cylindrical coordinate mesh using an equation of state with an isotropic hypoelastic–plastic model. Plot (<b>a</b>) presents the speedup compared to a serial run, and Plot (<b>b</b>) presents the speedup compared to a parallel 20 core run on the Haswell CPU. On a 2D mesh, GPUs give a significant boost to runtime performance over a serial and a multi-core CPU.</p>
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<p>Speedup comparisons for the 3D metal rod impact test on a mesh with 40 elements in the cross-section by 416 elements in the vertical direction using an equation of state with an isotropic hypoelastic–plastic model. Plot (<b>a</b>) presents the speedup compared to a serial run, and Plot (<b>b</b>) presents the speedup compared to a parallel 20 core run on the Haswell CPU. GPUs give a significant boost to runtime performance over a serial and a multi-core CPU.</p>
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<p>Von Mises-equivalent stress results in each element of the mesh for the 3D metal rod impact test using an elasto-viscoplastic single-crystal plasticity model.</p>
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<p>Speedup comparisons to a serial run for the 3D metal rod impact test using an elasto-viscoplastic single-crystal plasticity model. The Power9 CPU was used for the serial, 8-core, and 16-core calculations.</p>
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<p>The runtimes on a V100 GPU are shorter than 20 cores on a Power9 CPU only when there are many instances of the VPSC model.</p>
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<p>The scale-bridging VPSC-GMM model was made performant and portable across CPU and GPU architectures using the MATAR library. The speedup results are for 30, 100, 200, and 500 grains on five different computer architectures.</p>
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<p>A Taylor anvil impact test with a polycrystalline tantalum was simulated using the Fierro mechanics code with the VPSC-GMM. The rod deformation is a function of the texture of the material. The rod is colored by the von Mises stress [MPa].</p>
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<p>Speedup comparisons are shown for the VPSC-GMM coupled to the Fierro mechanics code. (<b>a</b>) Using the linear extrapolation scheme in combination with the VPSC model generates thread divergence can greatly hinder fine-grain parallelism. (<b>b</b>) Not using the linear extrapolation scheme in VPSC-GMM yields a favorable speedup on GPUs because it eliminates thread divergence.</p>
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21 pages, 15197 KiB  
Article
Correlation Analysis of Vertical Ground Movement and Climate Using Sentinel-1 InSAR
by Francesco Pirotti, Felix Enyimah Toffah and Alberto Guarnieri
Remote Sens. 2024, 16(22), 4123; https://doi.org/10.3390/rs16224123 - 5 Nov 2024
Viewed by 942
Abstract
Seasonal vertical ground movement (SVGM), which refers to the periodic vertical displacement of the Earth’s surface, has significant implications for infrastructure stability, agricultural productivity, and environmental sustainability. Understanding how SVGM correlates with climatic conditions—such as temperatures and drought—is essential in managing risks posed [...] Read more.
Seasonal vertical ground movement (SVGM), which refers to the periodic vertical displacement of the Earth’s surface, has significant implications for infrastructure stability, agricultural productivity, and environmental sustainability. Understanding how SVGM correlates with climatic conditions—such as temperatures and drought—is essential in managing risks posed by land subsidence or uplift, particularly in regions prone to extreme weather events and climate variability. The correlation of periodic SVGM with climatic data from Earth observation was investigated in this work. The European Ground Motion Service (EGMS) vertical ground movement measurements, provided from 2018 to 2022, were compared with temperature and precipitation data from MODIS and CHIRP datasets, respectively. Measurement points (MP) from the EGMS over Italy provided a value for ground vertical movement approximately every 6 days. The precipitation and temperature datasets were processed to provide drought code (DC) maps calculated ad hoc for this study at a 1 km spatial resolution and daily temporal resolution. Seasonal patterns were analyzed to assess correlations with Spearman’s rank correlation coefficient (ρ) between this measure and the DCs from the Copernicus Emergency Management Service (DCCEMS), from MODIS + CHIRP (DC1km) and from the temperature. The results over the considered area (Italy) showed that 0.46% of all MPs (32,826 MPs out of 7,193,676 MPs) had a ρ greater than 0.7; 12,142 of these had a positive correlation, and 20,684 had a negative correlation. DC1km was the climatic factor that provided the highest number of correlated MPs, roughly giving +59% more correlated MPs than DCCEMS and +300% than the temperature data. If a ρ greater than 0.8 was considered, the number of MPs dropped by a factor of 10: from 12,142 to 1275 for positive correlations and from 20,684 to 2594 for negative correlations between the DC1km values and SVGM measurements. Correlations that lagged in time resulted in most of the correlated MPs being within a window of ±6 days (a single satellite overpass time). Because the DC and temperature are strongly co-linear, further analysis to assess which was superior in explaining the seasonality of the MPs was carried out, resulting in DC1km significantly explaining more variance in the SVGM than the temperature for the inversely correlated points rather than the directly correlated points. The spatial distribution of the correlated MPs showed that they were unevenly distributed in clusters across the Italian territory. This work will lead to further investigation both at a local scale and at a pan-European scale. An interactive WebGIS application that is open to the public is available for data consultation. This article is a revised and expanded version of a paper entitled “Detection and correlation analysis of seasonal vertical ground movement measured from SAR and drought condition” which was accepted and presented at the ISPRS Mid-Term Symposium, Belem, Brasil, 8–12 November 2024. Data are shared in a public repository for the replication of the method. Full article
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<p>Combined drought indicators for the first 10-day period of July 2022 in Italy (JRC, 2024). This plot shows drought alert indicators over the northern regions, where a state of emergency was declared for this year. This event was an exceptional incident as, in general, the south of Italy is warmer than the north.</p>
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<p>Flowchart of the methodology.</p>
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<p>Histogram of frequency distribution of Spearman correlation values (<math display="inline"><semantics> <mi>ρ</mi> </semantics></math>) between <math display="inline"><semantics> <mrow> <mi>D</mi> <msub> <mi>C</mi> <mrow> <mn>1</mn> <mi>km</mi> </mrow> </msub> </mrow> </semantics></math> and SVGM at MPs [<a href="#B1-remotesensing-16-04123" class="html-bibr">1</a>].</p>
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<p>Lag time distribution of best correlations between <math display="inline"><semantics> <mrow> <mi>D</mi> <msub> <mi>C</mi> <mrow> <mn>1</mn> <mi>km</mi> </mrow> </msub> </mrow> </semantics></math> and SVGM [<a href="#B1-remotesensing-16-04123" class="html-bibr">1</a>].</p>
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<p>Lag time distribution of best correlations between temperature derived from calibrated MODIS and SVGM [<a href="#B1-remotesensing-16-04123" class="html-bibr">1</a>].</p>
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<p>(<b>a</b>) Pairwise <math display="inline"><semantics> <mrow> <mi>D</mi> <msub> <mi>C</mi> <mrow> <mi>C</mi> <mi>E</mi> <mi>M</mi> <mi>S</mi> </mrow> </msub> </mrow> </semantics></math>–<math display="inline"><semantics> <mrow> <mi>D</mi> <msub> <mi>C</mi> <mrow> <mn>1</mn> <mi>km</mi> </mrow> </msub> </mrow> </semantics></math> values of correlations with ground motion; (<b>b</b>) temperature vs. <math display="inline"><semantics> <mrow> <mi>D</mi> <msub> <mi>C</mi> <mrow> <mn>1</mn> <mi>km</mi> </mrow> </msub> </mrow> </semantics></math> correlation. Top and bottom rows are negative and positive (<math display="inline"><semantics> <mi>ρ</mi> </semantics></math>) values from correlation testing with SVGM [<a href="#B1-remotesensing-16-04123" class="html-bibr">1</a>].</p>
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<p>Top row shows the spatial distribution of negative and positive correlations (<b>left</b> and <b>right</b>) in terms of the percentage of correlated MPs with respect to the total number of MPs recorded by the European Ground Motion Service. The percentage was calculated over a regular hexagon grid overlaid onto the study area. Bottom row pinpoints areas (red dots) with the highest percentage of correlated MPs, negative (<b>bottom-left</b>) and positive (<b>bottom-right</b>).</p>
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<p>Measurement points with positive (<b>a</b>,<b>b</b>) and negative (<b>c</b>,<b>d</b>) Spearman correlation values.</p>
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<p>Time series plot showing the correlations at the respective measurement points in <a href="#remotesensing-16-04123-f008" class="html-fig">Figure 8</a>.</p>
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<p>“Viadotto Gorsexio” with a central pillar taller than 172 m.</p>
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<p>Display of information related to EGMS and climate correlation values of the area in the WebGIS viewer.</p>
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<p>Time series plot of the corresponding correlation (<b>a</b>) and the same time series with normalized values (<b>b</b>).</p>
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19 pages, 2535 KiB  
Article
Elegante: A Machine Learning-Based Threads Configuration Tool for SpMV Computations on Shared Memory Architecture
by Muhammad Ahmad, Usman Sardar, Ildar Batyrshin, Muhammad Hasnain, Khan Sajid and Grigori Sidorov
Information 2024, 15(11), 685; https://doi.org/10.3390/info15110685 - 1 Nov 2024
Viewed by 969
Abstract
The sparse matrix–vector product (SpMV) is a fundamental computational kernel utilized in a diverse range of scientific and engineering applications. It is commonly used to solve linear and partial differential equations. The parallel computation of the SpMV product is a challenging task. Existing [...] Read more.
The sparse matrix–vector product (SpMV) is a fundamental computational kernel utilized in a diverse range of scientific and engineering applications. It is commonly used to solve linear and partial differential equations. The parallel computation of the SpMV product is a challenging task. Existing solutions often employ a fixed number of threads assignment to rows based on empirical formulas, leading to sub-optimal configurations and significant performance losses. Elegante, our proposed machine learning-powered tool, utilizes a data-driven approach to identify the optimal thread configuration for SpMV computations within a shared memory architecture. It accomplishes this by predicting the best thread configuration based on the unique sparsity pattern of each sparse matrix. Our approach involves training and testing using various base and ensemble machine learning algorithms such as decision tree, random forest, gradient boosting, logistic regression, and support vector machine. We rigorously experimented with a dataset of nearly 1000+ real-world matrices. These matrices originated from 46 distinct application domains, spanning fields like robotics, power networks, 2D/3D meshing, and computational fluid dynamics. Our proposed methodology achieved 62% of the highest achievable performance and is 7.33 times faster, demonstrating a significant disparity from the default OpenMP configuration policy and traditional practice methods of manually or randomly selecting the number of threads. This work is the first attempt where the structure of the matrix is used to predict the optimal thread configuration for the optimization of parallel SpMV computation in a shared memory environment. Full article
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<p>Sparse vs. dense matrix.</p>
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<p>Proposed methodology. Data preparation and training and testing phases.</p>
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<p>Training and testing phases.</p>
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<p>Execution time comparison as row-sorted data.</p>
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<p>Execution time comparison as nnz-sorted data.</p>
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<p>Speedup row-sorted data.</p>
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<p>Speedup NNZs-sorted data.</p>
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<p>Domain-wise execution time (Application Domains 1 to 24).</p>
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<p>Domain-wise execution time (Application Domains 25 to 46).</p>
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<p>Domain-wise speedup (Application Domains 1 to 24).</p>
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<p>Domain-wise speedup (Application Domains 25 to 46).</p>
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<p>Comparison of important features.</p>
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<p>Model evaluation with all features.</p>
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<p>Model evaluation with important features.</p>
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<p>Model evaluation with basic features.</p>
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<p>Execution time comparison of Elegante with default, minimum, maximum, and average.</p>
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<p>Performance difference among minimum, Elegante, and default.</p>
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<p>GMNP of proposed methodology.</p>
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18 pages, 3055 KiB  
Article
Efficiency of Optimized Approaches for Gravity Operator Modeling
by David Fuseau, Lucia Seoane, Guillaume Ramillien, José Darrozes, Bastien Plazolles, Didier Rouxel, Thierry Schmitt and Corinne Salaün
Remote Sens. 2024, 16(21), 4031; https://doi.org/10.3390/rs16214031 - 30 Oct 2024
Viewed by 704
Abstract
Numerical tesseroid and radial-type approaches are presented and compared in terms of their efficiency for deriving the regional geoid height, vertical gravity, and gradiometric anomalies from sea floor topography grids. The vertical gradient function is particularly suitable for representing shorter wavelengths of gravity, [...] Read more.
Numerical tesseroid and radial-type approaches are presented and compared in terms of their efficiency for deriving the regional geoid height, vertical gravity, and gradiometric anomalies from sea floor topography grids. The vertical gradient function is particularly suitable for representing shorter wavelengths of gravity, typically less than 10 km. These two modeling methods were applied to the Great Meteor guyot in the Atlantic Ocean using its bathymetry. To optimize the computation of high-resolution gravity anomalies, the Armadillo, GSL, and OpenMP libraries were used to provide an environment for fast vector implementation, numerical integration for tesseroid calculation, and parallelization for loop iterations, resulting in a computation speed increase. The tesseroid and radial methods remain equivalent up to a resolution of about 1 min, with the radial method being faster when dealing with a large number of model points for the geoid. Aside from optimization enabling high-resolution gravity simulations, these fast modeling data can be used as the main operators in gravimetric inversion or to reduce the terrain effects in gravity observations, revealing gravity and sedimentary layers. Full article
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<p>Bathymetry available in the region of the Great Meteor Seamount from the global GEBCO grid (left) and sparse depth ship tracks of GEBCO (altimetry data excluded), gmrt, MNT terrestrial Copernicus, and the SHOM free access database.</p>
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<p>Bathymetry available in the region of a segment of the Mid-Atlantic Ridge (54°W, 26°W, 20°N, 37°N) from the global GEBCO grid, including the Great Meteor Seamount area.</p>
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<p>Schematic view of the volume element <math display="inline"><semantics> <mrow> <mo>Δ</mo> <mo>Ω</mo> </mrow> </semantics></math> to be integrated for computing gravity operators, and notations used in the study. P is the observation point and M is the material mass element.</p>
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<p>Schematic view of the spherical cap. At <math display="inline"><semantics> <mrow> <mi>ψ</mi> <mo>=</mo> <msup> <mn>0</mn> <mo>∘</mo> </msup> </mrow> </semantics></math>, the integral over the entire spherical cap is calculated. At <math display="inline"><semantics> <mrow> <mi>ψ</mi> <mo>≠</mo> <msup> <mn>0</mn> <mo>∘</mo> </msup> </mrow> </semantics></math>, the integral over the orange area is added, and the integral over the blue area is subtracted. At the end, we recover the total integral over the topography and reduce the error on the radial approximation by performing an exact integral on the plateau and completing with the radial approximation, only locally considering the difference with the topography.</p>
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<p>Speed up for the Great Meteor grid at a resolution of 1′ (∼1.8 km) with respect to the number of cores using OpenMP 4.5 parallelization.</p>
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<p><math display="inline"><semantics> <msup> <mn>5</mn> <mo>∘</mo> </msup> </semantics></math> by <math display="inline"><semantics> <msup> <mn>5</mn> <mo>∘</mo> </msup> </semantics></math> cell (blue square) with the effective calculated <math display="inline"><semantics> <msup> <mn>1</mn> <mo>∘</mo> </msup> </semantics></math> by <math display="inline"><semantics> <msup> <mn>1</mn> <mo>∘</mo> </msup> </semantics></math> cell in orange and the overlap cells in blue <math display="inline"><semantics> <msup> <mn>2</mn> <mo>∘</mo> </msup> </semantics></math> around the calculated cell. The next adjacent cells are shown by the <math display="inline"><semantics> <msup> <mn>5</mn> <mo>∘</mo> </msup> </semantics></math> by <math display="inline"><semantics> <msup> <mn>5</mn> <mo>∘</mo> </msup> </semantics></math> white square delimited by black lines. Only the <math display="inline"><semantics> <msup> <mn>1</mn> <mo>∘</mo> </msup> </semantics></math> by <math display="inline"><semantics> <msup> <mn>5</mn> <mo>∘</mo> </msup> </semantics></math> beside the cell of interest is visible in white.</p>
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<p>Modeled gravity operators’ RMS values between our tesseroid and radial-based estimations for (<b>top</b>) geoid, (<b>middle</b>) FAA, and (<b>bottom</b>) VGG for standard radial approximation (black) and radial approximation + spherical cap (blue). Threshold resolution is indicated with a vertical line. The dotted lines indicate a linear extrapolation at higher resolutions.</p>
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<p>Modeled gravity operators and differences between our tesseroid and radial-based estimations for geoid (<b>left</b>), FAA (<b>center</b>), and VGG (<b>right</b>) at 1′ resolution.</p>
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<p>Spectrum analysis of the three gravity functionals in the specific Great Meteor region; long-wavelength content is described by the geoid height (blue), while vertical gradient (green) is well-adapted to sense short wavelengths of the seafloor topography.</p>
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<p>Comparison of our estimates with independent gravity datasets over the Great Meteor Seamount for each gravity operator.</p>
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<p>Comparison of our estimates with independent gravity datasets. RMS = 2.125 m, 28.71 mGal, and 6.971 Eötvös and the difference (or Bouguer reduction) between the two regional grids over the Great Meteor Seamount for each gravity operator. Both data and simulation are filtered below 10 km to ensure that the spectral content is the same at short wavelengths.</p>
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<p>Comparison of our FAA estimates with independent gravity datasets on a larger area, around a segment of the Mid-Atlantic Ridge (54°W, 26°W, 20°N, 37°N). The <b>top</b> figure shows the FAA derived from the bathymetry using the radial approximation with the spherical cap. The <b>bottom</b> figure displays the gravity data derived from satellite altimetry from [<a href="#B5-remotesensing-16-04031" class="html-bibr">5</a>].</p>
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<p>Comparison of our FAA estimates with independent gravity datasets on a larger area, around a segment of the Mid-Atlantic Ridge (54°W, 26°W, 20°N, 37°N). The Bouguer anomalies range in amplitude from −98 to 186 mGal, with a mean value of 0.2 mGal and a Root Mean Square (RMS) of 52 mGal.</p>
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24 pages, 830 KiB  
Article
On a Simplified Approach to Achieve Parallel Performance and Portability Across CPU and GPU Architectures
by Nathaniel Morgan, Caleb Yenusah, Adrian Diaz, Daniel Dunning, Jacob Moore, Erin Heilman, Calvin Roth, Evan Lieberman, Steven Walton, Sarah Brown, Daniel Holladay, Marko Knezevic, Gavin Whetstone, Zachary Baker and Robert Robey
Information 2024, 15(11), 673; https://doi.org/10.3390/info15110673 - 28 Oct 2024
Cited by 1 | Viewed by 2397
Abstract
This paper presents software advances to easily exploit computer architectures consisting of a multi-core CPU and CPU+GPU to accelerate diverse types of high-performance computing (HPC) applications using a single code implementation. The paper describes and demonstrates the performance of the open-source C++ mat [...] Read more.
This paper presents software advances to easily exploit computer architectures consisting of a multi-core CPU and CPU+GPU to accelerate diverse types of high-performance computing (HPC) applications using a single code implementation. The paper describes and demonstrates the performance of the open-source C++ matrix and array (MATAR) library that uniquely offers: (1) a straightforward syntax for programming productivity, (2) usable data structures for data-oriented programming (DOP) for performance, and (3) a simple interface to the open-source C++ Kokkos library for portability and memory management across CPUs and GPUs. The portability across architectures with a single code implementation is achieved by automatically switching between diverse fine-grained parallelism backends (e.g., CUDA, HIP, OpenMP, pthreads, etc.) at compile time. The MATAR library solves many longstanding challenges associated with easily writing software that can run in parallel on any computer architecture. This work benefits projects seeking to write new C++ codes while also addressing the challenges of quickly making existing Fortran codes performant and portable over modern computer architectures with minimal syntactical changes from Fortran to C++. We demonstrate the feasibility of readily writing new C++ codes and modernizing existing codes with MATAR to be performant, parallel, and portable across diverse computer architectures. Full article
(This article belongs to the Special Issue Advances in High Performance Computing and Scalable Software)
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Figure 1

Figure 1
<p>The C++ MATAR library builds on the Kokkos library to enable diverse software to run on multi-core CPUs and GPUs with a single implementation and enables a common approach to modernize existing Fortran software and to write new C++ software.</p>
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<p>A range of dense (<b>left</b> chart) and sparse (<b>right</b> chart) data types in MATAR are shown above that are designed for performance portability across CPUs and GPUs. Additional data types are provided in MATAR than shown above here; for instance, there are data types that solely run on CPUs and dynamically resizable 1D array and 1D matrix types.</p>
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<p>On the left, a ring lattice with seven nodes is shown where each node is connected to its nearest one neighbor. On the right we replace three edges with random edges. In particular, we replaced (1,2) with (1,5), (2,3) with (2,6), and (7,1) with (7,5). This is a simple demonstration of the Watts–Strogatz random graph process.</p>
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<p>Comparison of runtimes, as a function of the nodes in the WS graph, on diverse GPUs and on an AMD EPYC 7502 multi-core CPU. A serial calculation (blue) is presented for comparison purposes. All GPUs deliver favorable acceleration of this test case over using 16 cores on the CPU.</p>
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<p>The strong scaling on the WS graph with 4000 nodes is shown. This scaling test was run at powers of 2<span class="html-italic"><sup>n</sup></span> for the number of cores from 1 to 32. Displayed is the log–log plot of number of cores versus runtime. Near perfect scaling is observed.</p>
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<p>A comparison between the Python networkx package and the C++ implementation with MATAR is shown for the average distance between nodes as a function of the rewire probability. The same trend is observed between the Python and C++ implementations, which is a desired outcome. Both codes yielded the expected, correct behavior for this network test case. An exact match between the two implementations is not expected since the results are probabilistic.</p>
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<p>Compared to the serial Python code, the MATAR implementation is serially 60× faster, is about 700× faster using 16 threads on an AMD EPYC 7502 multi-core CPU, is about 2050× faster on a Titan GPU, and is 2460× faster on a V100 GPU. The WS graph speed-up results reported here correspond to a simulation using 4000 nodes.</p>
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<p>Speed-up compared to serial of the forward propagation through an artificial neural network using 8 cores and 16 cores on a Haswell CPU with openMP, a Nvidia Tesla V100 GPU, a Nvidia A100 GPU, and an AMD MI50 GPU. The GPU architectures deliver favorable accelerations with widely varying sizes of the vector-array multiplications.</p>
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<p>Diagram of the mid-ocean ridge showing oceanic lithosphere increasing in thickness as it increases in distance from the ridge. Gray is the oceanic lithosphere, and red is the asthenosphere (mantle).</p>
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<p>Scaling plot for the half-space cooling test problem showing walltime in seconds for serial, 8 cores, and 16 cores on a Haswell CPU; and for Nvidia Tesla V100 GPU, Nvidia A100 GPU, Quadro RTX GPU, and AMD MI50 GPU architectures with increasing problem size (e.g., billions of years). GPU architectures significantly accelerate the calculation compared to the Haswell CPU.</p>
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<p>Speed-up with mesh refinement provided by MATAR with CUDA over the serial Python code using an V100 GPU is shown. 253X, 69X, and 1756X accelerations are observed.</p>
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