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A hybrid modelling approach coupling physics-based simulation and deep learning for battery electrode manufacturing simulations

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ENERGY STORAGE MATERIALS 2025年 75卷

作者： Vijay, Utkarsh Galvez-Aranda, Diego E. Zanotto, Franco M. Le-Dinh, Tan Alabdali, Mohammed Asch, Mark Franco, Alejandro A. Univ Picardie Jules Verne Lab React & Chim Solides LRCS Hub Energie UMR CNRS 7314 15 Rue Baudelocque F-80039 Amiens France CNRS ALISTORE European Res Inst FR 3104 Hub Energie 15 Rue Baudelocque F-80039 Amiens France CNRS FR 3459 Reseau Stockage Electrochim lEnergie RS2E Hub Energie 15 Rue Baudelocque F-80039 Amiens France Univ Picardie Jules Verne LAMFA CNRS UMR 7352 33 Rue St Leu F-80039 Amiens France Inst Univ France 103 Blvd St Michel F-75005 Paris France

Lithium-ion battery (LIB) performance is significantly influenced by its manufacturing process. Manufacturing of an optimized electrode can incur high production costs such as high energy consumption, high scrap rates and emissions. This is due to the process that consists of a series of manufacturing steps presenting a complex interrelationship, thus limiting the understanding of performance as a function of manufacturing parameters. While several empirical and computational methods are employed for optimization, they are demanding in terms of resources such as materials or computational effort. By leveraging Deep Learning (DL), we can enhance our understanding of the complex manufacturing processes and accelerate its optimization. We propose a data-driven supervised DL methodology to complement physics-based LIB cathode manufacturing simulations. The trained DL-based predictive model integrates well into a manufacturing simulation framework to forecast cathode slurry microstructures. The DL model demonstrates robust predictive performance for LIB NMC-111 and LiFePO4-based slurries and slurries for a solid-state battery NMC-622/argyrodite composite electrode preparation. While the current work is focused on the electrode slurry preparation process, the proposed methodology has potential for application to drying and calendering steps. This approach will be helpful in streamlining lab-scale electrode manufacturing, and reducing errors, waste and resource consumption.

关键词： Li-ion batteries Electrode manufacturing process Electrode microstructure physics-based simulation physics-informed deep learning

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physics-based simulation study of high-performance gallium arsenide phosphide-indium gallium arsenide tunnel field-effect transistor

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MICRO & NANO LETTERS 2016年第7期11卷 366-368页

作者： Raad, Bhagwan Ram Sharma, Dheeraj Nigam, Kaushal Kondekar, Pravin Indian Inst Informat Technol Design & Mfg Nanoscale Lab Elect & Commun Engn Discipline Jabalpur India

For the first time, this work presents a novel combination of gallium arsenide phosphide (GaAsP) and indium gallium arsenide (InGaAs) as drain/channel and source materials, respectively, of tunnel field-effect transistor (TFET) for high-performance ultra-low-power applications. With this combination, the ON-state current of the proposed device is improved ten times as compared with GaAs-Ge TFET;however, the ambipolar current remains equal to the OFF-state current. It also exhibits a very low threshold voltage (half in amount) as compared with GaAs-Ge TFET. Apart from these, GaAsP-InGaAs TFET shows huge reduction in the subthreshold slope for better switching operation.

关键词： gallium arsenide indium compounds III-V semiconductors tunnel transistors field effect transistors semiconductor device models physics-based simulation high-performance gallium arsenide phosphide-indium gallium arsenide tunnel field-effect transistor drain-channel material source material high-performance ultralow-power applications ON-state current ambipolar current OFF-state current threshold voltage subthreshold slope switching operation GaAsP-InGaAs

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Comprehensive analysis of GR noise in InGaP-GaAs HBT by physics-based simulation and low frequency characterization

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JOURNAL OF COMPUTATIONAL ELECTRONICS 2015年第1期14卷 4-14页

作者： Nallatamby, Jean-Christophe Laurent, Sylvain Prigent, Michel Jacquet, Jean-Claude Floriot, Didier Delage, Sylvain Univ Limoges UMR CNRS XLIM Lab F-1900 Brive France III V Lab F-91460 Marcoussis France UMS Parc SILIC Villebon Courtaboeuf F-91140 Villebon Sur Yvette France

The presence of noise in semi-conductor devices is a major drawback for good quality telecommunications or radar links. It plays an important role on the deterioration of spectral purity in frequency sources and in mixer circuits used in emission and reception in these systems. Thus, the circuit designers must take it into account in their designs by using accurate noise models of transistors. However, these models will be reliable only if the origin of the noise is well-known. The only solution to solve this problem is to have a physics-based simulator including noise simulation, whose results can be compared with noise measurements of the simulated device. This paper presents such a tool, based on a first deterministic simulation with the commercial Technology Computer Aided Design (TCAD) SENTAURUS from SYNOPSYS and whose results are transferred to a home-made tool based on the free SCILAB platform. Thus, this package enables us to simulate the generation-recombination (GR) noise due to traps generated in the device, in this case an InGaP-GaAs heterojunction bipolar transistor (HBT) from UMS foundry. The setup for low frequency (LF) noise characterization available in the lab, allowed us to compare the HBT equivalent current noise sources measured and those simulated with good agreement. This full LF noise comparison of InGaP-GaAs HBT behaviour is the first published to our knowledge and these results confirm a posteriori the pertinency of the LF noise model we developed a few years ago.

关键词： Trap-assisted GR noise physics-based simulation LF noise characterization InGaP-GaAs HBT

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Data-driven prediction of keyhole features in metal additive manufacturing based on physics-based simulation

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JOURNAL OF INTELLIGENT MANUFACTURING 2024年第5期35卷 2313-2326页

作者： Xie, Ziyuan Chen, Fan Wang, Lu Ge, Wenjun Yan, Wentao Natl Univ Singapore Dept Mech Engn Singapore 117575 Singapore

The defect formation is closely related to molten pool and keyhole features in metal additive manufacturing. Experimentation and physics-based simulation methods to capture the molten pool and keyhole features are expensive and time-consuming. A data-driven method is proposed in this work to efficiently predict the molten pool and keyhole features characterized by a series of fitting curves under given manufacturing parameters, instead of simply predicting the molten pool and keyhole sizes. The database consists of simulation cases with the high-fidelity thermal-fluid flow model. Molten pool melting regime, keyhole stability and keyhole type are recognized with the neural net pattern recognition. With the Gaussian process regression model, the keyhole dimensions are predicted and the keyhole contour is reconstructed. The comparison between predicted data and physics-based simulation results demonstrates the feasibility and accuracy of our data-driven model. Meanwhile, the predicted results can guide the selection of manufacturing parameters in actual production, and are also helpful to the further study of pores in additive manufacturing in academic research.

关键词： Additive manufacturing Data-driven modelling physics-based simulation Melting regime Keyhole stability Keyhole contour

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Automatic Quantization for physics-based simulation

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ACM TRANSACTIONS ON GRAPHICS 2022年第4期41卷 1-16页

作者： Liu, Jiafeng Shi, Haoyang Zhang, Siyuan Yang, Yin Ma, Chongyang Xu, Weiwei Zhejiang Univ State Key Lab CAD & CG Hangzhou Peoples R China Clemson Univ Clemson SC 29631 USA Univ Utah Salt Lake City UT 84112 USA Kuaishou Technol Beijing Peoples R China

Quantization has proven effective in high-resolution and large-scale simulations, which benefit from bit-level memory saving. However, identifying a quantization scheme that meets the requirement of both precision and memory efficiency requires trial and error. In this paper, we propose a novel framework to allow users to obtain a quantization scheme by simply specifying either an error bound or a memory compression rate. based on the error propagation theory, our method takes advantage of auto-diff to estimate the contributions of each quantization operation to the total error. We formulate the task as a constrained optimization problem, which can be efficiently solved with analytical formulas derived for the linearized objective function. Our workflow extends the Taichi compiler and introduces dithering to improve the precision of quantized simulations. We demonstrate the generality and efficiency of our method via several challenging examples of physics-based simulation, which achieves up to 2.5x memory compression without noticeable degradation of visual quality in the results. Our code and data are available at https://***/Hanke98/AutoQuantizer.

关键词： physics-based simulation Quantized computation GPU programming

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A physics-based simulation approach for cooperative erection activities

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AUTOMATION IN CONSTRUCTION 2010年第6期19卷 750-761页

作者： Chi, Hung-Lin Kang, Shih-Chung Natl Taiwan Univ Dept Civil Engn Taipei City 10617 Taiwan

Cooperative erection activities are critical to projects which involve the erection of heavy loads or the installation of special equipment. Detailed simulation on computer prior to construction can identify constructability problems, and subsequently avoided during actual erections. This paper describes an integrated approach for simulating the detailed motions of cranes. This research develops a physics-based model that follows the principle of closed-form forward kinematics and constraint-based dynamics to present the dual-crane mechanism mathematically a non-trivial task. This model can be used to analyze the inputs from the users (i.e. virtual crane operators) and simultaneously compute the cables sway and reaction of collisions. We also implemented the model on computer and developed a simulation system, Erection Director, to render realistic cooperative erection activities. A demonstration of simulating two-crane lift has been built and three performance tests including a small building (840 elements), a medium building (1937 elements) and a large building (2682 elements) validate the feasibility of the proposed approach. The test results indicate that Erection Director can support real-time and physics-based visualization of cooperative erections. (C) 2010 Elsevier B.V. All rights reserved.

关键词： Cooperative erection activities Rigid body dynamics Forward kinematics Construction crane physics-based simulation Erection planning Virtual reality Robotics

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A survey of CAD model simplification techniques for physics-based simulation applications

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COMPUTER-AIDED DESIGN 2009年第2期41卷 65-80页

作者： Thakur, Atul Banerjee, Ashis Gopal Gupta, Satyandra K. Univ Maryland Dept Mech Engn College Pk MD 20742 USA Univ Maryland Syst Res Inst College Pk MD 20742 USA

Automated CAD model simplification plays an important role in effectively utilizing physics-based simulation during the product realization process. Currently a rich body of literature exists that describe many successful techniques for fully-automatic or semi-automatic simplification of CAD models for a wide variety of applications. The purpose of this paper is to compile a list of the techniques that are relevant for physics-based simulations problems and to characterize them based on their attributes. We have classified them into the following four categories: techniques based on surface entity based operators, volume entity based operators, explicit feature based operators, and dimension reduction operators. This paper also presents the necessary background information in the CAD model representation to assist the new readers. We conclude the paper by outlining open research directions in this field. (C) 2009 Elsevier Ltd. All rights reserved.

关键词： CAD model simplification physics-based simulation

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Advanced virtual prototyping of robotic cells using physics-based simulation

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INTERNATIONAL JOURNAL OF INTERACTIVE DESIGN AND MANUFACTURING - IJIDEM 2023年第2期18卷 981-996页

作者： Raffaeli, Roberto Neri, Federico Peruzzini, Margherita Berselli, Giovanni Pellicciari, Marcello Univ Modena & Reggio Emilia Dept Sci & Methods Engn I-42122 Reggio Emilia Italy Univ Modena & Reggio Emilia InterMech MO RE I-41125 Modena Italy Univ Modena & Reggio Emilia Dept Engn Enzo Ferrari I-41125 Modena Italy Univ Genoa Dept Mech Energy Management & Transportat Engn I-16145 Genoa Italy

Robotic cells are complex mechatronic systems whose final performance is determined by the interaction of the control logics with the mechanical behavior of the process. In this context it is fundamental to develop engineering methods and tools for the virtual prototyping of the cells that emulate both contributions. With such mechatronic digital models, it would be possible to replicate the real behavior of the systems and to optimize the cell productivity, up to building complete digital twins. This paper proposes an engineering method to develop realistic Virtual Prototypes of robotic cells including their geometry, operating logic, performance, and physical behavior. A case study on a robotic cell composed of two anthropomorphic robots for the flexible process of automatic assembly of industrial parts is presented to demonstrate the approach.

关键词： Digital twin physics-based simulation Robotic assembly Virtual prototyping

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Simbios: an NIH national center for physics-based simulation of biological structures

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JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION 2012年第2期19卷 186-189页

作者： Delp, Scott L. Ku, Joy P. Pande, Vijay S. Sherman, Michael A. Altman, Russ B. Stanford Univ Dept Bioengn Stanford CA 94305 USA Stanford Univ Dept Mech Engn Stanford CA 94305 USA Stanford Univ Dept Orthopaed Surg Stanford CA 94305 USA Stanford Univ Dept Chem Stanford CA 94305 USA Stanford Univ Dept Genet Stanford CA 94305 USA Stanford Univ Dept Med Stanford CA 94305 USA

physics-based simulation provides a powerful framework for understanding biological form and function. simulations can be used by biologists to study macromolecular assemblies and by clinicians to design treatments for diseases. simulations help biomedical researchers understand the physical constraints on biological systems as they engineer novel drugs, synthetic tissues, medical devices, and surgical interventions. Although individual biomedical investigators make outstanding contributions to physics-based simulation, the field has been fragmented. Applications are typically limited to a single physical scale, and individual investigators usually must create their own software. These conditions created a major barrier to advancing simulation capabilities. In 2004, we established a National Center for physics-based simulation of Biological Structures (Simbios) to help integrate the field and accelerate biomedical research. In 6 years, Simbios has become a vibrant national center, with collaborators in 16 states and eight countries. Simbios focuses on problems at both the molecular scale and the organismal level, with a long-term goal of uniting these in accurate multiscale simulations.

关键词： simulation dynamics biomedical computation physics-based neuromuscular biomechanics molecular dynamics multibody dynamics domain-specific languages DSLs neuroprosthetic dynamics drug target dynamics physics-based simulation

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physics-based simulation of Soft-Body Deformation Using RGB-D Data

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SENSORS 2022年第19期22卷 7225页

作者： Kang, Daeun Moon, Jaeseok Yang, Saeyoung Kwon, Taesoo Kim, Yejin Hanyang Univ Dept Comp Sci Seoul 04763 South Korea Hongik Univ Sch Games Sejong 30016 South Korea

Providing real-time interaction in an immersive environment has drawn considerable attention in the virtual training fields. physics-based simulations are suitable for such environments;however, they require the definition and adjustment of coefficients that determine material properties, making the methods more complex and time-consuming. In this paper, we introduce a novel approach to simulating the soft-body deformation of an observed object. Using an off-the-shelf RGB-D sensor, the proposed approach tracks an object's movement and simulates its deformation in an iterative manner. Polygonal models with different resolutions are used to improve the simulation speed and visual quality. During the simulation process, a low-resolution model is used for surface deformation using neighboring feature points detected from the sensor, and a volumetric model is added for internal force estimation. To visualize the observed model in detail, the deformed and low-resolution model is mapped to a high-resolution model using mean value coordinate interpolation. To handle topological deformations, such as cutting or tearing, a part intersected by a cutting tool is recognized by the sensor and responds to external forces. As shown in the experimental results, our approach generates convincing deformations of observed objects in real time.

关键词： physics-based simulation soft-body deformation RGB-D data topological editing object tracking

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