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Effects of calendering state on coupled electrochemical-mechanical performance of silicon based composite electrodes

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Green Energy and Intelligent Transportation 2024年第5期3卷 34-41页

作者： Dawei Li Hongfei Wan Jiahui Liu Hainan Jiang Yikai Wang Junqian Zhang Yuejiu Zheng School of Mechanical Engineering University of Shanghai for Science and TechnologyShanghai 200093China Department of Engineering Physics Tsinghua UniversityBeijing100084China Department of Chemical and Materials Engineering University of KentuckyLexingtonKY 40506USA Shanghai Institute of Applied Mathematics and Mechanics School of Mechanics and Engineering ScienceShanghai UniversityShanghai 200444China

The super volume changes and severe mechanical degradation have been a hindrance in the wide application of silicon based composite electrodes in commercial lithium-ion batteries(LIBs).Calendering,one procedure in producing LIBs'electrodes,is indispensable to ensure low porosity and energy ***,the repercussions of the calendering process on the physical characteristics related to the behavior of silicon(Si)based electrodes during the electrochemical reaction have not been well ***,on account of the deformation characteristic of cantilever electrodes,an in-situ technique is employed to analyze the repercussions of calendering status on the coupled electro-chemo-mechanical *** the electrochemical cycling,Young's modulus and diffusion-induced stress in composite electrodes are *** results show that the swelling strain,the stress and the modulus of the Si-based electrode and the calendering degree are positively ***,the stress induced by diffusion in the active layer tends to increase in the stage of lithiation and reverses during the delithiation *** with the SEM analysis,we conclude that the calendering process can induce larger stress,driving the formation of cracks in *** findings can help understand how the calendering process could affect the capacity dissipating and lifetime of Si based electrodes.

关键词： Calendering degree In situ measurement Coupled electro-mechan-chemical properties Si composite electrode Stress evolution

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Trustworthy Actionable Perturbations 41

Trustworthy Actionable Perturbations

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41st International Conference on Machine Learning, ICML 2024

作者： Friedbaum, Jesse Adiga, Sudarshan Tandon, Ravi Program in Applied Mathematics University of Arizona TucsonAZ United States Department of Electrical and Computer Engineering University of Arizona TucsonAZ United States

Counterfactuals, or modified inputs that lead to a different outcome, are an important tool for understanding the logic used by machine learning classifiers and how to change an undesirable classification. Even if a counterfactual changes a classifier's decision, however, it may not affect the true underlying class probabilities, i.e. the counterfactual may act like an adversarial attack and "fool" the classifier. We propose a new framework for creating modified inputs that change the true underlying probabilities in a beneficial way which we call Trustworthy Actionable Perturbations (TAP). This includes a novel verification procedure to ensure that TAP change the true class probabilities instead of acting adversarially. Our framework also includes new cost, reward, and goal definitions that are better suited to effectuating change in the real world. We present PAC-learnability results for our verification procedure and theoretically analyze our new method for measuring reward. We also develop a methodology for creating TAP and compare our results to those achieved by previous counterfactual methods. Copyright 2024 by the author(s)

关键词： Adversarial machine learning

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Bending the Rule: Naphthobisthiadiazole-Based Terpolymers with Both High Solubility and Crystallinity for Organic Photovoltaics

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ACS applied Polymer Materials 2024年第5期6卷 2586-2593页

作者： Chou, Li-Hui Chen, Fengkun Nakano, Kyohei Yamanaka, Kodai Mikie, Tsubasa Saito, Masahiko Liu, Cheng-Liang Tajima, Keisuke Osaka, Itaru Department of Applied Chemistry Graduate School of Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8527 Japan Department of Chemical and Materials Engineering National Central University Taoyuan32001 Taiwan Saitama Wako351-0198 Japan Applied Chemistry Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8527 Japan Department of Materials Science and Engineering National Taiwan University Taipei10617 Taiwan

Achieving a good balance between the crystallinity and solubility is of great importance in the design of π-conjugated polymers. Here, we synthesized a series of terpolymers in which small fractions of a planar V-shaped fused ring, triphenyleno[1,2-c:7,8-c′]bis([1,2,5]thiadiazole) (TPTz), are incorporated into the linear-shaped backbone of a highly crystalline polymer based on naphtho[1,2-c:5,6-c′]bis([1,2,5]thiadiazole) (NTz), PNTz4T. Due to the "bending" structure induced by the TPTz unit, the terpolymers had greatly improved solubility by about 5-9 times compared to the linear-shaped PNTz4T. In particular, the terpolymers preserved the crystallinity of PNTz4T to a considerable extent with a higher fraction of face-on oriented domains in films. As a result, the highly solution-processable terpolymers exhibited high photovoltaic performances and slightly outperformed PNTz4T. Our results indicate that the incorporation of a V-shaped unit into a linearly shaped polymer is a good strategy to develop π-conjugated polymers with high solubility and crystallinity. © 2024 American chemical Society.

关键词： Solubility

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Our Role in Solving Global Challenges: An Opinion

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JOURNAL OF THE AMERICAN chemical SOCIETY 2024年第31期146卷 21193-21195页

作者： Carter, Emily A. Department of Mechanical and Aerospace Engineering Program in Applied and Computational Mathematics and the Andlinger Center for Energy and the Environment Princeton University Princeton New Jersey 08544-5263 United States Princeton Plasma Physics Laboratory Princeton New Jersey 08540-6655 United States

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Effect of rotation on the onset of convection in magnetic nanofluids containing gyrotactic microorganisms 5

Effect of rotation on the onset of convection in magnetic na...

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5th National Conference on Recent Advancement in Physical Sciences, NCRAPS 2023

作者： Arora, Monika Danesh, Mustafa Kumar Sharma, Mahesh Department of Mathematics School of Chemical Engineering and Physical Sciences Lovely Professional University Punjab Phagwara144411 India Department of Mathematics Kabul Education University Kabul Afghanistan Department of Mathematics School of Basic and Applied Sciences Maharaja Agrasen University HP Baddi India

The focus of this work is on employing linear stability analysis to investigate the initiation of the bioconvection (Bconvec) phenomenon in the presence of rotational influence. In this study, we examine a water based magnetic nanofluids (Wb-MgNf) that contains gyrotactic microorganisms, taking into account the influence of gravity. The motion of the microorganisms is considered to be motile and of small size, rendering the inertial effects negligible. The employed model incorporates the combined impact of two slip mechanisms, namely Brownian motion and thermophoresis, as suggested by J. Buongiorno in his article"Convective transport in nanofluids" in addition to magnetophoresis. To solve the resulting eigenvalue problem, a numerical method utilizing MATLAB’s EIG function is utilized. The critical Rayleigh number Rac is determined through neutral stability curves (NsCurves) to analyze the system, considering the governing parameters. The Taylor number Ta is employed to investigate the influence of rotation, revealing that it stabilizes the system. The onset of convection is advanced by the parameters nanoparticle concentration Rayleigh number Rn and bioconvection Lewis number Lb. © 2024 Published under licence by IOP Publishing Ltd.

关键词： Eigenvalues and eigenfunctions

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Semi-analytical finite element method applied for characterizing micropolar fibrous composites

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applied mathematics and Mechanics(English Edition) 2024年第12期45卷 2147-2164页

作者： J.A.OTERO Y.ESPINOSA-ALMEYDA R.RODRIGUEZ-RAMOS J.MERODIO School of Engineering and Sciences Monterrey Institute of TechnologyEstado de Mexico 52926Mexico Institute of Engineering and Technology Autonomous University of Ciudad JuarezCiudad JuarezChihuahua 32310Mexico Postgraduate Program in Computational Modeling in Science and Technology Federal Fluminense UniversityRıo de Janeiro 27255-125Brazil Faculty of Mathematics and Computer Science University of HavanaLa Habana 10400Cuba Department of Mathematics Applied to ICT School of Informatics Systems EngineeringTechnical University of MadridMadrid 28031Spain

A semi-analytical finite element method(SAFEM),based on the two-scale asymptotic homogenization method(AHM)and the finite element method(FEM),is implemented to obtain the effective properties of two-phase fiber-reinforced composites(FRCs).The fibers are periodically distributed and unidirectionally aligned in a homogeneous *** framework addresses the static linear elastic micropolar problem through partial differential equations,subject to boundary conditions and perfect interface contact *** mathematical formulation of the local problems and the effective coefficients are presented by the *** local problems obtained from the AHM are solved by the FEM,which is denoted as the *** numerical results are provided,and the accuracy of the solutions is analyzed,indicating that the formulas and results obtained with the SAFEM may serve as the reference points for validating the outcomes of experimental and numerical computations.

关键词： semi-analytical approach fiber-reinforced composite(FRC) effective property finite element method(FEM) asymptotic homogenization method(AHM) micropolar elasticity

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Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMn_(y)Fe_(1-y)PO_(4)

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npj Computational Materials 2023年第1期9卷 792-802页

作者： Pierfrancesco Ombrini Martin Z.Bazant Marnix Wagemaker Alexandros Vasileiadis Storage of Electrochemical Energy Department of Radiation Science and TechnologyFaculty of Applied SciencesDelft University of TechnologyMekelweg 152929JB DelftThe Netherlands Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA 02139USA Department of Mathematics Massachusetts Institute of TechnologyCambridgeMA 02139USA

Phase separation during the lithiation of redox-active materials is a critical factor affecting battery performance,including energy density,charging rates,and cycle *** physical descriptions of these materials are necessary for understanding underlying lithiation mechanisms,performance limitations,and optimizing energy storage *** work presents an extended regular solution model that captures mutual interactions between sublattices of multi-sublattice battery materials,typically synthesized by metal *** apply the model to phospho-olivine materials and demonstrate its quantitative accuracy in predicting the composition-dependent redox shift of the plateaus of LiMn_(y)Fe_(1-y)PO_(4)(LFMP),LiCo_(y)Fe_(1-y)PO_(4)(LFCP),LiCo_(x)Mn_(y)Fe_(1-y)PO_(4)(LFMCP),as well as their phase separation ***,we develop a phase-field model of LFMP that consistently matches experimental data and identifies LiMn0.4Fe0.6PO4 as a superior composition that favors a solid solution phase transition,making it ideal for high-power applications.

关键词： battery phase separation

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Reëntanglement Dynamics in Polymer Melts Can Be Explained by Fast Dangling End Retraction without Resorting to Nonuniversality

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ACS Macro Letters 2025年第3期14卷 385-390页

作者： Córdoba, Andrés Becerra, Diego Schieber, Jay D. Área de Ciencias Fundamentales Escuela de Ciencias Aplicadas e Ingeniería Universidad EAFIT Medellín050022 Colombia Department of Chemical Engineering Universidad de Concepción Concepción4030000 Chile Department of Chemical and Biological Engineering Department of Physics Department of Applied Mathematics Center for Molecular Study of Condensed Soft Matter Illinois Institute of Technology 3440 South Dearborn Street ChicagoIL60616 United States Pritzker School of Molecular Engineering University of Chicago ChicagoIL60637 United States

Recent molecular dynamics simulations of entangled polymer melts suggest that chains reëntangle on the (Rouse) time scale of chain retraction, rather than on the longest, disengagement relaxation time, upon cessation of flow [O’Connor et al. Macromolecules 2019, 52, 8540−8550 ]. Inspired by these results, it has been suggested by using a tube model that reëntanglement kinetics are chemistry specific [Dolata et al. ACS Macro Lett. 2024, 13, 896−902 ]. Here we argue that their conclusions arise from interpreting simulations with a model that does not have a sufficiently detailed level of description. We employ the discrete-slip-link model, which is more detailed and so contains important fluctuations. We show that this universal level of description can describe the results without resorting to chemistry specificity. Our results suggest that a significant amount of reëntanglement happens on the Rouse time, which obscures the fact that it finishes only on the disengagement time, resolving the apparent paradox. © 2025 American chemical Society.

关键词： Molecular dynamics

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Initial Exploration and Understanding of Parameters for Successful Enterprise Architecture Implementation 11

Initial Exploration and Understanding of Parameters for Succ...

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11th International Conference on ICT for Smart Society, ICISS 2024

作者： Khairina, Dyna Marisa Purwanto, Purwanto Nugraheni, Dinar Mutiara Kusumo School of Postgraduate Studies Universitas Diponegoro Program in Information Systems Semarang Indonesia Universitas Diponegoro Faculty of Engineering Department of Chemical Engineering Semarang Indonesia Universitas Diponegoro Faculty of Science and Mathematics Department of Informatics Semarang Indonesia

ISBN: (纸本)9798350389654

This study provides an initial exploration and further understanding of the factors that are parameters in evaluating the success of Enterprise Architecture (EA) implementation. An evaluation process is needed to ensure that the EA project implementation provides effectiveness, efficiency, and feasibility of the EA information system as well as assessing previous project experience to avoid future EA project risks. The research aims to present a Systematic Literature Review based on the stages of identification, screening, eligibility, and inclusion so that 14 main articles are selected for review with strong actual relevance. The study results provide insights and references that can be used to further explore key factors in evaluating the success of EA implementation in the future. It was found that there were ten factors that most influenced the evaluation of the success of EA implementation and it was concluded that two potential factors were the most influential and required further exploration in evaluating the success of EA implementation which could be applied in various sectors/dimensions. This study contributes as an initial reference for overcoming problems in investigating and exploring the factors that influence the success of EA implementation as an effort to assess the success of achieving future organizational goals. © 2024 IEEE.

关键词： Enterprise Architecture Parameters Success Factors Systematic Literature Review

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An Iterative Thresholding Method for the Minimum Compliance Problem

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Communications in Computational Physics 2023年第4期33卷 1189-1216页

作者： Luyu Cen Wei Hu Dong Wang Xiaoping Wang Department of Mathematics Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina The Program in Applied and Computational Mathematics Princeton UniversityPrincetonNew JerseyUSA School of Science and Engineering The Chinese University of Hong KongShenzhenGuangdong 518172China Shenzhen International Center for Industrial and Applied Mathematics Shenzhen Research Institute of Big DataGuangdong 518172China

In this paper,we propose a simple energy decaying iterative thresholding algorithm to solve the two-phase minimum compliance *** material domain is implicitly represented by its characteristic function,and the problem is formulated into a minimization problem by the principle of minimum complementary *** prove that the energy is decreasing in each *** effective continuation schemes are proposed to avoid trapping into the local *** results on 2D isotropic linear material demonstrate the effectiveness of the proposed methods.

关键词： Minimum compliance convolution thresholding linear elasticity

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