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Concentrated ternary ether electrolyte allows for stable cycling of a lithium metal battery with commercial mass loading high-nickel NMC and thin anodes

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Carbon Energy 2023年第3期5卷 2-18页

作者： Jun Yang Xing Li Ke Qu Yixian Wang Kangqi Shen Changhuan Jiang Bo Yu Pan Luo Zhuangzhi Li Mingyang Chen Bingshu Guo Mingshan Wang Junchen Chen Zhiyuan Ma Yun Huang Zhenzhong Yang Pengcheng Liu Rong Huang Xiaodi Ren David Mitlin School of New Energy and Materials Southwest Petroleum UniversityChengduChina Energy Storage Research Institute Southwest Petroleum UniversityChengduChina Shenzhen Key Laboratory of Nanobiomechanics Shenzhen Institutes of Advanced TechnologyChinese Academy of SciencesShenzhenChina China Key Laboratory of Polar Materials and Devices(MOE) Department of ElectronicsEast China Normal UniversityShanghaiChina Materials Science Program and Texas Materials Institute The University of Texas at AustinAustinTexasUSA Beijing Computational Science Research Center BeijingChina School of Materials Science and Engineering Center for Green Innovation University of Science and Technology BeijingBeijingChina Department of Materials Science and Engineering Hefei National Research Center for Physical Sciences at the MicroscaleUniversity of Science and Technology of ChinaHefeiAnhuiChina

A new concentrated ternary salt ether-based electrolyte enables stable cycling of lithium metal battery(LMB)cells with high-mass-loading(13.8 mg cm^(−2),2.5 mAh cm^(−2))NMC622(LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2))cathodes and 50μm Li ***“CETHER-3,”this electrolyte is based on LiTFSI,LiDFOB,and LiBF4 with 5 vol%fluorinated ethylene carbonate in 1,***-cial carbonate and state-of-the-art binary salt ether electrolytes were also tested as *** CETHER-3,the electrochemical performance of the full-cell battery is among the most favorably reported in terms of high-voltage cycling *** example,LiNi_(x)Mn_(y)Co_(1-x-y)O_(2)(NMC)-Li metal cells retain 80%capacity at 430 cycles with a 4.4 V cut-off and 83%capacity at 100 cycles with a 4.5 V cut-off(charge at C/5,discharge at C/2).According to simulation by density functional theory and molecular dynamics,this favorable performance is an outcome of enhanced coordination between Li^(+)and the solvent/salt *** advanced microscopy(high-resolution transmission electron microscopy,scanning electron microscopy)and surface science(X-ray photoelectron spectroscopy,time-of-fight secondary ion mass spectroscopy,Fourier-transform infrared spectroscopy,Raman spectroscopy),it is demonstrated that a thinner and more stable cathode electrolyte interphase(CEI)and solid electrolyte interphase(SEI)are *** CEI is rich in lithium sulfide(Li_(2)SO_(3)),while the SEI is rich in Li_(3)N and *** cycling,the CEI/SEI suppresses both the deleterious transformation of the cathode R-3m layered near-surface structure into disordered rock salt and the growth of lithium metal dendrites.

关键词： concentrated electrolyte density functional theory ether electrolyte high‐nickel cathode high‐voltage battery molecular dynamics

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Implicit Asymptotic Preserving Method for Linear Transport Equations

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Communications in computational Physics 2017年第6期22卷 157-181页

作者： Qin Li Li Wang Mathematics Department University of Wisconsin-Madison480 Lincoln Dr.MadisonWI 53705USA Departments of Mathematics and Computational Data-Enabled Science and Engineering Program State University of New York at Buffalo244 Mathematics BuildingBuffaloNY 14260USA The Optimization Group TheWisconsin Institute ofDiscoveryMadisonWI 53715USA

The computation of the radiative transfer equation is expensive mainly due to two stiff terms:the transport term and the collision *** stiffness in the former comes from the fact that particles(such as photons)travel at the speed of light,while that in the latter is due to the strong scattering in the optically thick *** study the fully implicit scheme for this equation to account for the *** main challenge in the implicit treatment is the coupling between the spacial and angular coordinates that requires the large size of the to-be-inverted matrix,which is also ill-conditioned and not necessarily *** main idea is to utilize the spectral structure of the ill-conditioned matrix to construct a pre-conditioner,which,along with an exquisite split of the spatial and angular dependence,significantly improve the condition number and allows a matrix-free *** also design a fast solver to compute this pre-conditioner explicitly in *** method is shown to be efficient in both diffusive and free streaming limit,and the computational cost is comparable to the state-of-the-art *** examples including anisotropic scattering and two-dimensional problems are provided to validate the effectiveness of our method.

关键词： Implicitmethod asymptotic preserving pre-conditioner diffusive regime free streaming limit

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What affects the performance of POD for the simulation of heat transfer through building component? 8

What affects the performance of POD for the simulation of he...

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8th International Building Physics Conference, IBPC 2021

作者： Hou, Tianfeng Roels, Staf Janssen, Hans KU Leuven Department of Civil Engineering Building Physics Section Leuven3001 Belgium Data Assimilation Research Team RIKEN Center for Computational Science Kobe Japan RIKEN Prediction Science Laboratory Kobe Japan RIKEN Interdisciplinary Theoretical and Mathematical Sciences Program Kobe Japan

The capability of the proper orthogonal decomposition for the simulation of heat transfer in building components is investigated via three applications: linear heat transfer (not coupled to mass transfer), mildly non-linear heat transfer (coupled to air and moisture transfer (hygroscopic)) and highly non-linear heat transfer (coupled to moisture transfer (capillary)). It is shown that increasing non-linearity leads to an increasing number of required construction modes. To further investigate the reason for this degrading performance of POD, the singular values' decay progress from the different training snapshots is addressed in this paper. The results confirm that a fast decay of the singular values implies a high interrelation of the snapshots and a better performance of the POD method. © 2021 Institute of Physics Publishing. All rights reserved.

关键词： Heat transfer

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Design and Performance Evaluation of a P4 based Load Balancer 8

Design and Performance Evaluation of a P4 based Load Balance...

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8th International Conference on Innovation, Communication and engineering, ICICE 2019

作者： Hsu, Shih-Jung Ke, Chih-Heng Chen, Yeong-Sheng Hung, Cheng-Feng Lo, Yu-Wen Master Degree Program of Computational Intelligence and Applications National Quemoy University Taiwan National Taipei University of Education Department of Computer Science Taiwan Master of Information Technology and Application National Quemoy University Taiwan National Quemoy University Department of Computer Science and Information Engineering Taiwan

ISBN: (纸本)9781728158396

Being increasingly dense and mature in layout, Internet has become an infrastructure for a state. The traditional single server can no longer bear the network traffic in rapid growth. For example, once the booking service for concert tickets is made available to the public, we are always prompted when clicking into the booking system that the server is busy. And when the system is finally restored normal, the tickets have been sold out. The load issue puzzling the ticket system also occurs in the transportation section every time when a long holiday is coming. Even though the system is updated on a yearly basis, net- work congestion still happens frequently. Therefore, there is still great space for the development of the ways and mechanisms of load balance in traditional multi-servers. Evaluation of the mech- anism and efficacy of load balance through P4Switch is proposed in this paper in the hope to achieve more efficient server load balance. © 2019 IEEE.

关键词： loadbalance openflow p4switch sdn

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Prediction of protein subcellular localization in single cells

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Nature Methods 2025年 1-11页

作者： Zhang, Xinyi Tseo, Yitong Bai, Yunhao Chen, Fei Uhler, Caroline Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge MA United States Eric and Wendy Schmidt Center Broad Institute of MIT and Harvard Cambridge MA United States Computational and Systems Biology Program Massachusetts Institute of Technology Cambridge MA United States Broad Institute of MIT and Harvard Cambridge MA United States Department of Stem Cell and Regenerative Biology Harvard University Cambridge MA United States

The subcellular localization of a protein is important for its function, and its mislocalization is linked to numerous diseases. Existing datasets capture limited pairs of proteins and cell lines, and existing protein localization prediction models either miss cell-type specificity or cannot generalize to unseen proteins. Here we present a method for Prediction of Unseen Proteins’ Subcellular localization (PUPS). PUPS combines a protein language model and an image inpainting model to utilize both protein sequence and cellular images. We demonstrate that the protein sequence input enables generalization to unseen proteins, and the cellular image input captures single-cell variability, enabling cell-type-specific predictions. Experimental validation shows that PUPS can predict protein localization in newly performed experiments outside the Human Protein Atlas used for training. Collectively, PUPS provides a framework for predicting differential protein localization across cell lines and single cells within a cell line, including changes in protein localization driven by mutations. © The Author(s), under exclusive licence to Springer Nature America, Inc. 2025.

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Mass transport in a highly immiscible alloy on extended shear deformation

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Journal of Materials science & Technology 2023年第3期134卷 197-208页

作者： Miao Song Jia Liu Xiaolong Ma Qin Pang Matthew J.Olszta Joshua Silverstein Madhusudhan R.Pallaka Peter V.Sushko Suveen N.Mathaudhu Cynthia Powell Arun Devaraj Bharat Gwalani Physical and Computational Sciences Directorate Pacific Northwest National Laboratory902 Battelle BoulevardRichlandWA 99354USA Energy and Environmental Directorate Pacific Northwest National Laboratory902 Battelle BoulevardRichlandWA 99354USA Material Science and Engineering Program University of CaliforniaRiversideCA92521USA Colorado School of Mines 1500 Illinois St.GoldenCO 8040USA Department of Materials Science and Engineering North Carolina State UniversityRaleighNC27695-7907USA State Key Laboratory of Powder Metallurgy Central South Uni-versityChangsha 410083China

Forced mixing to a single-phase or supersaturated solid solution(SSS)and its prerequisite microstructure evolution in immiscible systems has been a focus of research for fundamental science and practical *** the formation of SSS by shear deformation could enable a material design beyond conventional equilibrium microstructure in immiscible ***,a highly immiscible Cu-50 at.%Cr binary alloy(mixing enthalpy of∼20 kJ mol^(−1))was employed to investigate the microstructure evolution and localized tendencies of SSS during severe shear *** results demonstrate the dislocation mediated microstructural refinement process in each phase of the binary alloy and the mechanisms associated with localized solute supersaturation as a function of shear *** grain refinement in the softer Cu phase occurs owing to the strain localization driving the preferential dynamic *** grain refinement of the Cr phase,however,is enabled by the progressive evolution of grain lamination,splitting,and fragmentation as a function of shear *** solute supersaturation is found to be strongly dependent on the local environments that affect the dislocation activity,including the level of microstructure refinement,the interfacial orientation relationship,the mechanical incompatibility,and the localized preferential phase *** initio simulations confirm that it is more favorable to oxidize Cr than Cu at incoherent Cu/Cr interfaces,limiting the mass transport on an incoherent *** results unveil the mechanism underpinning the non-equilibrium mass transport in immiscible systems upon severe deformation that can be applied to produce immiscible alloys with superior mechanical properties.

关键词： Tribology Immiscible alloys Nanostructures Shear deformation Forced mixing Atom probe

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Implementation of OpenMP and MPI hybrid parallelization to Monte Carlo dose simulation for particle therapy

Implementation of OpenMP and MPI hybrid parallelization to M...

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World Congress on Medical Physics and Biomedical engineering

作者： Furuta, T. Ishikawa, K.L. Fukunishi, N. Noda, S. Takagi, S. Maeyama, T. Fukasaku, K. Himeno, R. RIKEN Computational Science Research Program Wako Japan University of Tokyo Department of Nuclear Engineering and Management Graduate School of Engineering Tokyo Japan RIKEN Nishina Center for Accelerator-Based Science Wako Japan RIKEN Advanced Center for Computing and Communication Wako Japan University of Tokyo Department of Mechanical Engineering Tokyo Japan Himon'ya Hospital Department of Neurosurgery Tokyo Japan

ISBN: (纸本)9783642293047

We report a successful implementation of the sharedmemory parallelization using OpenMP to the dose calculation by the Monte Carlo particle and heavy-ion transport code PHITS. The OpenMP shared-memory parallelization is better suited than the MPI distributed-memory parallelization which is originally implemented in the PHITS code in the case of human voxel data which requires a large memory space. We have confirmed that the same results can be obtained with and without the shared-memory parallelization by the modified PHITS code. Sufficiently high OpenMP parallelization efficiency (92.4% with 8 parallelized cores within a single node) is achieved even when the special treatment for accessing memory to avoid memory contentions is taken into account. We implement the OpenMP parallelization on top of the MPI parallelization originally included in PHITS so that the modified code works in a hybrid way such that the distributed-memory parallelization for different nodes by MPI and the shared-memory parallelization among the cores in a single node by OpenMP. The performance has been checked on supercomputers: RICC and K computer. © 2013 Springer-Verlag.

关键词： Supercomputers

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Comparison of load path definitions in 2-D continuum structures

Comparison of load path definitions in 2-D continuum structu...

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作者： Marhadi, Kun S. Venkataraman., Satchi Computational Science Program San Diego State University San Diego CA 92182-1308 United States Department of Aerospace Engineering and Engineering Mechanics San Diego State University Mail Code 1308 5500 Campanile Drive San Diego CA 92182-1308 United States

ISBN: (纸本)9781563479731

The structural mechanics community has developed several methods to identify and visualize load paths in structures. There is no single accepted approach or method to characterize, quantify, visualize and tailor load paths. This paper compares various methods proposed to characterize and visualize load paths. The comparison is performed for a two-dimensional (2-D) rectangular plate under plane stress conditions arising from different loading and boundary conditions. The effectiveness and computational effort of each method are compared. The comparisons shows the methods provide different results and insights into the load transfer mechanisms. No single method appears to emerge as a clear choice for characterizing load paths. However, some methods provide more qualitative and quantitative information on the trajectory and efficiency of load transfer along load paths. Copyright © 2009 by the authors.

关键词： Rectangular plate

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Machine-learning-based non-Newtonian fluid model with molecular fidelity

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Physical Review E 2020年第4期102卷 043309-043309页

作者： Huan Lei Lei Wu Weinan E Department of Computational Mathematics Science & Engineering and Department of Statistics & Probability Michigan State University East Lansing Michigan 48824 USA Department of Mathematics and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

We introduce a machine-learning-based framework for constructing continuum a non-Newtonian fluid dynamics model directly from a microscale description. Dumbbell polymer solutions are used as examples to demonstrate the essential ideas. To faithfully retain molecular fidelity, we establish a micro-macro correspondence via a set of encoders for the microscale polymer configurations and their macroscale counterparts, a set of nonlinear conformation tensors. The dynamics of these conformation tensors can be derived from the microscale model, and the relevant terms can be parametrized using machine learning. The final model, named the deep non-Newtonian model (DeePN2), takes the form of conventional non-Newtonian fluid dynamics models, with a generalized form of the objective tensor derivative that retains the microscale interpretations. Both the formulation of the dynamic equation and the neural network representation rigorously preserve the rotational invariance, which ensures the admissibility of the constructed model. Numerical results demonstrate the accuracy of DeePN2 where models based on empirical closures show limitations.

关键词： Learning Neuronal networks Complex fluids Non-Newtonian fluids Rheology Viscoelasticity Multiscale modeling

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Using SYCLomatic to Migrate CUDA Code to oneAPI Adapting NVIDIA GPU

Using SYCLomatic to Migrate CUDA Code to oneAPI Adapting NVI...

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IEEE International Conference on Cluster Computing Workshops and Posters (CLUSTER WORKSHOPS)

作者： Wentao Liang Norihisa Fujita Ryohei Kobayashi Taisuke Boku Master's Program in Computer Science Degree Program in Systems and Information Engineering Graduate School of Science and Technology University of Tsukuba Center for Computational Sciences University of Tsukuba

ISBN: (数字)9798350383454

ISBN: (纸本)9798350383461

Nowadays, the use of accelerators in high performance computing has become more common than ever before. The most used accelerators must be the Graphics Processing Unit (GPU). It has emerged as an important component in most of the parallel computing scenarios, surpassing the capabilities of the traditional Central Processing Unit (CPU) in perspective of both performance and energy efficiency.

关键词： Codes Conferences High performance computing Graphics processing units Cluster computing Parallel processing Energy efficiency Central Processing Unit

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