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Multiscale Model. Simul.最新文献

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Multiscale Analysis for Dynamic Contact Angle Hysteresis on Rough Surfaces 粗糙表面动态接触角滞后的多尺度分析
Multiscale Model. Simul. Pub Date : 2023-03-30 DOI: 10.1137/22m1504603
Si Xiao, Xianmin Xu, Zhen Zhang
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引用次数: 1
Metropolis Crystal Surface Dynamics in the Rough Scaling Limit: From Local Equilibrium to Semi-Empirical PDE 粗糙标度极限下的大都市晶体表面动力学:从局部平衡到半经验PDE
Multiscale Model. Simul. Pub Date : 2023-03-15 DOI: 10.1137/22m1500472
A. Katsevich
{"title":"Metropolis Crystal Surface Dynamics in the Rough Scaling Limit: From Local Equilibrium to Semi-Empirical PDE","authors":"A. Katsevich","doi":"10.1137/22m1500472","DOIUrl":"https://doi.org/10.1137/22m1500472","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122191163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models 晶体缺陷的QM/MM方法。第3部分:机器学习MM模型
Multiscale Model. Simul. Pub Date : 2022-12-20 DOI: 10.1137/21m1441122
Huajie Chen, C. Ortner, Yangshuai Wang
{"title":"QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models","authors":"Huajie Chen, C. Ortner, Yangshuai Wang","doi":"10.1137/21m1441122","DOIUrl":"https://doi.org/10.1137/21m1441122","url":null,"abstract":"We develop and analyze a framework for consistent QM/MM (quantum/classic) hybrid models of crystalline defects, which admits general atomistic interactions including traditional off-the-shell interatomic potentials as well as state of art “machine-learned interatomic potentials”. We (i) establish an a priori error estimate for the QM/MM approximations in terms of matching conditions between the MM and QM models, and (ii) demonstrate how to use these matching conditions to construct pracical machine learned MM potentials specifically for QM/MM simulations.","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"208 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122770401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 19
A Diffuse-Domain Phase-Field Lattice Boltzmann Method for Two-Phase Flows in Complex Geometries 复杂几何两相流的扩散域相场晶格玻尔兹曼方法
Multiscale Model. Simul. Pub Date : 2022-12-05 DOI: 10.1137/22m1475120
Xi Liu, Z. Chai, C. Zhan, B. Shi, Wenhuan Zhang
{"title":"A Diffuse-Domain Phase-Field Lattice Boltzmann Method for Two-Phase Flows in Complex Geometries","authors":"Xi Liu, Z. Chai, C. Zhan, B. Shi, Wenhuan Zhang","doi":"10.1137/22m1475120","DOIUrl":"https://doi.org/10.1137/22m1475120","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121474127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Homogenization of the Stokes System in a Domain with an Oscillating Boundary 具有振荡边界域上Stokes系统的均匀化
Multiscale Model. Simul. Pub Date : 2022-12-05 DOI: 10.1137/22m1474345
T. Muthukumar, Sankar Kasinathan
{"title":"Homogenization of the Stokes System in a Domain with an Oscillating Boundary","authors":"T. Muthukumar, Sankar Kasinathan","doi":"10.1137/22m1474345","DOIUrl":"https://doi.org/10.1137/22m1474345","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124311120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Trapping of Planar Brownian Motion: Full First Passage Time Distributions by Kinetic Monte Carlo, Asymptotic, and Boundary Integral Methods 平面布朗运动的俘获:动力学蒙特卡罗、渐近和边界积分方法的完全第一通过时间分布
Multiscale Model. Simul. Pub Date : 2022-11-18 DOI: 10.1137/21m146380x
Jake Cherry, A. Lindsay, Adrian Navarro Hernandez, B. Quaife
{"title":"Trapping of Planar Brownian Motion: Full First Passage Time Distributions by Kinetic Monte Carlo, Asymptotic, and Boundary Integral Methods","authors":"Jake Cherry, A. Lindsay, Adrian Navarro Hernandez, B. Quaife","doi":"10.1137/21m146380x","DOIUrl":"https://doi.org/10.1137/21m146380x","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"43 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114835242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Fast Butterfly-compressed Hadamard-Babich Integrator for High-Frequency Helmholtz Equations in Inhomogeneous Media with Arbitrary Sources 非齐次介质中高频Helmholtz方程的快速蝴蝶压缩Hadamard-Babich积分器
Multiscale Model. Simul. Pub Date : 2022-10-06 DOI: 10.48550/arXiv.2210.02698
Yang Liu, Jian Song, R. Burridge, J. Qian
{"title":"A Fast Butterfly-compressed Hadamard-Babich Integrator for High-Frequency Helmholtz Equations in Inhomogeneous Media with Arbitrary Sources","authors":"Yang Liu, Jian Song, R. Burridge, J. Qian","doi":"10.48550/arXiv.2210.02698","DOIUrl":"https://doi.org/10.48550/arXiv.2210.02698","url":null,"abstract":"We present a butterfly-compressed representation of the Hadamard-Babich (HB) ansatz for the Green's function of the high-frequency Helmholtz equation in smooth inhomogeneous media. For a computational domain discretized with $N_v$ discretization cells, the proposed algorithm first solves and tabulates the phase and HB coefficients via eikonal and transport equations with observation points and point sources located at the Chebyshev nodes using a set of much coarser computation grids, and then butterfly compresses the resulting HB interactions from all $N_v$ cell centers to each other. The overall CPU time and memory requirement scale as $O(N_vlog^2N_v)$ for any bounded 2D domains with arbitrary excitation sources. A direct extension of this scheme to bounded 3D domains yields an $O(N_v^{4/3})$ CPU complexity, which can be further reduced to quasi-linear complexities with proposed remedies. The scheme can also efficiently handle scattering problems involving inclusions in inhomogeneous media. Although the current construction of our HB integrator does not accommodate caustics, the resulting HB integrator itself can be applied to certain sources, such as concave-shaped sources, to produce caustic effects. Compared to finite-difference frequency-domain (FDFD) methods, the proposed HB integrator is free of numerical dispersion and requires fewer discretization points per wavelength. As a result, it can solve wave-propagation problems well beyond the capability of existing solvers. Remarkably, the proposed scheme can accurately model wave propagation in 2D domains with 640 wavelengths per direction and in 3D domains with 54 wavelengths per direction on a state-the-art supercomputer at Lawrence Berkeley National Laboratory.","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"58 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116588831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Geometric Evolution of Bilayers under the Degenerate Functionalized Cahn-Hilliard Equation 退化泛函Cahn-Hilliard方程下双层结构的几何演化
Multiscale Model. Simul. Pub Date : 2022-09-30 DOI: 10.1137/21m1467791
Shibin Dai, Toai Luong, Xiang Ma
{"title":"Geometric Evolution of Bilayers under the Degenerate Functionalized Cahn-Hilliard Equation","authors":"Shibin Dai, Toai Luong, Xiang Ma","doi":"10.1137/21m1467791","DOIUrl":"https://doi.org/10.1137/21m1467791","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133598197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hyperbolic Systems of Moment Equations Describing Sedimentation in Suspensions of Rod-Like Particles 描述棒状颗粒悬浮液中沉降的力矩方程双曲系统
Multiscale Model. Simul. Pub Date : 2022-09-27 DOI: 10.1137/21m1464592
Sina Dahm, Christiane Helzel
{"title":"Hyperbolic Systems of Moment Equations Describing Sedimentation in Suspensions of Rod-Like Particles","authors":"Sina Dahm, Christiane Helzel","doi":"10.1137/21m1464592","DOIUrl":"https://doi.org/10.1137/21m1464592","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122321211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High Order Topological Asymptotics: Reconciling Layer Potentials and Compound Asymptotic Expansions 高阶拓扑渐近:调和层势与复合渐近展开
Multiscale Model. Simul. Pub Date : 2022-09-19 DOI: 10.1137/21m1461277
F. Feppon, H. Ammari
{"title":"High Order Topological Asymptotics: Reconciling Layer Potentials and Compound Asymptotic Expansions","authors":"F. Feppon, H. Ammari","doi":"10.1137/21m1461277","DOIUrl":"https://doi.org/10.1137/21m1461277","url":null,"abstract":"","PeriodicalId":313703,"journal":{"name":"Multiscale Model. Simul.","volume":"57 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126478971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
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