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We develop a machine-learning method for coarse-graining condensed-phase molecular systems using anisotropic particles. The method extends currently available high-dimensional neural network potentials by addressing molecular anisotropy. We…

统计力学 · 物理学 2023-07-12 Marltan O. Wilson , David M. Huang

We investigate the numerical implementation of functionally graded properties in the context of the finite element method. The macroscopic variation of elastic properties inherent to functionally graded materials (FGMs) is introduced at the…

计算物理 · 物理学 2019-01-18 Emilio Martínez-Pañeda

In electromagnetic simulations of magnets and machines one is often interested in a highly accurate and local evaluation of the magnetic field uniformity. Based on local post-processing of the solution, a defect correction scheme is…

数值分析 · 数学 2017-02-09 Ulrich Römer , Sebastian Schöps , Herbert De Gersem

Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…

软凝聚态物质 · 物理学 2024-04-18 Takeo Sudo , Satoki Ishiai , Yuuki Ishiwatari , Takahiro Yokoyama , Kenji Yasuoka , Noriyoshi Arai

In this work, we employ the Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM) to solve the problem of linear heterogeneous poroelasticity with coefficients of high contrast. The proposed method makes use…

数值分析 · 数学 2019-09-04 Shubin Fu , Robert Altmann , Eric T. Chung , Roland Maier , Daniel Peterseim , Sai-Mang Pun

We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…

材料科学 · 物理学 2015-06-16 Zheng-Lu Li , Hai-Yuan Cao , Ji-Hui Yang , Qiang Shu , Yue-Yu Zhang , Hongjun Xiang , Xingao Gong

This study presents a novel approach to predicting mechanical properties of Additive Friction Stir Deposited (AFSD) aluminum alloy walled structures using biomimetic machine learning. The research combines numerical modeling of the AFSD…

机器学习 · 计算机科学 2024-08-13 Akshansh Mishra

We study an element agglomeration coarsening strategy that requires data redistribution at coarse levels when the number of coarse elements becomes smaller than the used computational units (cores). The overall procedure generates coarse…

Atomically thin polycrystalline transition-metal dichalcogenides (TMDs) are relevant to both fundamental science investigation and applications. TMD thin-films present uniquely difficult challenges to effective nanoscale crystalline…

介观与纳米尺度物理 · 物理学 2020-01-31 Brian Shevitski , Christopher T. Chen , Christoph Kastl , Tevye Kuykendall , Adam Schwartzberg , Shaul Aloni , Alex Zettl

It is known that the solution of a conservative steady-state two-sided fractional diffusion problem can exhibit singularities near the boundaries. As consequence of this, and due to the conservative nature of the problem, we adopt a finite…

数值分析 · 数学 2022-09-20 Marco Donatelli , Rolf Krause , Mariarosa Mazza , Ken Trotti

In this paper, the first large-scale application of multiscale-spectral generalized finite element methods (MS-GFEM) to composite aero-structures is presented. The crucial novelty lies in the introduction of A-harmonicity in the local…

A novel medium Mn steel of composition Fe-12Mn-4.8Al-2Si-0.32C-0.3V was manufactured with 1.09 GPa yield strength, 1.26 GPa tensile strength and 54% elongation. The thermomechanical process route was designed to be industrially translatable…

材料科学 · 物理学 2020-04-22 T W J Kwok , K M Rahman , X Xu , I Bantounas , J F Kelleher , S Daswari , T Alam , R Banerjee , D Dye

Additive manufacturing (AM) offers an unprecedented opportunity for the quick production of complex shaped parts directly from a powder precursor. But its application to functional materials in general and magnetic materials in particular…

材料科学 · 物理学 2019-04-02 Min Yi , Bai-Xiang Xu , Oliver Gutfleisch

In this study, a coarse-graining framework for discrete models is formulated on the basis of multiscale homogenization. The discrete model considered in this paper is the Lattice Discrete Particle Model (LDPM), which simulates concrete at…

材料科学 · 物理学 2018-04-24 Erol Lale , Roozbeh Rezakhani , Mohammed Alnaggar , Gianluca Cusatis

Constructing precise micro-nano metal patterns on complex three-dimensional (3D) plastic parts allows the fabrication of functional devices for advanced applications. However, this patterning is currently expensive and requires complex…

机器人学 · 计算机科学 2021-12-23 Kewei Song , Yue Cui , Tiannan Tao , Xiangyi Meng , Michinari Sone , Masahiro Yoshino , Shinjiro Umezu , Hirotaka Sato

The oversampling multiscale finite element method (MsFEM) is one of the most popular methods for simulating composite materials and flows in porous media which may have many scales. But the method may be inapplicable or inefficient in some…

数值分析 · 数学 2012-11-16 Weibing Deng , Haijun Wu

The architectures of biological hard materials reveal finely tailored complex assemblies of mineral crystals. Numerous recent studies associate the design of these local assemblies with impressive macroscopic response. Reproducing such…

材料科学 · 物理学 2018-07-13 Hortense Le Ferrand , Florian Bouville , André R. Studart

We devised a general heterogeneous microstructural design methodology applied to a specific material system, elasto-electro-active piezoelectric ceramic embedded plastics, which has great potential in sensing, 5G communication, and energy…

材料科学 · 物理学 2025-07-25 Mohammad Saber Hashemi , Khiem Nguyen , Levi Kirby , Xuan Song , Azadeh Sheidaei

Cut finite element method (CutFEM) based approaches towards challenging fluid-structure interaction (FSI) are proposed. The different considered methods combine the advantages of competing novel Eulerian (fixed-grid) and established…

计算工程、金融与科学 · 计算机科学 2018-07-31 Benedikt Schott , Christoph Ager , Wolfgang A. Wall

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

机器学习 · 计算机科学 2021-03-31 Navid Zobeiry , Anoush Poursartip