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For over three decades, the front-capturing level-set method has demonstrated its prowess for the simulation, at the mesoscopic scale, of numerous mechanisms in the context of microstructure evolution occurring during complex…

计算工程、金融与科学 · 计算机科学 2023-10-10 Marc Bernacki

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

材料科学 · 物理学 2025-05-09 Pungponhavoan Tep , Marc Bernacki

A numerical investigation of grain-boundary (GB) grooving by means of the Level Set (LS) method is carried out. GB grooving is emerging as a key element of electromigration drift in polycrystalline microelectronic interconnects, as…

材料科学 · 物理学 2007-05-23 M. Khenner , A. Averbuch , M. Israeli , M. Nathan , E. Glickman

The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…

计算物理 · 物理学 2015-12-18 E. Bayerschen , M. Stricker , S. Wulfinghoff , D. Weygand , T. Böhlke

We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…

软凝聚态物质 · 物理学 2025-07-16 Debdeep Bhattacharya , Davood Damircheli , Robert P. Lipton

In this paper we present a new high order semi-implicit DG scheme on two-dimensional staggered triangular meshes applied to different nonlinear systems of hyperbolic conservation laws such as advection-diffusion models, incompressible…

数值分析 · 数学 2024-02-13 M. Tavelli , W. Boscheri

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

计算工程、金融与科学 · 计算机科学 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros

We present a new particle tracking algorithm to accurately resolve large deformation and rotational motion fields, which takes advantage of both local and global particle tracking algorithms. We call this method the ScalE and Rotation…

This article presents a unified synchronization framework with application to precision formation flying spacecraft. Central to the proposed innovation, in applying synchronization to both translational and rotational dynamics in the…

最优化与控制 · 数学 2011-08-05 Soon-Jo Chung , Umair Ahsun , Jean-Jacques E. Slotine

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…

材料科学 · 物理学 2023-01-12 Huaiqian You , Xiao Xu , Yue Yu , Stewart Silling , Marta D'Elia , John Foster

Coarse-graining has become an area of tremendous importance within many different research fields. For molecular simulation, coarse-graining bears the promise of finding simplified models such that long-time simulations of large-scale…

化学物理 · 物理学 2019-09-04 Feliks Nüske , Lorenzo Boninsegna , Cecilia Clementi

Grain growth in polycrystals is one of the principal mechanisms that take place during heat treatment of metallic components. This work treats an aspect of the anisotropic grain growth problem. By applying the first principles of…

计算工程、金融与科学 · 计算机科学 2020-06-30 J. Fausty , B. Murgas , S. Florez , N. Bozzolo , M. Bernacki

A recently developed full field level-set model of continuous dynamic recrystallization is applied to simulate zircaloy-4 recrystallization during hot compression and subsequent heat treatment. The influence of strain rate, final strain and…

材料科学 · 物理学 2023-04-21 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

Grain rotation and grain boundary (GB) sliding are two important mechanisms for grain coarsening and plastic deformation in nanocrystalline materials. They are in general coupled with GB migration and the resulting dynamics, driven by…

材料科学 · 物理学 2014-12-30 Anup Basak , Anurag Gupta

We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a…

机器学习 · 统计学 2017-02-01 Markus Schöberl , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis

Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…

动力系统 · 数学 2023-11-14 Thomas Hudson , Xingjie Helen Li

Work presented in this paper describes a general algorithm and its finite element implementation for performing concurrent multiple sub-domain simulations in linear structural dynamics. Using this approach one can solve problems in which…

数值分析 · 数学 2013-12-25 Tejas Ruparel , Azim Eskandarian , James Lee

The growth of dendritic grains during solidification is often modelled using the Grain Envelope Model (GEM), in which the envelope of the dendrite is an interface tracked by the Phase Field Interface Capturing (PFIC) method. In the PFIC…

数值分析 · 数学 2024-02-22 Mitja Jančič , Miha Založnik , Gregor Kosec

The front-capturing Level-Set (LS) method is widely employed in academia and industry to model grain boundary (GB) migration during the microstructure evolution of polycrystalline materials under thermo-mechanical treatments. During…

计算工程、金融与科学 · 计算机科学 2025-03-05 Tianchi Li , Marc Bernacki

Four different finite element level-set (FE-LS) formulations are compared for the modeling of grain growth in the context of polycrystalline structures and, moreover, two of them are presented for the first time using anisotropic grain…

材料科学 · 物理学 2021-08-04 Brayan Murgas , Sebastian Florez , Nathalie Bozzolo , Julien Fausty , Marc Bernacki