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We investigate an initial-(periodic-)boundary value problem for a continuum equation, which is a model for motion of grain boundaries based on the underlying microscopic mechanisms of line defects (disconnections) and integrated the effects…

Analysis of PDEs · Mathematics 2022-04-29 Peicheng Zhu , Lei Yu , Yang Xiang

An atomic level micromagnetic model of granular recording media is developed and applied to examine external field-induced grain switching at elevated temperatures which captures non-uniform reversal modes. The results are compared with…

Mesoscale and Nanoscale Physics · Physics 2012-02-07 J. I. Mercer , M. L. Plumer , J. P. Whitehead , anf J. van Ek

A simple and efficient interface-fitted mesh generation algorithm is developed in this paper. This algorithm can produce a local anisotropic fitting mixed mesh which consists of both triangles and quadrilaterals near the interface. A new…

Numerical Analysis · Mathematics 2020-05-13 Jun Hu , Hua Wang

Acoustic wave propagation through a homogeneous material embedded in an unbounded medium can be formulated as a boundary integral equation and accurately solved with the boundary element method. The computational efficiency deteriorates at…

Numerical Analysis · Mathematics 2024-02-21 Elwin van 't Wout

In this paper, we discuss the accuracy and the robustness of the mixed Virtual Element Methods when dealing with highly-anisotropic diffusion problems. In particular, we analyze the performances of different approaches which are…

Numerical Analysis · Mathematics 2024-12-18 Stefano Berrone , Stefano Scialò , Gioana Teora

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

Equations for the transformed volume fraction of a spherical particle with nucleation on its surface, both nonisothermal and isothermal, are derived in the framework of Kolmogorov method adapted for this problem. Characteristic parameters…

Materials Science · Physics 2020-06-08 Nikolay V. Alekseechkin

Rate of grain growth, which aides in achieving desired properties in polycrystalline materials, is conventionally estimated by measuring the size of grains and tracking its change in micrographs reflecting the temporal evolution. Techniques…

Materials Science · Physics 2024-06-17 Manoj Prabakar , P G Kubendran Amos

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…

Materials Science · Physics 2014-12-30 Anup Basak , Anurag Gupta

Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…

Numerical Analysis · Mathematics 2024-09-26 Xiaofeng Xu , Lian Zhang , Yin Shi , Long-Qing Chen , Jinchao Xu

Fiber-reinforced soft biological tissues are typically modeled as hyperelastic, anisotropic, and nearly incompressible materials. To enforce incompressibility a multiplicative split of the deformation gradient into a volumetric and an…

Numerical Analysis · Mathematics 2022-04-13 Elias Karabelas , Matthias A. F. Gsell , Gundolf Haase , Gernot Plank , Christoph M. Augustin

Grain boundary (GB) migration plays a crucial role in the thermal and mechanical responses of polycrystalline materials, particularly in ultrafine-grained and nano-grained materials exhibiting grain size-dependent properties. This study…

Materials Science · Physics 2024-04-08 Liang Yang , Xinyuan Song , Tingting Yu , Dahai Liu , Chuang Deng

The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…

Materials Science · Physics 2015-10-23 A. V. Khomenko , D. S. Troshchenko , L. S. Metlov

A simple finite element formulation of the outlet gradient boundary condition is presented in the general context of convective-diffusive transport processes. Basically, the method is based on an upstream evaluation of the dependent…

Fluid Dynamics · Physics 2011-11-15 Fabien Cornaton , Pierre Perrochet , Hans-Jörg Diersch

Heterogeneous anisotropic diffusion problems arise in the various areas of science and engineering including plasma physics, petroleum engineering, and image processing. Standard numerical methods can produce spurious oscillations when they…

Numerical Analysis · Mathematics 2015-05-18 Xianping Li , Weizhang Huang

The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…

Soft Condensed Matter · Physics 2017-02-27 J. Liu , E. Bosco , A. S. J. Suiker

This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…

Computational Engineering, Finance, and Science · Computer Science 2019-04-30 Eric Neiva , Santiago Badia , Alberto F. Martín , Michele Chiumenti

Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in…

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the \gamma-surface method as a union of two perfect half…

Materials Science · Physics 2017-11-21 T. Frolov , W. Setyawan , R. J. Kurtz , J. Marian , A. R. Oganov , R. E. Rudd , Q. Zhu

Faceted grain boundaries, where grain boundary area is increased in the name of producing low-energy segments, can exhibit new and unexpected migration trends. For example, several faceted $\Sigma$3 boundaries have demonstrated anti-thermal…

Materials Science · Physics 2020-06-24 Megan J. McCarthy , Timothy J. Rupert