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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…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Antiferromagnetic spintronic devices have the potential to outperform conventional ferromagnetic devices due to their ultrafast dynamics and high data density. A challenge in designing these devices is the control and detection of the…

Materials Science · Physics 2021-01-20 Sarah Jenkins , Roy W. Chantrell , Richard F. L. Evans

The microstructure of metals and foams can be effectively modelled with anisotropic power diagrams (APDs), which provide control over the shape of individual grains. One major obstacle to the wider adoption of APDs is the computational cost…

Materials Science · Physics 2024-05-22 Maciej Buze , Jean Feydy , Steven M. Roper , Karo Sedighiani , David P. Bourne

Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

Materials Science · Physics 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

An expression for the stress tensor near an external boundary of a discrete mechanical system is derived explicitly in terms of the constituents' degrees of freedom and interaction forces. Starting point is the exact and general coarse…

Soft Condensed Matter · Physics 2011-08-26 Thomas Weinhart , Anthony R. Thornton , Stefan Luding , Onno Bokhove

The interplay between the diffusion-controlled dynamics of a solidification front and the trajectory of a grain boundary groove at the solid-liquid interface is studied by means of thin-sample directional solidification experiments of a…

The performance of a Cosserat/micropolar solid as a numerical vehicle to represent dispersive media is explored. The study is conducted using the finite element method with emphasis on Hermiticity, positive definiteness, principle of…

Computational Physics · Physics 2019-09-17 Nicolás Guarín-Zapata , Juan Gomez , Camilo Valencia , Gary F. Dargush , Ali Reza Hadjesfandiari

Cohesive laws are stress-strain curves used in finite element calculations to describe the debonding of interfaces such as grain boundaries. It would be convenient to describe grain boundary cohesive laws as a function of the parameters…

Materials Science · Physics 2009-11-13 Valerie R. Coffman , James P. Sethna

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…

Computational Physics · Physics 2019-01-18 Emilio Martínez-Pañeda

This work presents a comprehensive phase-field framework for modeling anisotropic viscoelastic-viscoplastic fracture in short fiber-reinforced polymer (SFRP) composites under hygrothermal environments at finite deformation. The constitutive…

Computational Engineering, Finance, and Science · Computer Science 2026-03-04 Behrouz Arash , Shadab Zakavati , Timon Rabczuk

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…

Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is…

Soft Condensed Matter · Physics 2014-07-04 J. McCarty , A. J. Clark , J. Copperman , M. G. Guenza

We study kinetic theories for isotropic, two-dimensional grain boundary networks which evolve by curvature flow. The number densities $f_s(x,t)$ for $s$-sided grains, $s =1,2,\ldots$, of area $x$ at time $t$, are modeled by kinetic…

Analysis of PDEs · Mathematics 2021-03-23 Joe Klobusicky , Govind Menon , Robert L. Pego

This study proposes a new full-field approach for modeling grain boundary pinning by second phase particles in two-dimensional polycrystals. These particles are of great importance during thermomechanical treatments, as they produce…

Computational Engineering, Finance, and Science · Computer Science 2025-01-22 Sebastian Florez , Marc Bernacki

We present an experimental study of the compaction dynamics for two-dimensional anisotropic granular systems. Compaction dynamics is measured at three different scales : (i) the macroscopic scale through the packing fraction $\rho$, (ii)…

Disordered Systems and Neural Networks · Physics 2009-11-11 G. Lumay , N. Vandewalle

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

This work proposes a nonlinear finite element method whose nodal values preserve bounds known for the exact solution. The discrete problem involves a nonlinear projection operator mapping arbitrary nodal values into bound-preserving ones…

Numerical Analysis · Mathematics 2023-04-04 Gabriel Barrenechea , Emmanuil Georgoulis , Tristan Pryer , Andreas Veeser

In this work, a polygonal Reissner-Mindlin plate element is presented. The formulation is based on a scaled boundary finite element method, where in contrast to the original semi-analytical approach, linear shape functions are introduced…

Computational Engineering, Finance, and Science · Computer Science 2025-10-24 Anna Hellers , Mathias Reichle , Sven Klinkel

A novel continuum theory of incoherent interfaces with triple junctions is applied to study three-dimensional coupled grain boundary (GB) motion in polycrystalline materials. The kinetic relations for grain dynamics, relative sliding and…

Materials Science · Physics 2017-02-08 Anup Basak , Anurag Gupta
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