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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

Grain boundaries are dominant imperfections in nanocrystalline materials that form a complex 3-dimensional (3D) network. Solute segregation to grain boundaries is strongly coupled to the grain boundary character, which governs the stability…

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

Standard variational methods tend to obtain upper bounds on the ground state energy of quantum many-body systems. Here we study a complementary method that determines lower bounds on the ground state energy in a systematic fashion, scales…

Quantum Physics · Physics 2015-05-28 Tillmann Baumgratz , Martin B. Plenio

To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…

Materials Science · Physics 2021-05-12 István Groma , Péter Dusán Ispánovity , Thomas Hochrainer

Plasticity is governed by the evolution of, in general anisotropic, systems of dislocations. We seek to faithfully represent this evolution in terms of density-like variables which average over the discrete dislocation microstructure.…

Materials Science · Physics 2016-09-21 Mehran Monavari , Stefan Sandfeld , Michael Zaiser

Revealing statistics of H-defect interactions provides insights into significant ductility loss due to the particular strain partitioning in H-charged structural alloys. Experimental investigation of these interactions is extremely…

Materials Science · Physics 2025-01-22 Matthew J. Melfi , S. Mohadeseh Taheri-Mousavi

Numerical simulation of flow problems and wave propagation in heterogeneous media has important applications in many engineering areas. However, numerical solutions on the fine grid are often prohibitively expensive, and multiscale model…

Numerical Analysis · Mathematics 2019-09-30 Siu Wun Cheung , Eric T. Chung , Wing Tat Leung

We analyze a mathematical model of elastic dislocations with applications to geophysics, where by an elastic dislocation we mean an open, oriented Lipschitz surface in the interior of an elastic solid, across which there is a discontinuity…

Analysis of PDEs · Mathematics 2019-11-13 Andrea Aspri , Elena Beretta , Anna L. Mazzucato , Maarten V. de Hoop

Conventional grain growth is rate-limited by the mobility of grain boundary. To describe similar phenomena limited by the mobility of other grain junctions, we have developed a general theory allowing for size-dependent mobility and its…

Materials Science · Physics 2017-08-16 Yanhao Dong , I-Wei Chen

Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values and histograms. Two kinds of microstructures are considered, some are generated…

Materials Science · Physics 2022-04-06 Brayan Murgas , Baptiste Flipon , Nathalie Bozzolo , Marc Bernacki

Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…

Computational Engineering, Finance, and Science · Computer Science 2022-12-14 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

Nanoindentation is a convenient method to investigate the mechanical properties of materials on small scales by utilizing low loads and small indentation depths. However, the effect of grain boundaries (GB) on the nanoindentation response…

Materials Science · Physics 2019-03-27 Songjiang Lu , Bo Zhang , Xiangyu Li , Junwen Zhao , Michael Zaiser , Haidong Fan , Xu Zhang

In the present letter a method to find a proper expression for the force distribution inside a granular sample in static equilibrium is proposed. The method is based in statistical mechanics and the force distribution is obtained by…

Computational Physics · Physics 2015-03-13 S. A. Galindo-Torres

Granular matter is comprised of a large number of particles whose collective behavior determines macroscopic properties such as flow and mechanical strength. A comprehensive theory of the properties of granular matter, therefore, requires a…

Statistical Mechanics · Physics 2009-11-13 Silke Henkes , Corey S. O'Hern , Bulbul Chakraborty

Motivated by subdiffusive motion of bio-molecules observed in living cells we study the stochastic properties of a non-Brownian particle whose motion is governed by either fractional Brownian motion or the fractional Langevin equation and…

Statistical Mechanics · Physics 2016-09-08 Jae-Hyung Jeon , Ralf Metzler

This work introduces a simple quantitative model for the Frank--Read source, considered to be one of the most important micro-mechanical mechanisms of dislocation creation in crystalline materials. It has long been known that these sources…

Materials Science · Physics 2025-05-19 Thomas Hudson , Filip Rindler , Joshua Rydell

This paper develops a comprehensive mathematical framework for energy-based modeling of physical systems, with particular emphasis on preserving fundamental structural properties throughout the modeling and discretization process. The…

Numerical Analysis · Mathematics 2025-12-11 M. H. M Rashid

The stochastic differential equations for a model of dissipative particle dynamics, with both total energy and total momentum conservation at every time-step, are presented. The algorithm satisfies detailed balance as well as the…

Statistical Mechanics · Physics 2007-05-23 Allan D. Mackie , Josep Bonet Avalos

The dual continuum model serves as a powerful tool in the modeling of subsurface applications. It allows a systematic coupling of various components of the solutions. The system is of multiscale nature as it involves high heterogeneous and…

Numerical Analysis · Mathematics 2018-07-31 Siu Wun Cheung , Eric T. Chung , Yalchin Efendiev , Wing Tat Leung , Maria Vasilyeva