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The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that…

Materials Science · Physics 2018-02-21 Qiang Zhu , Amit Samanta , Bingxi Li , Robert E. Rudd , Timofey Frolov

Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Aleksander Bach Lorentzen , Fei Gao , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microstructures may be driven by surface tension (capillarity),…

Computational Physics · Physics 2019-08-01 Chaozhen Wei , Luchan Zhang , Jian Han , David J. Srolovitz , Yang Xiang

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali

The phase behavior of grain boundaries can have a strong influence on interfacial properties. Little is known about the emergence of grain boundary phases in elemental metal systems and how they transform. Here, we observe the nanoscale…

A high degree of control over the structure and dynamics of domain patterns in nonequilibrium systems can be achieved by applying nonuniform external fields near parity breaking front bifurcations. An external field with a linear spatial…

patt-sol · Physics 2009-10-28 A. Hagberg , E. Meron , I. Rubinstein , B. Zaltzman

A thermodynamically consistent phase-field model is developed to study the non-isothermal grain coalescence during the sintering process, with a potential application to the simulation in unconventional sintering techniques, e.g. spark…

Materials Science · Physics 2018-06-08 Yangyiwei Yang , Min Yi , Bai-Xiang Xu , Long-Qing Chen

The stationary and highly non-stationary resonant dynamics of the harmonically forced pendulum are described in the framework of a semi-inverse procedure combined with the Limiting Phase Trajectory concept. This procedure, implying only…

Chaotic Dynamics · Physics 2016-04-25 Leonid I. Manevitch , Valeri V. Smirnov , Francesco Romeo

Grain boundary (GB) migration governs microstructure evolution and can mediate plastic deformation through sliding or shear coupling. Numerous experimental and numerical studies have reported a wide range of behaviors associated with…

Materials Science · Physics 2026-02-03 Brandon Runnels

This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…

Materials Science · Physics 2023-09-19 Jaekwang Kim , Nikhil Chandra Admal

We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…

Materials Science · Physics 2009-10-31 A. Kazaryan , Y. Wang , S. A. Dregia , Bruce R. Patton

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

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 dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…

Materials Science · Physics 2022-01-03 Brendon Waters , Zhi-Feng Huang

The thermodynamic theory of dislocation/grain boundary interaction, including dislocation pile-up against, absorption by, and transfer through the grain boundary, is developed for nonuniform plastic deformations in polycrystals. The case…

Materials Science · Physics 2022-03-14 Yinguang Piao , Khanh Chau Le

Recent experiments, atomistic simulations, and theoretical predictions have identified various new types of grain boundary motions that are controlled by the dynamics of underlying microstructure of line defects (dislocations or…

Materials Science · Physics 2024-11-26 Luchan Zhang , Xiaoxue Qin , Yang Xiang

In this paper, we present a continuum model for the dynamics of low angle grain boundaries in two dimensions based on the motion of constituent dislocations of the grain boundaries. The continuum model consists of an equation for the motion…

Materials Science · Physics 2018-06-13 Luchan Zhang , Yang Xiang

Nonstationary and nonlinear signals are ubiquitous in real life. Their decomposition and analysis is an important topic of research in signal processing. Recently a new technique, called Iterative Filtering, has been developed with the goal…

Numerical Analysis · Mathematics 2019-02-14 Antonio Cicone , Pietro Dell'Acqua

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

We present quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…

Mesoscale and Nanoscale Physics · Physics 2010-06-18 Baruch Feldman , Seongjun Park , Michael Haverty , Sadasivan Shankar , Scott T. Dunham