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Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

Grains are widely assumed to be characterized by a single temperature -- derived either from the configurational entropy, or employing the kinetic theory. Yet granular media do have two temperatures, $T_g$ and $T$, pertaining to the grains…

Soft Condensed Matter · Physics 2022-08-23 Mario Liu

Pb(Mg1/3Nb2/3)O3-PbTiO3 solid solution (PMN(1-x)-PTx) ceramics with 0 <x<1 have been prepared by homo-epitaxial templated grain growth (HTGG) using cubic PMN-PT single crystal seeds as templates and nanoparticles for thes ceramic matrix.…

Materials Science · Physics 2007-05-23 Mai Thi Pham , Gregory March , Philippe Colomban

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

A threshold dynamics model of grain growth that accounts for the anisotropy in the grain boundary energy has been used to simulate experimentally observed grain growth of polycrystalline Ni. The simulation reproduces several aspects of the…

Polycrystalline materials can be viewed as composites of crystalline particles or grains separated from one another by thin amorphous grain boundary (GB) regions. While GB have been exhaustively investigated at low temperatures, where these…

Materials Science · Physics 2015-05-13 Hao Zhang , David J. Srolovitz , Jack F. Douglas* , James A. Warren

Stagnation of grain growth is often attributed to impurity segregation. Yttria-stabilized cubic zirconia does not evidence any segregation-induced slowdown, as its grain growth obeys the parabolic law when the grain size increases by more…

Materials Science · Physics 2020-05-18 Yanhao Dong , I-Wei Chen

Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…

Materials Science · Physics 2015-07-01 Timofey Frolov , Mark Asta , Yuri Mishin

Understanding grain-boundary mobility during spark plasma sintering can enable microstructure control in high-entropy carbides, yet quantitative grain-growth kinetics remain scarce. In this work, grain growth kinetics and densification…

Aims: Grain growth has been suggested as one possible explanation for the diminished dust optical depths in the inner regions of protoplanetary "transition" disks. In this work, we directly test this hypothesis in the context of current…

Solar and Stellar Astrophysics · Physics 2012-06-28 T. Birnstiel , S. M. Andrews , B. Ercolano

We show that the growth rate of dust grains in cold molecular clouds is enhanced by the high degree of compressibility of a turbulent, dilute gas. By means of high resolution (10243) numerical simulations, we confirm the theory that the…

Astrophysics of Galaxies · Physics 2020-11-18 Xiang-Yu Li , Lars Mattsson

An elementary model is developed for grain growth during the expansion stage of nova ejecta. Rather than suppressing grain formation, we argue that agglomeration of atoms by dust nuclei proceeds kinetically through induced dipole reactions…

Astrophysics · Physics 2009-11-10 Steven N. Shore , R. D. Gehrz

Nonequilibrium thermodynamics formalism is proposed to derive the flux of grainy (bubbles-containing) matter, emerging in a nucleation growth process. Some power and non-power limits, due to the applied potential as well as owing to basic…

Soft Condensed Matter · Physics 2009-11-10 J. M. Rubi , A. Gadomski

The movement of grain boundaries in pure metals and alloys with a low concentration of dislocations has been historically proved to follow curvature flow behavior. This mechanism is typically known as grain growth (GG). However, recent 3D…

Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…

This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…

Materials Science · Physics 2019-04-25 Y. Mishin

In established theories of grain coarsening, grains disappear either by shrinking or by rotating as a rigid object to coalesce with an adjacent grain. Here we report a third mechanism for grain coarsening, in which a grain splits apart into…

During grain growth in multiphase system, a convincing understanding on how the evolution kinetics of an individual phase-grains relates to the growth rate of entire microstructure is yet to be achieved. Therefore, in this work, comfortably…

Materials Science · Physics 2021-08-06 P G Kubendran Amos , Ramanathan Perumal , Arnd Koeppe , Britta Nestler

Grain segregation occurs under various conditions, such as vibration, shear and mixing. In the gravity-driven shear flow, size segregation is triggered by the percolation of small particles through the opened voids (kinetic sieving), and…

Adaptation and Self-Organizing Systems · Physics 2016-05-26 Lu Jing , C. Y. Kwok , Y. F. Leung

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…