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We present a general phase-field model for grain-boundary grooving and agglomeration of polycrystalline alloy thin films. In particular, we study the effects of slow-diffusing species on grooving rate. As the groove grows, the slow species…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Dongzhi Chi , David J. Srolovitz

Using a phase-field model, we study the surface diffusion-controlled grooving of a moving grain boundary under the influence of an external magnetic field in thin films of a nonmagnetic material. The driving force for the grain boundary…

Mesoscale and Nanoscale Physics · Physics 2024-08-27 Soumya Bandyopadhyay , Somnath Bhowmick , Rajdip Mukherjee

Germanosilicide thin films are quite different from silicides and germanides. The germanium composition is not homogeneous, grains have a different shape, and the substrate is generally strained. This affects grain boundary grooving and…

Materials Science · Physics 2007-05-23 Mathieu Bouville

Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Shenyang Hu , Long-Qing Chen , Dongzhi Chi , David J Srolovitz

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

Segregation-induced structural transitions in metallic grain boundaries are studied with hybrid atomistic Monte Carlo/molecular dynamics simulations using Cu-Zr as a model system, with a specific emphasis on understanding the effect of…

Materials Science · Physics 2016-04-27 Zhiliang Pan , Timothy J. Rupert

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistent structural materials. However, a proper understanding of the connection between the radiation-induced…

Materials Science · Physics 2018-07-04 Yichao Zhu , Jing Luo , Xu Guo , Yang Xiang , Stephen Jonathan Chapman

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

The ability of amorphous intergranular films to mitigate damage formation at grain boundaries is studied with molecular dynamics simulations. We find that such films can alter both crack nucleation and crack growth rates by efficiently…

Materials Science · Physics 2015-01-22 Zhiliang Pan , Timothy J. Rupert

With simulation and experiment we examine the effect of grain anisotropy on the angle of repose in a two-dimensional geometry. We find that the structure of the granular packing can be directly controlled by changing the aspect ratio of the…

Disordered Systems and Neural Networks · Physics 2009-10-31 C. J. Olson , C. Reichhardt , M. McCloskey , R. J. Zieve

External magnetic fields influence the microstructure of polycrystalline materials. We explore the influence of strong external magnetic fields on the long time scaling of grain size during coarsening in thin films with an extended…

Materials Science · Physics 2020-03-04 Rainer Backofen , Axel Voigt

Grain boundaries (GBs), an important constituent of polycrystalline materials, have a wide range of manifestion and significantly affect the properties of materials. Fully understanding the effects of GBs is stalemated due to lack of…

Materials Science · Physics 2021-03-19 Cheng-yan Liu , Zhi-ming Li , Xin-gao Gong

Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play a crucial role in determining the grain structure and defining the…

Materials Science · Physics 2021-07-07 Katayun Barmak , Anastasia Dunca , Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…

Materials Science · Physics 2013-05-23 E. S. Thomson , Hendrik Hansen-Goos , L. A. Wilen , J. S. Wettlaufer

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…

The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…

Materials Science · Physics 2009-11-13 Paolo Moretti , Lasse Laurson , Mikko J. Alava

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

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

The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…

Materials Science · Physics 2019-03-25 S. E. Krasavin , V. A. Osipov

It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the…

Materials Science · Physics 2018-02-23 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King
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