Polycrystalline graphene: Atomic structure, energetics and transport properties
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We present an atomistic study of the plastic deformation mechanisms occurring in columnar structures of nanocrystalline Ni, with particular emphasis on the process of dislocation emission form the grain boundaries. The samples are constructed with grain bo ...
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The effect of the bulk microstructure (grain size distribution, grain boundary composition on the oxygen transport properties of La0.5Sr0.5FeO3membranes was investigated. For this purpose, samples with different microstruct ...
Molecular dynamics is used to examine the deformation and failure of Al-Si interfaces and of nanocomposites consisting of Al and Si nanograins loaded in tension. The modified embedded atom method, is used to describe the forces and energies in the system a ...
Nanocrystalline metals have been an area of great interest in recent years due to their enhanced characteristics. One of the most striking is implied by the Hall-Petch relation: with decreasing grain size the material becomes stronger. This promise is fulf ...
The effect of the bulk microstructure (grain size distribution, grain boundary length) on the oxygen transport properties of permeation membranes is investigated in this work. For this purpose, La0.5Sr0.5FeO3-? samples with different microstructures have b ...
Procedures for synthesizing digital polycrystalline microstructures are illustrated, from either 2D statistical data or 3D deterministic data. Finite element meshes representing the digital microstructures are generated using anisotropic and adaptive mesh ...
The interaction of dislocations with grain boundaries (GBs) determines a number of important aspects of the mechanical performance of materials, including strengthening and fatigue resistance. Here, the coupled atomistic/discretedislocation ( CADD) multisc ...
Materials consisting of grains or crystallites with sizes below a hundred nanometers have exhibited unique physical and mechanical properties in comparison to their coarse-grained counterparts. As a result, considerable effort has been put into uncovering ...
