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Molecular Dynamic Simulation of Lattice Distortion Region Produced by Rounded Grain Boundary in Nanocrystalline Materials

Xiaowei WANG , Jingyang WANG , Douxing LI , J.Rifkin

材料科学技术(英文)

The distortion structure in nanocrystalline NiAl is studied using molecular dynamics simulation. The rounded grain boundaries in these nanograins are a direct source for the observed lattice distortion. The change of grain size affects directly the volume fraction of the distorted lattice in the nanograin.

关键词: Molecular dynamic simulation , null , null

Role of Interatomic Force to Critical Resolved Shear Stress of Single Crystals

Chiwei LUNG , Jingyang WANG

材料科学技术(英文)

Experimental results of the temperature dependence of critical resolved shear stresses (CRSS) of Mo, Fe, Al and Mg single crystals are shown. Associating reports in recent years, we point out that the approximate exponential relationship between CRSS and the absolute temperature at least in the region of the steep temperature dependence range of many materials is more common, even for bcc, fcc, and hcp single crystals, polycrystals and other covalent crystals, provided that the slip plane and slip direction are kept the same. Successful explanation with atomic force law shows that the interatomic forces (electronic structure) play a decisive role in determining the temperature dependence of yield stresses for a large number of materials.

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