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首页> 美国政府科技报告 >Diffusion Mechanism in Amorphous Ni81B19 Studied by Molecular Dynamics Simulations.
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Diffusion Mechanism in Amorphous Ni81B19 Studied by Molecular Dynamics Simulations.

机译：分子动力学模拟研究非晶态Ni81B19的扩散机理。

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This thesis deals with atomic mobility and the nature of the diffusion process in metallic glasses. Metallic glasses are usually obtained by quenching a metallic, multicomponent liquid fast enough to suppress crystallization. The liquid then enters the non-equilibrium amorphous state, which lacks the long-range order of crystals. As will be shown, the diffusion process in a glass is a very complex phenomenon. Although much is known experimentally about structural relaxation diffusion, and plastic deformation, the dynamic atomic events responsible for these processes have not yet been captured in a comprehensive classification scheme, let alone in a full theory. In crystalline structures defects (including interstitial atoms, vacancies, and grain boundaries) act as vehicles for the diffusion process. Such a defect can be identified-and can survive-because of the high degree of order in a crystalline structure. In liquids, such defects are not present, but diffusion proceeds through continuous correlated motions of groups of atoms.

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