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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Atomic structure and physical properties of Ni-Nb amorphous alloys determined by an n-body potential
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Atomic structure and physical properties of Ni-Nb amorphous alloys determined by an n-body potential

机译：由n体势确定的Ni-Nb非晶态合金的原子结构和物理性质

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摘要

An n-body Ni-Nb potential is constructed under an embedded-atom method, which can reproduce some intrinsic properties of the alloy phases of the system. Employing the potential, a molecular-dynamics simulation is performed to derive the characteristics of the atomic structure of the Ni-Nb amorphous state, such as the pair correlation functions, structure parameters and bond angle distributions. The calculated results are compatible with those obtained from experiments and other simulations. In addition, the cohesive energy, the molar volume and the heat of formation of Ni-Nb amorphous alloys were also computed, and an apparent dependence of those physical properties on the alloy compositions were observed. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 25]
机译：在嵌入原子方法下构造n体Ni-Nb势，该势可重现系统合金相的某些固有特性。利用该势能，进行分子动力学模拟以得出Ni-Nb非晶态原子结构的特征，例如，对相关函数，结构参数和键角分布。计算结果与从实验和其他模拟获得的结果兼容。另外，还计算出Ni-Nb非晶态合金的内聚能，摩尔体积和形成热，并且观察到这些物理性质对合金组成的明显依赖性。 （C）2000 Elsevier Science B.V.保留所有权利。 [参考：25]

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