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中文摘要：
应用改进分析型嵌入原子法（Modified Analytical Embedded—Atom Method，MAEAM），计算了密排六方（Hexagonal Closed—Packed，HCP）金属（c／α〈1．633）单空位形成能以及双空位与三空位的形成能与结合能．空位形成能的最小值或结合能的最大值均表明，双空位稳定结构是第一近邻[1n]、第二近邻[2以]或第三近邻[3以]；三空位稳定结构是三空位组成两个第一近邻和一个第二近邻[112]、一个第一近邻和一个第二近邻以及一个第三近邻[123]或三个第二近邻[222]．这说明在密排六方金属（c／α〈1．633）中存在空位聚集趋势．
英文摘要：
The formation energy of the mono-vacancy and both the formation energy and binding energy of the di-vacancy and tri-vacancy in HCP metals are calculated by using the Modified Analytical Embedded-Atom Method （MAEAM）. It is seen from the minimum of the formation energy or maximum of the binding energy, the favorable configuration of the di-vacancy is the first-nearestneighbor [1n], the second-nearest-neighbor [2n] or the third-nearest-neighbor [3n ], and that of the tri-vacancy is the [ 112] constructed by two first-nearest-neighbor vacancies and one second-nearestneighbor, the [ 123 ] constructed by one first-nearest-neighbor and one second-nearest-neighbor and one third-nearest-neighbor or the [ 222] constructed by three second-nearest-neighbors. It is indicated that there is a concentration tendency for vacancies in HCP metals.
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