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介绍了一种新的EAM理论,它表述简单,而且已经成功地用于金属的氢脆、点缺陷(杂质和空位)、表面重构、合金的表面偏析和相稳定的特性的研究。模型参数通过拟合结合能、弹性常数、空位形成能等实验值来确定,并给出了晶体表面能和表面应力的计算表达式。
A new EAM theory is introduced, which is simple in expression and has been successfully used to study hydrogen embrittlement, point defects (impurities and vacancies), surface reconstruction, surface segregation and phase stability of metals. The model parameters are determined by fitting experimental values such as binding energy, elastic constants and vacancy formation energies, and the expressions of the surface energy and the surface stress of the crystal are given.