首页> 外文期刊>Металлофизика и новейшие технологии: Науч.-теорет. журн. >Application of the Hard-Spheres' Model for Determination of the Energy Characteristics of Point Defects in Alloys with Antiphase Boundaries
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Application of the Hard-Spheres' Model for Determination of the Energy Characteristics of Point Defects in Alloys with Antiphase Boundaries

机译:硬球模型在抗磷血界界面缺陷测定中的应用

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摘要

The method of calculation of formation energies (and characteristics connected with them) for the substitution point defects and vacancies is worked out within the framework of hard-spheres' model. By introducing into consideration the filling numbers for the (HKL)-orientation crystalline planes by different sites of a superlattice, rather simple expressions for the energies of above-mentioned defects' formation are obtained. It is shown that, on average, the attraction of a vacancy to the antiphase boundary takes place. As an example, the numerical calculation is demonstrated for the Fe_3Al alloy with DO_3 superstructure.
机译:计算替代点缺陷和空缺的形成能量(和与它们相连的特性)的计算方法在硬球模型的框架内工作。 通过考虑到(HKL)-Oorientation结晶平面的填充数,通过超晶格的不同部位,相当简单的表达式用于上述缺陷的形成。 结果表明,平均而言,对抗磷血界边界的空位的吸引力发生。 作为示例,使用DO_3上部结构的FE_3AL合金证明了数值计算。

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