对镁合金材料研发应用现状与发展趋势进行了论述,展望了镁合金研发应用的未来发展趋势.采用基于密度泛函理论的第一性原理平面波赝势法,通过选用广义梯度近似(GGA)和局域密度近似(LDA)分别计算了Al2Mg晶体的几何与电子结构,分析了其电子态密度以及电荷密度分布,研究了Al2Mg晶体的电子结构和成键特性.
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