利用分子动力学模拟方法对Zr-Cu-Ti合金系统进行了晶态-非晶态反应相变研究.通过构建以hcp Zr为基体、Cu和Ti为溶质的固溶体模型及多层膜模型,利用分子动力学模拟其晶态-非晶态反应过程.通过对模拟结果进行分析,得到了Zr基合金获得非晶态合金的临界固溶度,同时获得了Zr-Cu-Ti合金系统非晶化的相变机理及反应细节.
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