空位缺陷
材料科学
合金
三元运算
集聚经济
降水
星团(航天器)
分子动力学
Atom(片上系统)
动力学蒙特卡罗方法
热力学
沉淀硬化
化学物理
动力学
结晶学
蒙特卡罗方法
冶金
计算化学
化学工程
化学
物理
工程类
嵌入式系统
气象学
统计
量子力学
计算机科学
程序设计语言
数学
作者
María Alejandra Quiroga,C. Macchi,A. Somoza
标识
DOI:10.1103/physrevmaterials.6.033603
摘要
An approach using combined results, obtained by different experimental variants of positron annihilation spectroscopy and from kinetic Monte Carlo simulations, made it possible to determine the fundamental mechanisms by which vacancies assist solute atoms to form clusters during the earliest stages of precipitation kinetics in age-hardenable Al-Cu and Al-Cu-Mg alloys. The investigations were performed on the conventional precipitation-hardening system Al-1.74Cu (at. %) alloy aged at 293 and 342 K; these temperatures were chosen since they are low enough to avoid the formation of more stable nanostructures. To understand the influence of a minor alloying element on the solute clustering, the ternary Al-1.74Cu-0.35Mg (at. %) alloy was also studied. Interpreted in terms of the so-called vacancy pump model of solute aggregation, the results obtained made it possible to give a detailed and precise description concerning the role of the solute-vacancy exchanges in the solute clustering dynamics and the energetic stabilization of the formed clusters. It deserves to be pointed out that the results of our simulations for the ternary alloy indicate that, when aging proceeds, the solute atoms transported by vacancies progressively form Cu-Mg coclusters containing different amounts of nonmixed Cu or Mg solute atoms.
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