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A simple kinetic parameter indicating the origin of the relaxations induced by point(-like) defects in metallic crystals and glasses
Journal of Physics: Condensed Matter ( IF 2.3 ) Pub Date : 2020-09-10 , DOI: 10.1088/1361-648x/abaf93
A S Makarov 1 , R A Konchakov , Yu P Mitrofanov , M A Kretova , N P Kobelev , V A Khonik
Affiliation  

Computer simulation shows that an increase of the volume V due to point defects in a simple metallic crystal (Al) and high entropy alloy (Fe20Ni20Cr20Co20Cu20) leads to a linear decrease of the shear modulus G. This diaelastic effect can be characterized by a single dimensionless parameter K = dln G/dln V. For dumbbell interstitials in single crystals K ≈ -30 while for vacancies the absolute K-value is smaller by an order of magnitude. In the polycrystalline state, K ≈ -20 but its the absolute value remains anyway 5-6 times larger than that for vacancies. The physical origin of this difference comes from the fact that dumbbell interstitials constitute elastic dipoles with highly mobile atoms in their nuclei and that is why produce much larger shear softening compared to vacancies. For simulated Al and high entropy alloy in the glassy state, K equals to -18 and -12, respectively. By the absolute magnitude, these values are by several times larger compared to the case of vacancies in the polycrystalline state of these materials. An analysis of the experimental data on isothermal relaxations of G as a function of V for six Zr-based metallic glasses tested at different temperatures shows that K is time independent and equals to ≈-43, similar to interstitials in single-crystals. It is concluded that K constitutes a important simple kinetic parameter indicating the origin of relaxations induced by point(-like) defects in the crystalline and glassy states.

中文翻译:

一个简单的动力学参数,表明金属晶体和玻璃中点(类)缺陷引起的弛豫起源

计算机模拟表明,由于简单金属晶体 (Al) 和高熵合金 (Fe20Ni20Cr20Co20Cu20) 中的点缺陷,体积 V 的增加导致剪切模量 G 的线性下降。参数 K = dln G/dln V。对于单晶中的哑铃间隙 K ≈ -30 而对于空位,绝对 K 值小一个数量级。在多晶状态下,K ≈ -20 但它的绝对值仍然是空位的 5-6 倍。这种差异的物理起源来自这样一个事实,即哑铃间隙构成弹性偶极子,原子核中具有高度移动的原子,这就是为什么与空位相比产生更大的剪切软化。对于玻璃态的模拟铝和高熵合金,K 分别等于 -18 和 -12。就绝对数量而言,这些值比这些材料多晶状态的空位情况大几倍。对在不同温度下测试的六种 Zr 基金属玻璃的 G 等温弛豫作为 V 函数的实验数据的分析表明,K 与时间无关,等于 ≈-43,类似于单晶中的间隙。得出的结论是,K 构成了一个重要的简单动力学参数,表明由晶态和玻璃态中的点(类)缺陷引起的弛豫起源。对在不同温度下测试的六种 Zr 基金属玻璃的 G 等温弛豫作为 V 函数的实验数据的分析表明,K 与时间无关,等于 ≈-43,类似于单晶中的间隙。得出的结论是,K 构成了一个重要的简单动力学参数,表明由晶态和玻璃态中的点(类)缺陷引起的弛豫起源。对在不同温度下测试的六种 Zr 基金属玻璃的 G 等温弛豫作为 V 函数的实验数据的分析表明,K 与时间无关,等于 ≈-43,类似于单晶中的间隙。得出的结论是,K 构成了一个重要的简单动力学参数,表明由晶态和玻璃态中的点(类)缺陷引起的弛豫起源。
更新日期:2020-09-10
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