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键无序对二元混合物相分离动力学的影响:蒙特卡罗模拟研究。

Effect of bond-disorder on the phase-separation kinetics of binary mixtures: A Monte Carlo simulation study.

机构信息

Department of Physics, Institute of Chemical Technology, Mumbai 400019, India.

School of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi 110067, India.

出版信息

J Chem Phys. 2017 Sep 28;147(12):124902. doi: 10.1063/1.5004563.

DOI:10.1063/1.5004563
PMID:28964037
Abstract

We present Monte Carlo (MC) simulation studies of phase separation in binary (AB) mixtures with bond-disorder that is introduced in two different ways: (i) at randomly selected lattice sites and (ii) at regularly selected sites. The Ising model with spin exchange (Kawasaki) dynamics represents the segregation kinetics in conserved binary mixtures. We find that the dynamical scaling changes significantly by varying the number of disordered sites in the case where bond-disorder is introduced at the randomly selected sites. On the other hand, when we introduce the bond-disorder in a regular fashion, the system follows the dynamical scaling for the modest number of disordered sites. For a higher number of disordered sites, the evolution morphology illustrates a lamellar pattern formation. Our MC results are consistent with the Lifshitz-Slyozov power-law growth in all the cases.

摘要

我们提出了在具有键无序的二元(AB)混合物中进行相分离的蒙特卡罗(MC)模拟研究,这些键无序是通过两种不同的方式引入的:(i)在随机选择的晶格位置上,以及(ii)在规则选择的位置上。具有自旋交换(Kawasaki)动力学的伊辛模型代表了守恒二元混合物中的分相动力学。我们发现,通过改变在随机选择的位置上引入无序的位置数量,动力学标度发生了显著变化。另一方面,当我们以规则的方式引入键无序时,系统遵循对于少量无序位置的动力学标度。对于更多数量的无序位置,演化形态说明了层状图案的形成。我们的 MC 结果与所有情况下的 Lifshitz-Slyozov 幂律增长一致。

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