论文标题

在刚性线性$ k $ -mers的随机顺序吸附中的域形成的表征

Characterization of domain formation during random sequential adsorption of stiff linear $k$-mers onto a square lattice

论文作者

Ulyanov, Mikhail V., Tarasevich, Yuri Yu., Eserkepov, Andrei V., Grigorieva, Irina V.

论文摘要

使用计算机模拟,我们研究了硬线性$ k $ -mers的随机顺序吸附到平方晶格上。每个这样的粒子都占据$ k $附近的晶格位点。在沉积过程中,颗粒的两个相互垂直方向是均衡的,因此形成了宏观各向同性单层。但是,该单层是局部各向异性的,因为沉积的颗粒倾向于形成具有相同方向的颗粒域。使用“排除区域”概念,我们将晶格位点分为几种类型,并检查了每种类型的晶格位点的分数如何随着沉积颗粒数量的增加而变化。这些数量的行为使我们能够确定域形成的以下阶段(i)域种子的出现; (ii)域的填充; (iii)域的致密化。

Using computer simulation, we have studied the random sequential adsorption of stiff linear $k$-mers onto a square lattice. Each such particle occupies $k$ adjacent lattice sites. During deposition, the two mutually perpendicular orientations of the particles are equiprobable, hence, a macroscopically isotropic monolayer is formed. However, this monolayer is locally anisotropic, since the deposited particles tend to form domains of particles with the same orientation. Using the "excluded area" concept, we have classified lattice sites into several types and examined how the fraction of each type of lattice site varies as the number of deposited particles increases. The behaviors of these quantities have allowed us to identify the following stages of domain formation (i) the emergence of domain seeds; (ii) the filling of domains; (iii) densification of the domains.

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