Lebovka Nikolai I, Tarasevich Yuri Yu, Dubinin Dmitri O, Laptev Valeri V, Vygornitskii Nikolai V
Institute of Biocolloidal Chemistry named after F.D. Ovcharenko, NAS of Ukraine, Kiev, Ukraine and Taras Shevchenko Kiev National University, Department of Physics, Kiev, Ukraine.
Astrakhan State University, Astrakhan, Russia.
Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Dec;92(6):062116. doi: 10.1103/PhysRevE.92.062116. Epub 2015 Dec 9.
The jamming and percolation for two generalized models of random sequential adsorption (RSA) of linear k-mers (particles occupying k adjacent sites) on a square lattice are studied by means of Monte Carlo simulation. The classical RSA model assumes the absence of overlapping of the new incoming particle with the previously deposited ones. The first model is a generalized variant of the RSA model for both k-mers and a lattice with defects. Some of the occupying k adjacent sites are considered as insulating and some of the lattice sites are occupied by defects (impurities). For this model even a small concentration of defects can inhibit percolation for relatively long k-mers. The second model is the cooperative sequential adsorption one where, for each new k-mer, only a restricted number of lateral contacts z with previously deposited k-mers is allowed. Deposition occurs in the case when z≤(1-d)z(m) where z(m)=2(k+1) is the maximum numbers of the contacts of k-mer, and d is the fraction of forbidden contacts. Percolation is observed only at some interval k(min)≤k≤k(max) where the values k(min) and k(max) depend upon the fraction of forbidden contacts d. The value k(max) decreases as d increases. A logarithmic dependence of the type log(10)(k(max))=a+bd, where a=4.04±0.22,b=-4.93±0.57, is obtained.
通过蒙特卡罗模拟研究了线性k聚体（占据k个相邻位点的粒子）在正方形晶格上的两种随机顺序吸附（RSA）广义模型的阻塞和逾渗现象。经典的RSA模型假定新进入的粒子与先前沉积的粒子不重叠。第一个模型是针对k聚体和有缺陷晶格的RSA模型的广义变体。一些占据的k个相邻位点被视为绝缘的，并且一些晶格位点被缺陷（杂质）占据。对于该模型，即使是低浓度的缺陷也能抑制相对长的k聚体的逾渗。第二个模型是协同顺序吸附模型，对于每个新的k聚体，仅允许与先前沉积的k聚体有有限数量的横向接触z。当z≤(1 - d)z(m)时发生沉积，其中z(m)=2(k + 1)是k聚体的最大接触数，d是禁止接触的比例。仅在某个区间k(min)≤k≤k(max)观察到逾渗，其中k(min)和k(max)的值取决于禁止接触的比例d。k(max)的值随着d的增加而减小。得到了log(10)(k(max)) = a + bd类型的对数依赖关系，其中a = 4.04±0.22，b = -4.93±0.57。
