Tangirala Sairam, Landau D P, Zhao Y-P
Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Jan;81(1 Pt 1):011605. doi: 10.1103/PhysRevE.81.011605. Epub 2010 Jan 19.
The morphological scaling properties of linear polymer films grown by vapor deposition polymerization are studied by 1+1D Monte Carlo simulations. The model implements the basic processes of random angle ballistic deposition (F) , free-monomer diffusion (D) and monomer adsorption along with the dynamical processes of polymer chain initiation, extension, and merger. The ratio G=D/F is found to have a strong influence on the polymer film morphology. Spatial and temporal behavior of kinetic roughening has been extensively studied using finite-length scaling and height-height correlations H(r,t). The scaling analysis has been performed within the no-overhang approximation and the scaling behaviors at local and global length scales were found to be very different. The global and local scaling exponents for morphological evolution have been evaluated for varying free-monomer diffusion by growing the films at G=10 , 10(2), 10(3), and 10(4) and fixing the deposition flux F. With an increase in G from 10 to 10(4), the average growth exponent beta approximately 0.50 was found to be invariant, whereas the global roughness exponent alpha(g) decreased from 0.87 (1) to 0.73 (1) along with a corresponding decrease in the global dynamic exponent z(g) from 1.71(1) to 1.38(2). The global scaling exponents were observed to follow the dynamic scaling hypothesis, z(g)=alpha(g)/beta. With a similar increase in G however, the average local roughness exponent alpha(l) remained close to 0.46 and the anomalous growth exponent beta(*) decreased from 0.23(4) to 0.18(8). The interfaces display anomalous scaling and multiscaling in the relevant height-height correlations. The variation in H(r,t) with deposition time t indicates nonstationary growth. A comparison has been made between the simulational findings and the experiments wherever applicable.
通过1+1维蒙特卡罗模拟研究了气相沉积聚合生长的线性聚合物薄膜的形态缩放特性。该模型实现了随机角弹道沉积(F)、自由单体扩散(D)和单体吸附的基本过程,以及聚合物链引发、延伸和合并的动力学过程。发现比率G = D/F对聚合物薄膜形态有很大影响。使用有限长度缩放和高度-高度相关性H(r,t)对动力学粗糙化的空间和时间行为进行了广泛研究。在无悬垂近似内进行了缩放分析,发现局部和全局长度尺度上的缩放行为非常不同。通过在G = 10、10²、10³和10⁴下生长薄膜并固定沉积通量F,评估了不同自由单体扩散下形态演化的全局和局部缩放指数。随着G从10增加到10⁴,发现平均生长指数β约为0.50不变,而全局粗糙度指数α(g)从0.87(1)降至0.73(()),同时全局动态指数z(g)从1.71(1)相应降至1.38(2)。观察到全局缩放指数遵循动态缩放假设,z(g)=α(g)/β。然而,随着G的类似增加,平均局部粗糙度指数α(l)保持接近0.46,异常生长指数β*从0.23(4)降至0.18(8)。界面在相关的高度-高度相关性中显示出异常缩放和多尺度缩放。H(r,t)随沉积时间t的变化表明生长是非平稳的。在适用的情况下,对模拟结果和实验进行了比较。