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薄膜生长与聚合模型中表面粗糙度和聚合物结构的标度

Scaling of surface roughness and polymer structure in a model for film growth and polymerization.

作者信息

Euzébio Jônatas A R, Aarão Reis F D A

机构信息

Instituto de Física, Universidade Federal Fluminense, Niterói 24210-340, RJ, Brazil.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Aug;80(2 Pt 1):021605. doi: 10.1103/PhysRevE.80.021605. Epub 2009 Aug 19.

Abstract

We study a model of growth of polymer films using numerical simulations and scaling concepts. During the deposition, each new monomer flows in a direction perpendicular to the substrate, aggregates at the first contact with the deposit and executes up to G steps along the polymers, propagating an existing chain or nucleating of a new polymer. Some qualitative results agree with those of a previous model for vapor deposition polymerization (VDP) with collective diffusion, such as the roughness increase and density decrease with G . This supports the interpretation of G as a ratio between diffusion coefficient and monomer flux. We perform a systematic study of scaling properties of the outer surface roughness and of polymer size and shape. For large G , the polymers are stretched in the direction perpendicular to the substrate and have typical size increasing as G(1/2). This is explained by the solution of the problem of random walk trapping, which illustrates the connection of surface processes and bulk properties. The distributions of polymer sizes are monotonically decreasing for all G and very broad, thus a large number of small chains and of chains much larger than the average is found in typical samples. The outer surface roughness obeys Kardar-Parisi-Zhang scaling, in contrast to the apparent anomalous scaling of previous VDP models with oblique monomer flux. However, the calculation of reliable exponents requires accounting for huge finite-size corrections. Possible applications and extensions of this model are discussed.

摘要

我们使用数值模拟和标度概念研究了聚合物薄膜的生长模型。在沉积过程中,每个新单体沿垂直于基底的方向流动,在首次与沉积物接触时聚集,并沿着聚合物执行多达G步,从而延长现有链或引发新聚合物的成核。一些定性结果与先前具有集体扩散的气相沉积聚合(VDP)模型的结果一致,例如粗糙度随G增加而增加,密度随G增加而降低。这支持将G解释为扩散系数与单体通量之比。我们对外表面粗糙度以及聚合物尺寸和形状的标度性质进行了系统研究。对于较大的G,聚合物在垂直于基底的方向上被拉伸,并且典型尺寸随G^(1/2)增加。这可以通过随机游走捕获问题的解来解释,该解说明了表面过程与体相性质之间的联系。对于所有G,聚合物尺寸的分布单调递减且非常宽泛,因此在典型样品中会发现大量小链以及比平均尺寸大得多的链。外表面粗糙度服从Kardar-Parisi-Zhang标度,这与先前具有倾斜单体通量的VDP模型明显的反常标度相反。然而,计算可靠的指数需要考虑巨大的有限尺寸修正。讨论了该模型可能的应用和扩展。

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