Theoretical and Simulational Modeling of the Growth & Deposition of Materials

一项研究计划将在材料合成和加工计划下进行，以开发和应用新的理论和模拟建模技术来解决材料的生长和沉积问题。随着高分辨率实验技术的发展以及我们对非平衡表面生长现象的理论理解的最新进展，有可能利用基于连续介质模型的理论思想以及现实分子动力学和蒙特卡罗模拟来更好地理解材料的生长和沉积。具体而言，将进行以下项目：外延生长的有序-无序转变；薄膜生长中的应变松弛；薄膜生长的理论模型；化学气相沉积和生长不稳定性的微观模拟；并且，模拟多孔硅的形成。将进行分析和计算建模，以了解材料在衬底上的沉积及其随后的生长。这项工作对基础凝聚态物理和材料科学都有影响。在后一类中，它直接关系到薄膜在其中起关键作用的许多材料，例如用于腐蚀和磨损保护的涂层；光学涂层;微电子学。本研究项目是FY92 NSF材料合成与加工计划的一部分。

A research program will be undertaken under the Materials Synthesis and Processing Initiative to develop and apply new theoretical and simulational modeling techniques to problems of growth and deposition of materials. With the development of high resolution experimental techniques as well as recent advances in our theoretical understanding of noneqilibrium surface growth phenomena, it is possible to develop a better understanding of the growth and deposition of materials using theoretical ideas based on continuum models as well as realistic molecular dynamics and Monte Carlo simulations. In particular, the following projects will be undertaken: order-disorder transition in epitaxial growth; strain relaxation in thin film growth; theoretical models of thin film growth; microscopic modeling of chemical vapor deposition and growth instabilities; and, modeling the formation of porous silicon. %%% Analytical and computational modeling will be done to understand the deposition of materials onto substrates and their subsequent growth. This work has an impact on fundamental condensed matter physics and on materials science. In the latter category it directly relates to many materials in which thin films play a critical role such as coatings for corrosion and wear protection; optical coatings; and, microelectronics. This reserach project is part of the FY92 NSF Materials Synthesis and Processing Initiative.