Theoretical and Simulational Modeling of the Growth & Deposition of Materials

将在材料合成和加工倡议下开展一项研究计划，以开发和应用新的理论和模拟模拟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，利用基于连续介质模型的理论思想以及现实的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是可能的。特别是，将开展以下项目：外延生长中的有序-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；以及多孔硅的形成模拟。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，它直接涉及许多薄膜起关键作用的材料，如腐蚀和磨损保护涂层；光学涂层；以及微电子。这项研究项目是92财年NSF材料合成和加工倡议的一部分。

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.