Computer Simulations of Phase Transitions

9405018这项提议涉及相变的计算机模拟。总的来说，我们的工作主要集中在通过蒙特卡罗方法、分子动力学方法和自旋动力学方法来研究晶格系统。将要研究的模型包括磁性材料的相变、立方二元合金、晶体生长、吸附和高T_c材料。静态和动态临界现象将是主要关注对象，特别是与受限几何(如毛细管)有关的现象。这个方案考虑了凝聚态中的相变。它使用计算机模拟来解释这些转变作为温度或浓度的函数时的机制和行为。要研究的体系有高温超导体、双组分合金、磁性材料和吸附气体。并对晶体生长的机理进行了探讨。当系统受到限制(例如，在毛细管中)时，这些行为是如何变化的，这是特别有趣的。这样的工作是我们理解许多物质行为的核心。

9405018 This proposal concerns computer simulations of phase transitions. In general the work focusses on lattice systems via Monte Carlo, molecular dynamics and spin dynamics methods. The models to be investigated include transitions in magnetic materials, cubic binary alloys, crystal growth, adsorbates and high Tc materials. Static and dynamic critical phenomena will be of primary interest particularly with reference to confined geometries (e.g. capillarity). %%% This proposal considers phase transitions in condensed matter. It uses computer simulation to elucidate mechanisms and behavior as these transitions are approached as a function of temperature or concentration. The systems to be studied are the high temperature superconductors, two component alloys, magnetic materials and adsorbing gases. Also the mechanisms of crystal growth will be investigated. How these behaviors change when the system is confined (as in a capillary for example) is of particular interest. Such work lies at the heart of our understanding of much materials behavior.