Computer Simulations of Phase Transitions

9405018本建议涉及相变的计算机模拟。总的来说，工作集中在通过蒙特卡罗、分子动力学和自旋动力学方法研究晶格系统。研究的模型包括磁性材料的转变、立方二元合金、晶体生长、吸附剂和高Tc材料。静态和动态临界现象将是主要的兴趣，特别是与受限几何（如毛细）有关。这个建议考虑凝聚态物质中的相变。它使用计算机模拟来阐明这些转变作为温度或浓度的函数时的机制和行为。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研究。当系统受到限制（例如在毛细管中）时，这些行为如何变化是特别有趣的。这样的工作是我们理解许多材料行为的核心。

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.