Computer Simulations of Phase Transitions

相变的计算机模拟

• 批准号: 9405018
• 负责人: David Landau
• 金额: $ 27.5万
• 依托单位: University of Georgia Research Foundation Inc
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-07-15 至 1998-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9405018&HistoricalAwards=false
• 关键词: Computer; Simulations; Phase; Transitions

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.

9405018该建议涉及相变的计算机模拟。 在一般的工作集中在晶格系统通过蒙特卡罗，分子动力学和自旋动力学方法。 研究的模型包括磁性材料、立方二元合金、晶体生长、吸附物和高Tc材料中的相变。 静态和动态临界现象将是主要的兴趣，特别是与参考受限的几何形状（如毛细现象）。 %这个提议考虑了凝聚态物质的相变。 它使用计算机模拟来阐明这些转变的机制和行为，因为这些转变是温度或浓度的函数。 所研究的体系有高温超导体、二元合金、磁性材料和吸附气体。 还将研究晶体生长的机制。 当系统被限制时（例如在毛细管中），这些行为如何变化特别令人感兴趣。 这些工作是我们理解许多材料行为的核心。