Numerical Simulations of Nematic Liquid Crystals

9528092佩尔科维茨这是一项最初由真实材料计算方法(CARM)计划资助的赠款的续订提案。这项工作涉及到用大规模的计算来研究向列相液晶的平衡和非平衡性质。以前开发的(在CARM下)序列和并行分子动力学(使用Gay-Berne势)程序将分别在工作站和大规模并行机器上运行。具体目标包括快速淬火后向列相的动力学，特别强调拓扑缺陷的行为和向列相对电场的响应。液晶用于平板显示器以及电子和光子设备。目前的资助是利用大规模计算来研究向列相液晶的微观分子性质与材料响应之间的关系。这项工作遵循了由CAM拨款支持的分子动力学代码的早期开发。本工作将有助于阐明向列相的微观性质与其对快速冷却和外加电场的宏观响应之间的关系。***

9528092 Pelcovits This is a renewal proposal of a grant that was originally funded under the program Computational Approaches to Real Materials (CARM). The work involves a study of the equilibrium and nonequilibrium properties of the nematic liquid crystals using large scale computation. Previously developed (under CARM) sequential and parallel molecular dynamics (using Gay-Berne potentials) codes will be run on workstations and massively parallel machines respectively. The specific objectives include the dynamics of nematics after rapid quenches, with special emphasis on the behavior of topological defects and the response of nematics to electric fields. %%% Liquid crystals are used in flat panel displays and electronic and photonic devices. The present grant is to study, using large scale computation, the relationship between the microscopic molecular properties and the material response of the nematic liquid crystals. The work follows the earlier development of the molecular dynamics codes supported by a CARM grant. The present work will help elucidate the relationship between the microscopic properties of nematics and their macroscopic response to rapid cooling and to applied electric fields. ***