Problems in Statistical Mechanics

教授托马斯凯斯是由赠款的支持， 理论和计算化学课程执行 液态动力学的理论研究。凯斯已经 开发了一种新的技术来进行动力学研究， 液体状态取决于简谐简正模 分析. 这种新方法已被应用于过冷 现有的动力学理论已经证明， 成功，它能够产生一个Arhhenius激活 能量自扩散。 该技术将被开发 进一步处理其他几个动力学量，包括 旋转扩散，光谱线宽，和 确定协同重排的区域。 一 将要学习的第二个主题是计算机 激光烧蚀硅和金刚石的模拟。 这些 消融模拟将导致更详细的图片， 这些材料中的能量再分配， 热和非热激光作用的机制。 %%% 这个项目的重点是运动的动力学在 液态 这项研究对 控制化学反应的动力学因素 液态或溶液中。

Professor Thomas Keyes is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies on liquid state dynamics. Keyes has developed a new technique for performing dynamical studies of the liquid state which depends on harmonic normal mode analysis. This new methodology has been applied to supercooled liquids where existing dynamical theories have shown limited success, and it is capable of yielding an Arhhenius activation energy for self diffusion. The technique will be developed further to treat several other dynamical quantities including rotational diffusion, spectral linewidths, and the identification of the region of cooperative rearrangement. A secondary topic which will be studied is the computer simulation of laser ablation of silicon and diamond. These ablation simulations will lead to a more detailed picture of the energy redistribution within these materials, and the mechanism for thermal and nonthermal laser action. %%% The focus of this project is the dynamics of motion in the liquid state. The research has an important bearing on the dynamical factors which control chemical reactions in the liquid state or in solutions.