Theory and simulation of Warm Dense Matter (WDM)

温稠密物质（WDM）的理论与模拟

• 批准号: 194147-2012
• 负责人: DharmaWardana, Chandre
• 金额: $ 1.24万
• 依托单位: Université de Montréal
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=593683
• 关键词: Theory; simulation; Warm; Dense; Matter

Materials systems contain electrons and ions interacting via quantum mechanical and electrostatic forces. Their accurate simulation has become a key component of every aspect of physical theory. Nevertheless, quantum simulations are currently limited to systems containing a small number of electrons (typically about a hundred) at T=0, while density functional theory (DFT) extends this further. However, the theoretical and computational tools for finite-T quantum simulations of strongly interacting systems are not currently available. Many topics ranging from energetic laser-matter interactions, high-energy density systems, inertial fusion, to 'hot' surface science and hot-carrier electronic printing/machining fall into the class of warm dense matter (WDM). Here finite-T quantum simulations are essential. One major component of this research effort is to provide the basic tools for finite-T DFT and the interpretation of the experiments emerging from the Canadian Consortium of Warm Dense Matter (CCWDM) research.

材料系统包含通过量子力学和静电力相互作用的电子和离子。它们的精确模拟已经成为物理理论各个方面的关键组成部分。然而，量子模拟目前仅限于在T=0时包含少量电子（通常约100个）的系统，而密度泛函理论（DFT）进一步扩展了这一点。然而，强相互作用系统的有限T量子模拟的理论和计算工具目前还没有。从高能激光与物质的相互作用、高能量密度系统、惯性聚变到“热”表面科学和热载体电子印刷/加工等许多主题都属于热致密物质（WDM）的范畴。这里有限T量子模拟是必不可少的。这项研究工作的一个主要组成部分是提供有限T DFT的基本工具和解释的实验出现在加拿大的热致密物质（CCWDM）的研究。