首页> 外文OA文献 >The Classical-Map Hyper-Netted-Chain (CHNC) method and associated novel density-functional methods for Warm Dense Matter
【2h】

The Classical-Map Hyper-Netted-Chain (CHNC) method and associated novel density-functional methods for Warm Dense Matter

机译:经典地图超网状链(CHNC)方法和相关的小说   温暖物质的密度泛函方法

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

The advent of short-pulse lasers, nanotechnology, as well as shock-wavetechniques have created new states of matter (e.g., warm dense matter) thatcall for new theoretical tools. Ion correlations, electron correlations as wellas bound states, continuum states, partial degeneracies and quasi-equilibriumsystems need to be addressed. Bogoliubov's ideas of timescales can be used todiscuss the quasi-thermodynamics of non-equilibrium systems. A rigorousapproach to the associated many-body problem turns out to be the computation ofthe underlying pair-distribution functions g_ee, g_ei and g_ii, that directlyyield non-local exchange-correlation potentials, free energies etc., validwithin the timescales of each evolving system. An accurate classical map of thestrongly-quantum uniform electron-gas problem given by Dharma-wardana andPerrot is reviewed. This replaces the quantum electrons at T=0 by an equivalentclassical fluid at a finite temperature T_q, and having the same correlationenergy. It has been shown, but not proven, that the classical fluid g_ij areexcellent approximations to the quantum g_ij. The classical map is used withclassical molecular dynamics (CMMD) or hyper-netted-chain integral equations(CHNC) to determine the pair-distribution functions (PDFs), and hence theirthermodynamic and linear transport properties. The CHNC is very efficient forcalculating the PDFs of uniform systems, while CMMD is more adapted tonon-uniform systems. Applications to 2D and 3D quantum fluids, Simetal-oxide-field-effect transistors, Al plasmas, shock-compressed deuterium,two-temperature plasmas, pseudopotentials, as well as calculations forparabolic quantum dots are reviewed.
机译:短脉冲激光,纳米技术以及冲击波技术的出现创造了新的物质状态(例如,热致密物质),需要新的理论工具。离子相关性,电子相关性以及束缚态,连续态,部分简并和准平衡系统都需要解决。 Bogoliubov的时标思想可用于讨论非平衡系统的准热力学。事实证明,对相关的多体问题的严格方法是计算潜在的成对分布函数g_ee,g_ei和g_ii,它们直接产生在每个演化系统的时间尺度内有效的非局部交换相关势,自由能等。回顾了Dharma-wardana和Perrot给出的强量子均匀电子-气体问题的精确经典图。这在有限的温度T_q下用等效的经典流体代替了T = 0时的量子电子,并且具有相同的相关能。已经证明,但没有证明经典流体g_ij是量子g_ij的极好的近似值。经典图与经典分子动力学(CMMD)或超网链积分方程(CHNC)一起使用,以确定对分布函数(PDFs),从而确定它们的热力学和线性传输性质。 CHNC对于统一系统的PDF计算非常有效,而CMMD更适合非统一系统。综述了在2D和3D量子流体,Simetal氧化物场效应晶体管,Al等离子体,冲击压缩的氘,双温等离子体,伪电势以及抛物线量子点的计算中的应用。

著录项

  • 作者

    Dharma-wardana, M. W. C.;

  • 作者单位
  • 年度 2011
  • 总页数
  • 原文格式 PDF
  • 正文语种 {"code":"en","name":"English","id":9}
  • 中图分类

相似文献

  • 外文文献
  • 中文文献
  • 专利

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号