Temperature dependence of Al elastic constants from first principles

来源 :第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) | 被引量 : 0次 | 上传用户:yiquanzou
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
其他文献
  Nicotinic acetylcholine receptors(nAChR)are ligand-gated ion channels that are involved in fast synaptic transmission and mediated physiological activities
会议
α-Ti合金在航空航天领域有着十分广泛的应用.本文应用平面波赝势方法结合SQS超原胞模型以及EMTO结合相干近似(CPA)计算了α-Ti合金的广义层错能.纯钛的广义层错能计算结果显
  在自研发粘结炸药PBX材料粗粒化力场的基础上,使用大尺度分子动力学开源程序LAMMPS和多尺度材料模拟软件Materials Studio,自主开发功能模块和专用接口程序实现了PBX材料
会议
  A density functional theory(DFT)method was used to study the adsorption of Hg0 on activated carbon supported Pdn(n
会议
会议
  Antibody-based sensors are the most widely used for screening antibiotic residues in food samples.However,these sensors always suffer from cross-reacting an
会议
  Gold is mainly in the form of Au(CN)2-during the cyanide leaching process,the Au(CN)2-complex could be adsorbed by graphite resulting in the loss of gold.In
会议
  Fully atomistic molecular dynamics(MD)simulations are employed to study the swelling behavior of poly(methyl methacrylate-co-n-butyl methacrylate)(P(MMA-co-
会议
  在钛合金多相组织中,ω-Ti作为析出相可以有效地提高β-Ti合金的强度,但同时使其塑性降低,其中ω相的形态和分布是主要影响因素。根据以往的研究结果,ω在β-Ti基体中常呈椭
  Various bioactive peptides are continuously being identified from casein hydrolysates.In this work,a novel angiotensin I-converting enzyme(ACE)-inhibitory(A
会议