您的位置: 专家智库 > >

文献类型

  • 1篇中文期刊文章

领域

  • 1篇理学

主题

  • 1篇PHASE_...
  • 1篇TI
  • 1篇AB_INI...
  • 1篇HIGH_P...
  • 1篇LATTIC...
  • 1篇SELF-C...

机构

  • 1篇中国工程物理...
  • 1篇重庆师范大学
  • 1篇熊本大学

作者

  • 1篇胡翠娥
  • 1篇曾召益
  • 1篇蔡灵仓
  • 1篇刘勋
  • 1篇张伟

传媒

  • 1篇Chines...

年份

  • 1篇2015
1 条 记 录,以下是 1-1
排序方式:
High Pressure Phase Stability of Ti with Self-consistent ab initio Lattice Dynamics Approach
2015年
The traditional quasiharmonic approximation cannot predict the phase diagram of Ti accu- rately, due to the well-known soften phonon modes of the β-Ti. By means of self-consistent ab initio lattice dynamics (SCAILD) method, in which the effects of phonon-phonon in- teractions are considered, the phonon dispersion relations at finite temperature for Ti are calculated. From the phonon dispersions, we extrapolat the acoustic velocities and harmonic elastic constants. The dynamical stable regions and phase diagram of Ti are also predicted successfully. The results show that SCAILD method can be designed to work for strongly anharmonic systems where the QHA fails.
曾召益胡翠娥刘勋张伟蔡灵仓
共1页<1>
聚类工具0