Molecular Geometry Operating System:A Novel Tool for Modeling High-pressure Materials

来源 :第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna | 被引量 : 0次 | 上传用户:xtchen
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
  The geometry of atomic arrangement underpins the structural understanding in many fields.In biology,the structure of biomolecules determines their function.
其他文献
2205 duplex stainless steel(DSS),consisting of ferritic and austenitic phases,is widely used as a structural material.Shock-induced phase transition dynamics of the ferrite component in this “composit
会议
Pressure induced structural evolution offers fundamental insights into the energetic and kinetic mechanisms that determine phase stability and transition.
会议
We investigate deformation and damage of a Zr-based bulk metallic glass(BMG)and its Ta particlereinforced composite(MGMC)under impact loading,as well as quasi-static tension for comparison.
会议
Xenon difluoride is the first and the most stable of hundreds of noble-gas(Ng)compounds.These compounds reveal the rich chemistry of Ngs.
会议
MgSiO3 post-perovskite(ppv)is the final form of MgSiO3 in the Earth.However,what happens in super-Earths in which pressure and temperature are much higher than those of the Earths lower mantle?
会议
Carbonates are one of the most abundant mineral on the Earths surface,which play a key role in the chemistry and dynamics for many geological processes,and may be transferred into the deep mantle inte
会议
High pressure is know to modify profoundly the chemical bondings of the structures and induces new phasc structures of materials.
会议
The CaFe2O4-type structure was believed as the high-pressure form of many spinels at the pressure and temperature conditions corresponding to the mantle transition zone and upper border of the lower m
会议
Garnets are volumetrically the dominant phase in the upper mantle and transition zone.Natural garnets always exhibit extensive and complex solid solution behavior.Due to the difference in the ion radi
会议
This report systematically investigated the high-pressure behavior for natural pyrite by virtue of the impedance spectroscopy,Raman spectroscopy at temperatures range from 298 K to 573 K and pressures
会议