High pressure investigations on hydrous magnesium silicate-phase A using first principles calculations: H---H repulsion and changes in hydrogen bond geometry with compression

Author： Poswal H. K.   Sharma Surinder   Sikka S. K.  

Publisher： Taylor & Francis Ltd

ISSN： 0895-7959

Source： International Journal of High Pressure Research, Vol.29, Iss.3, 2009-09, pp. : 405-413

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Crystal structure and chemical bonding of the high-pressure phase of MgAl 2 O 4 from first-principles calculations

By Fang C. M.   De With G.  

Philosophical Magazine. A. Physics of Condensed Matter. Defects and Mechanical Properties, Vol. 82, Iss. 15, 2002-10 ,pp. : 2885-2894

Taylor & Francis Ltd

Access to resources Recommend Favorite

Effect of iron on high pressure elasticity of hydrous wadsleyite and ringwoodite by first-principles simulation

By Tian Liyun   Zhao Jijun   Liu Wei   Liu Lei   Liu Hong   Du Jianguo  

International Journal of High Pressure Research, Vol. 32, Iss. 3, 2012-09 ,pp. : 385-395

Taylor & Francis Ltd

Access to resources Recommend Favorite

High-pressure phases of MgSiN2 from first-principles calculations

By Fang C.M.   Hintzen H.T.   de With G.  

Applied Physics A, Vol. 78, Iss. 5, 2004-03 ,pp. : 717-719

Springer Publishing Company

Access to resources Recommend Favorite

Hydrogen Isotopic Effects of Uranium Hydrides: First-Principles Calculations

By  

Materials Science Forum, Vol. 2015, Iss. 817, 2015-05 ,pp. : 675-684

Trans Tech Publications

Access to resources Recommend Favorite

First-principles calculations of transition metal solute interactions with hydrogen in tungsten

By Kong Xiang-Shan   Wu Xuebang   Liu C.S.   Fang Q.F.   Hu Q.M.   Chen Jun-Ling   Luo G.-N.  

Nuclear Fusion, Vol. 56, Iss. 2, 2016-02 ,pp. : 26004-26017

IOP Publishing

Access to resources Recommend Favorite