Density functional study of the phase diagram and thermodynamic properties of Zr

Computational Materials Science ◽

10.1016/j.commatsci.2010.10.017 ◽

2011 ◽

Vol 50 (3) ◽

pp. 835-840 ◽

Author(s):

Cui-E. Hu ◽

Zhao-Yi Zeng ◽

Lin Zhang ◽

Xiang-Rong Chen ◽

Ling-Cang Cai

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti

Physical Review B ◽

10.1103/physrevb.80.104116 ◽

2009 ◽

Vol 80 (10) ◽

Author(s):

Zhi-Gang Mei ◽

Shun-Li Shang ◽

Yi Wang ◽

Zi-Kui Liu

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Temperature Phase ◽

Density Functional Study ◽

Temperature Phase Diagram

Download Full-text

Density functional study of the thermodynamic properties and phase diagram of the magnesium hydride

Calphad ◽

10.1016/j.calphad.2017.11.001 ◽

2018 ◽

Vol 60 ◽

pp. 7-15 ◽

Author(s):

Hasan S. AlMatrouk ◽

Viorel Chihaia ◽

Valentin Alexiev

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Magnesium Hydride ◽

Functional Study ◽

Density Functional Study

Download Full-text

Density functional study of the phase diagram of 3D C[sub 60]-polymers

10.1063/1.1342475 ◽

2000 ◽

Author(s):

Péter Rajczy

Keyword(s):

Phase Diagram ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Density functional study of the structural, electronic, elastic and thermodynamic properties of ACRu3 (A = V, Nb and Ta) compounds

Intermetallics ◽

10.1016/j.intermet.2010.11.002 ◽

2011 ◽

Vol 19 (4) ◽

pp. 476-485 ◽

Author(s):

K. Haddadi ◽

A. Bouhemadou ◽

L. Louail ◽

M. Maamache

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Density functional study of elastic, mechanical and thermodynamic properties of MgCu with a CsCl-type structure

Journal of Magnesium and Alloys ◽

10.1016/j.jma.2013.05.001 ◽

2013 ◽

Vol 1 (2) ◽

pp. 128-133 ◽

Author(s):

S. Boucetta ◽

F. Zegrar

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Type Structure ◽

Functional Study ◽

Density Functional Study ◽

Download Full-text

A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters

Molecular Simulation ◽

10.1080/08927022.2013.861903 ◽

2014 ◽

Vol 40 (15) ◽

pp. 1255-1264 ◽

Author(s):

Ngangbam Bedamani Singh ◽

Utpal Sarkar

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Palladium Clusters

Download Full-text

Density Functional Study of the Phase Diagram and Pressure-Induced Superconductivity in P: Implication for Spintronics

Physical Review Letters ◽

10.1103/physrevlett.91.087002 ◽

2003 ◽

Vol 91 (8) ◽

Author(s):

S. Ostanin ◽

V. Trubitsin ◽

J. B. Staunton ◽

S. Y. Savrasov

Keyword(s):

Phase Diagram ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Hybrid density functional study on lattice vibration, thermodynamic properties, and chemical bonding of plutonium monocarbide

Chinese Physics B ◽

10.1088/1674-1056/25/6/067106 ◽

2016 ◽

Vol 25 (6) ◽

pp. 067106 ◽

Author(s):

Rong Yang ◽

Bin Tang ◽

Tao Gao ◽

BingYun Ao

Keyword(s):

Thermodynamic Properties ◽

Chemical Bonding ◽

Density Functional ◽

Lattice Vibration ◽

Functional Study ◽

Density Functional Study ◽

Hybrid Density Functional

Download Full-text

Density functional study of vibrational and thermodynamic properties of ringwoodite

Journal of Geophysical Research Atmospheres ◽

10.1029/2006jb004282 ◽

2006 ◽

Vol 111 (B12) ◽

pp. n/a-n/a ◽

Author(s):

Yonggang G. Yu ◽

Renata M. Wentzcovitch

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text

Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA

Physical Review E ◽

10.1103/physreve.70.011912 ◽

2004 ◽

Vol 70 (1) ◽

Author(s):

Ke Wang ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

Download Full-text