Results 271 to 280 of about 958,961 (292)

Phase stability in the Fe–Ni system: Investigation by first-principles calculations and atomistic simulations

Acta Materialia, 2005
Yuri Mishin, Michael J Mehl
exaly  

Electronic structure and stability of Mg–Ce intermetallic compounds from first-principles calculations

Journal of Alloys and Compounds, 2007
Ping Peng
exaly  

First principles phonon calculations in materials science

Scripta Materialia, 2015
Atsushi Togo, Isao Tanaka
exaly  

Chemistry: First-Principles Calculations

Science, 2006
openaire   +1 more source

First-principles calculations on the structural, elastic and electronic properties of a class of ternary carbides: A survey investigation

Materials and Design, 2017
Xuewen Xu, Chengchun Tang
exaly  

First-Principles Calculations 2

2020
openaire   +1 more source

Defects in boron carbide: First-principles calculations and CALPHAD modeling

Acta Materialia, 2012
Arkapol Saengdeejing, James E Saal, Zi-Kui Liu   +2 more
exaly  

Segregation of alloying elements to intrinsic and extrinsic stacking faults in γ′-Ni3Al via first principles calculations

Scripta Materialia, 2015
Paul D Bristowe
exaly  

Stability of (Ti, M)C (M = Nb, V, Mo and W) carbide in steels using first-principles calculations

Acta Materialia, 2012
Jae Hoon Jang, Chang-hoon Lee, Yoon-Uk Heo   +2 more
exaly  

First-principles calculations and thermodynamic modeling of the Al–Pt binary system

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 2011
Zi-Kui Liu
exaly