scholarly journals Ab initio free energies of liquid metal alloys: Application to the phase diagrams of Li-Na and K-Na

2022 ◽  
Vol 6 (1) ◽  
Author(s):  
Yang Huang ◽  
Michael Widom ◽  
Michael C. Gao
Keyword(s):  
Liquid Metal ◽  
Ab Initio ◽  
Phase Diagrams ◽  
Metal Alloys ◽  
Free Energies

LIQUID METAL FREE ENERGIES FROM AB INITIO POTENTIAL SURFACES

2008 ◽  
Author(s):  
C. W. Greeff ◽  
R. Lizárraga ◽  
Mark Elert ◽  
Michael D. Furnish ◽  
Ricky Chau ◽  
...  
Keyword(s):  
Liquid Metal ◽  
Ab Initio ◽  
Free Energies ◽  
Potential Surfaces ◽  
Metal Free

Ab-Initio Calojiations of Phase Diagrams of Binary Simplemetal Alloys

1982 ◽  
Vol 19 ◽  
Author(s):  
J. Hafner
Keyword(s):  
Ab Initio ◽  
Phase Diagrams ◽  
Ab Initio Calculation ◽  
Metal Alloys ◽  
Simple Metal ◽  
Combined Application ◽  
Thermodynamic Perturbation

ABSTRACTThe combined application of electronic and thermodynamic perturbation theories allows for an ab-initio calculation of the phase diagrams of binary simple-metal alloys.

New developments in the ab initio determination of transition metal alloys phase diagram

1993 ◽  
Vol 90 ◽  
pp. 249-254 ◽  
Author(s):  
C Wolverton ◽  
M Asta ◽  
S Ouannasser ◽  
H Dreyssé ◽  
D de Fontaine
Keyword(s):  
Phase Diagram ◽  
Transition Metal ◽  
Ab Initio ◽  
Metal Alloys ◽  
New Developments ◽  
Transition Metal Alloys

scholarly journals Exploring PtSO4 and PdSO4 phases: an evolutionary algorithm based investigation

2015 ◽  
Vol 17 (27) ◽  
pp. 18146-18151 ◽  
Author(s):  
Hom Sharma ◽  
Vinit Sharma ◽  
Tran Doan Huan
Keyword(s):  
Ab Initio ◽  
Evolutionary Algorithm ◽  
Phase Diagrams ◽  
Temperature Phase

New phases of PtSO4 and PdSO4 are identified and their pressure–temperature phase diagrams are constructed using ab initio calculations.

scholarly journals The phase diagrams of KCaF3 and NaMgF3 by ab initio simulations

2017 ◽  
Vol 45 (4) ◽  
pp. 311-322 ◽  
Author(s):  
Clément Jakymiw ◽  
Lidunka Vočadlo ◽  
David P. Dobson ◽  
Edward Bailey ◽  
Andrew R. Thomson ◽  
...  
Keyword(s):  
Ab Initio ◽  
Phase Diagrams ◽  
Ab Initio Simulations

Simple model for liquid metal alloys and relation to Miedema's variables

Physica B+C ◽  
1982 ◽  
Vol 114 (2) ◽  
pp. 141-146
Author(s):  
J.A. Alonso ◽  
N.H. March
Keyword(s):  
Simple Model ◽  
Liquid Metal ◽  
Metal Alloys
Sign in / Sign up

Export Citation Format

Share Document