Structure and motion at the liquid-vapor interface of some interalkali binary alloys: An orbital-free ab initio study

2009 ◽  
Vol 130 (11) ◽  
pp. 114703 ◽  
Author(s):  
David J. González ◽  
Luis E. González
Keyword(s):  
Ab Initio ◽  
Binary Alloys ◽  
Ab Initio Study ◽  
Vapor Interface ◽  
Structure And Motion ◽  
Orbital Free ◽  
Liquid Vapor

An ab initio study of the structure and atomic transport in bulk liquid Ag and its liquid-vapor interface

2016 ◽  
Vol 28 (10) ◽  
pp. 107105 ◽  
Author(s):  
Beatriz G. del Rio ◽  
David J. González ◽  
Luis E. González
Keyword(s):  
Ab Initio ◽  
Bulk Liquid ◽  
Ab Initio Study ◽  
Vapor Interface ◽  
Atomic Transport ◽  
Liquid Vapor

Atomic clustering in liquid Al3Li: An orbital free ab initio study

2007 ◽  
Vol 353 (32-40) ◽  
pp. 3528-3531
Author(s):  
A. Vega-Toribio ◽  
L.E. González ◽  
D.J. González ◽  
J.M. López
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Orbital Free

Ab initio study of phase stability in Fe-Pd binary alloys.

2018 ◽  
Author(s):  
R. Pathak ◽  
O. Golovnya ◽  
A. Popov ◽  
R. Skomski ◽  
A. Kashyap
Keyword(s):  
Ab Initio ◽  
Phase Stability ◽  
Binary Alloys ◽  
Ab Initio Study

Monte Carlo simulation of the liquid–vapor interface of water using an ab initio potential

1993 ◽  
Vol 99 (5) ◽  
pp. 3933-3937 ◽  
Author(s):  
George C. Lie ◽  
Stelian Grigoras ◽  
Liem X. Dang ◽  
Dah‐Yen Yang ◽  
A. Douglas McLean
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ab Initio ◽  
Vapor Interface ◽  
Liquid Vapor
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