A review of the metal–hydrogen systems modeled or investigated with the CALPHAD
method is presented. The specific features of metal–hydrogen systems in relation with the …

A comparative study on hydrogen diffusion in amorphous and simple crystalline structures
has been carried out using molecular dynamics simulations. The Cu-Zr bulk metallic glass …

Interatomic potentials for VM (M= Cu, Mo, Ti) binary systems have been developed within
the framework of the second-nearest-neighbor modified embedded-atom method (2NN …

A semi-empirical methodology for predicting the permeability of hydrogen in metallic alloys
is proposed by combining an atomistic simulation and a thermodynamic calculation. An …

Hydrogen embrittlement in metals is a challenging technical issue in the proper use of
hydrogen energy. Despite extensive investigations, the underlying mechanism has not been …

CALPHAD type thermodynamic assessments for the V–M–H (M= Al, Co, Fe, Ni) hydrogen
membrane systems have been carried out on the basis of a newly assessed Co–H binary …

Thin sheets of V85Al10Co5 alloy were produced by a thermo-mechanical treatment
consisting in successive hot rolling, cold rolling steps and annealing treatment at high …

Molecular dynamics simulations of hydrogen diffusion at Σ3 and Σ5 tilt grain boundaries in
bcc vanadium (V) have been performed based on modified embedded-atom method …

Объектом исследования является молекулярно-динамическая модель системы"
Цирконий-медь-водорода" Цель работы–Моделирование диффузии водорода в …