Open AccessFirst-principles studies of phase stability and the structural and dynamical properties of hydrogen-metal systems. Final report
Author(s) -
M.Y. Chou
Publication year - 1993
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/10160400
Subject(s) - pseudopotential , phase diagram , hydrogen , chemistry , neutron diffraction , yttrium , interstitial defect , electronic structure , cluster (spacecraft) , density functional theory , pentagonal bipyramidal molecular geometry , phase (matter) , condensed matter physics , crystallography , crystal structure , physics , computational chemistry , doping , organic chemistry , computer science , programming language , oxide