Cohesion properties of W-ZrC interfaces from first principles calculation
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.07.238
Abstract: Abstract Six interface models are constructed and used to find out the cohesion properties of W-ZrC interfaces through first principles calculations. It is revealed that interface orientation has an important effect on heat of formation… read more here.
Keywords: zrc interfaces; interfaces first; cohesion; cohesion properties ... See more keywords
Fundamental effects of hydrogen on cohesion properties of Cu/W interfaces
Sign Up to like & getrecommendations! Published in 2017 at "Solid State Communications"
DOI: 10.1016/j.ssc.2016.11.018
Abstract: Abstract First principles calculation is used to investigate the thermodynamic stability of hydrogen at Cu/W interfaces and the effects of hydrogen on cohesion properties of Cu/W interfaces. It is revealed that the solution energies of… read more here.
Keywords: effects hydrogen; properties interfaces; cohesion properties; hydrogen cohesion ... See more keywords