First-principles calculations on interface stability and migration of H and He in W-ZrC interfaces
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DOI: 10.1016/j.apsusc.2019.143995
Abstract: Abstract In this work, the stability and adhesion of twelve tungsten-zirconium carbide (W-ZrC) interfaces as well as the migration of hydrogen (H) and helium (He) near the interface were investigated by first-principles calculations. The results… read more here.
Keywords: zrc interfaces; migration; zrc; principles calculations ... See more keywords
Cohesion properties of W-ZrC interfaces from first principles calculation
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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