New interatomic potentials of W, Re and W-Re alloy for radiation defects
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DOI: 10.1016/j.jnucmat.2018.01.059
Abstract: Abstract Tungsten (W) and W-based alloys have been considered as promising candidates for plasma-facing materials (PFMs) in future fusion reactors. The formation of rhenium (Re)-rich clusters and intermetallic phases due to high energy neutron irradiation… read more here.
Keywords: radiation defects; new interatomic; energy; potentials alloy ... See more keywords
Applying a new interatomic potential for the simulation of monoclinic and triclinic Li4SiO4
Sign Up to like & getrecommendations! Published in 2018 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2018.03.073
Abstract: Abstract An interatomic pair potential has been constructed for the simulation of α-Li4SiO4 (monoclinic phase) and γ-Li4SiO4 (triclinic phase). The potential parameters are fitted by the structure information and elastic constants. Applying this potential, the… read more here.
Keywords: new interatomic; applying new; potential simulation; simulation ... See more keywords
New interatomic potential for Mg-Al-Zn alloys with specific application to dilute Mg-based alloys
Sign Up to like & getrecommendations! Published in 2018 at "Modelling and Simulation in Materials Science and Engineering"
DOI: 10.1088/1361-651x/aabaad
Abstract: Because of its very large c/a ratio, zinc has proven to be a difficult element to model using semi-empirical classical potentials. It has been shown, in particular, that for the modified embedded atom method (MEAM),… read more here.
Keywords: potential alloys; new interatomic; zinc; potential ... See more keywords