Molecular dynamics simulation of crystal structure and heat capacity in perovskite-type molybdates SrMoO3 and BaMoO3
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DOI: 10.1016/j.commatsci.2021.110609
Abstract: Abstract A molecular dynamics simulation approach is applied to investigate thermal expansion of the lattice parameters and heat capacities of SrMoO3 and BaMoO3 perovskite-type molybdates in the temperature range between 300 and 1000 K. The meaningful… read more here.
Keywords: dynamics simulation; heat; type molybdates; perovskite type ... See more keywords