Exploració per autor "Bitrian Varea, Vicente"
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A polarizable ion model for the structure of molten CuI
Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim (2011-01-24)
Article
Accés obertThe results are reported of the molecular dynamics simulations of the coherent static structure factor of molten CuI at 938 K using a polarizable ion model. This model is based on a rigid ion potential to which the many ... -
Driving mechanisms and streamwise homogeneity in molecular dynamics simulations of nanochannel flows
Bitrian Varea, Vicente; Principe, Ricardo Javier (2018-01-12)
Article
Accés obertIn molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the ...