collaborators

1 paper

cond-mat.mtrl-sci2018

Elastic constants of Ice I as described by semi-empirical water models

Pedro Augusto Franco Pinheiro Moreira, Roberto Gomes de Aguiar Veiga, Maurice de Koning

Using molecular dynamics simulations we compute the elastic constants of ice I for a set of 8 frequently used semi-empirical potentials for water, namely the rigid-molecule SPC…