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Dynamical Fracture in Ice I h as Modeled by TIP4P/Ice and mW Water Potentials
Author(s) -
Moreira Pedro Augusto Franco Pinheiro
Publication year - 2020
Publication title -
annalen der physik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.009
H-Index - 68
eISSN - 1521-3889
pISSN - 0003-3804
DOI - 10.1002/andp.201900587
Subject(s) - water model , molecular dynamics , interatomic potential , water ice , ice ih , fracture (geology) , range (aeronautics) , materials science , physics , molecule , composite material , astrobiology , quantum mechanics
Fracture in ice I h is simulated with molecular dynamics utilizing two potential fields, TIP4P/Ice and mW, and in different temperature conditions. The simulations produce propagating crack speeds over a large range of fracture energies. Terminal crack speed simulated with TIP4P/Ice potential can reach more than 200 m/s befitting experimental results. On the other hand, for mW potential, crack speed is around 5 m/s. The TIP4P/ice model suggests a brittle ice while mW potential describes a much more ductile material. The computational simulations are designed to permit direct comparison with experiments which can be performed in the hereafter. This comparison could provide a sensitive test to interatomic potentials.