Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture

Abstract

The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, molecular dynamics simulation is employed to investigate the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture system. The brittle fracture occurred during the tensile deformation of the system. Besides, the maximum stress of the hydrate/ water/ ice mixture system is lower than that of intact hydrate system. The fracture strain of studied system is smaller than that of pure hydrate system. The order parameters F3 and F4 can be used for determining the fracture position of mixture system and the changing of micro configuration on the mixture interface.