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Study of Structure Transition and Crystallization of Amorphous Silica under Compression
2020
VNU Journal of Science Mathematics - Physics
In this work, we use molecular dynamic (MD) simulation to study of the structure transition and crystallization of amorphous silica (SiO2) under compression. The structural evolution of amorphous SiO2 is explained through radial distribution function, coordination number distribution, bond angle distribution and visualization. Simulation result shown that there is a structural transformation from tetrahedral to octahedral network through SiO5 units. In the 5-15 GPa pressure range, structural
doi:10.25073/2588-1124/vnumap.4422
fatcat:7t43zj7pebev5lonbfzpxcmy4y