Journal of Nanomaterials / 2020 / Article / Tab 2

Research Article

Molecular Dynamics Study on SiO2 Interfaces of Nonfiring Solids

Table 2

Calculation condition on relaxation calculation.

Calculation modelO modelSi modelOH model

Numbers of atoms112510351215
Number of H2O30
Boundary conditionPeriodic boundary
Temperature (K)300
Calculation time (ps)10

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