水分子の吸着に伴うフォルステライトガラス表面の構造変化

抄録

To investigate the effects of adsorbed H₂O on the surface structure of forsterite glass, we performed molecular dynamics calculations. The results show that the amplitudes of the thermal vibrations of atoms in forsterite surface decrease with H₂O adsorption. Furthermore, it was found that MgO_xH_y units exist in the interface of forsterite glass and grown amorphous ice. The observed decrease in the amplitudes of thermal vibrations is attributed to formation of covalent bonds between Mg and oxygen in H₂O. The interface structure of forsterite glass with amorphous ice has important implications for chemical evolution in interstellar spaces.