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	Molecular dynamics simulation of MgSiO3 perovskite
	Zhou, LX ; Hardy, JR ; Xu, X ; Xu X(徐昕)
	1997-12-08
英文摘要	Using molecular dynamics to simulate MgSiO3 perovskite is performed to investigate its phase transitions and superionicity. These simulations has used parameter-free Gordon-Kim potentials and a novel technique to monitor the motion of ions which clearly demonstrates the sublattice melting of ions O2- and the rotations of SiO6 octahedra. MgSiO3 has to undergo a few of phase transitions, then enter into the cubic phase. Ln particular, there is a transitional phase between orthorhombic phase and cu bic phase. There are a superionic phase and the cubic phase in magnesium-rich silicate perovskite. This superionic phase occurs after the onset of cubic phase before the melting point. The onset temperature T-c for superionicity is about 200-700 K below the melting point T-m, T-c/T-m - 0.92.
语种	中文
出版者	ALLERTON PRESS INC
内容类型	期刊论文
源URL	[http://dx.doi.org/doi:10.1088/0256-307X/15/6/020]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Zhou, LX,Hardy, JR,Xu, X,et al. Molecular dynamics simulation of MgSiO3 perovskite[J],1997.
APA	Zhou, LX,Hardy, JR,Xu, X,&徐昕.(1997).Molecular dynamics simulation of MgSiO3 perovskite..
MLA	Zhou, LX,et al."Molecular dynamics simulation of MgSiO3 perovskite".(1997).

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