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	Solid-state amorphization observed in the Cu-Zr system by molecular dynamics simulation
	Su-Hui Liang ; Jia-Hao Li ; Bai-Xin Liu
	2010-10-12 ; 2010-10-12
关键词	Theoretical or Mathematical/ amorphisation chemical interdiffusion copper alloys metallic glasses molecular dynamics method multilayers nucleation sandwich structures solid solubility solid solutions tight-binding calculations vitrification zirconium alloys/ solid-state amorphization molecular dynamics simulation n-body potential second moment tight-binding approximation solid solution sandwich models crystal-to-amorphous transition solid solubility diffusion amorphous interlayer growth asymmetric-growth behavior nucleation bulk metallic glass glass forming ability Cu-Zr-Cu Cu/sub 65/Zr/sub 35// A6470K Solid-solid transitions A6470P Glass transitions A6630N Chemical interdiffusion in solids A6822 Surface diffusion, segregation and interfacial compound formation A6475 Solubility, segregation, and mixing A6185 Modelling and computer simulation of solid structure A6865 Low-dimensional structures: growth, structure and nonelectronic properties A6140D Structure of glasses/ Cu-Zr-Cu/int Cu/int Zr/int Cu/el Zr/el Cu65Zr35/bin Cu65/bin Zr35/bin Cu/bin Zr/bin
中文摘要	An n-body potential of the Cu-Zr system is constructed under the formalism of the second moment approximation of tight-binding. Applying the proven relevant Cu-Zr potential, solid-state amorphization has been observed in the Cu-Zr system by molecular dynamics simulations using the solid solution and sandwich models. Simulations using the solid solution models not only reproduce the experimentally observed crystal-to-amorphous transition in the system, but also clarify that the physical origin of the transition is the crystalline lattice collapsing while the solute atoms are exceeding the critical solid solubilities, 8 at.% of Cu and 10 at.% of Zr in the hcp Zr-based and fcc Cu-based solid solutions, respectively, which matches well with that observed in experiments. Simulations using the Cu/Zr/Cu sandwich models indicate that the amorphization is initiated by the mutual diffusion of the atoms and that the Cu-Zr amorphous layer grows in a layer-by-layer kinetics featuring a so-called asymmetric-growth behavior. The growth of the amorphous interlayer can be divided into three stages: the fast nucleating stage, the diffusion-growing stage and the steady finishing stage.
语种	英语
出版者	Physical Society of Japan ; Japan
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/78496]
专题	清华大学
推荐引用方式 GB/T 7714	Su-Hui Liang,Jia-Hao Li,Bai-Xin Liu. Solid-state amorphization observed in the Cu-Zr system by molecular dynamics simulation[J],2010, 2010.
APA	Su-Hui Liang,Jia-Hao Li,&Bai-Xin Liu.(2010).Solid-state amorphization observed in the Cu-Zr system by molecular dynamics simulation..
MLA	Su-Hui Liang,et al."Solid-state amorphization observed in the Cu-Zr system by molecular dynamics simulation".(2010).

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