Temperature Dependence of Elastic Properties for Amorphous SiO<SUB>2</SUB> by Molecular Dynamics Simulation

Chin. Phys. Lett.

2008, Vol. 25

Issue (8): 2747-2750 DOI:

Original Articles

Temperature Dependence of Elastic Properties for Amorphous SiO₂ by Molecular Dynamics Simulation

LIU Bin^1,2, WANG Jing-Yang^1,3, ZHOU Yan-Chun¹, LI Fang-Zhi ^1,2

¹Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016²Graduate School of Chinese Academy of Sciences, Beijing 100039³International Centre for Materials Physics, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016

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LIU Bin, WANG Jing-Yang, ZHOU Yan-Chun et al 2008 Chin. Phys. Lett. 25 2747-2750

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Abstract Large-scale and long-time molecular-dynamics simulations are used to investigate the temperature dependences of elastic properties for amorphous SiO₂. The elastic moduli increase in a temperature range up to 1600 K and decrease thereafter. The anomalous behaviour in elasticity is explained by analysing the changes of atomic-scale structure with respect to increment of temperature. The mechanism originates predominantly from distortion of the SiO₄ tetrahedra network in low-temperature ranges. At an elevated temperature range, thermal-induced Si--O bond stretching dominates the process and leads to normal temperature dependence of elastic properties.

Keywords: 02.70.Ns 61.43.Fs 62.20.-x

Received: 06 May 2008 Published: 25 July 2008

PACS:	02.70.Ns	(Molecular dynamics and particle methods)
	61.43.Fs	(Glasses)
	62.20.-x	(Mechanical properties of solids)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2008/V25/I8/02747

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