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Computer simulation models of glass structure

Author: Takada A.   Cormack A. N.  

Publisher: Society of Glass Technology

ISSN: 0031-9090

Source: Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B, Vol.49, Iss.3, 2008-06, pp. : 127-135

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

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Abstract

Experimental probes can provide much structural information on short range order in glasses; however, their structures over the medium range are still understood poorly. Computer simulations such as molecular dynamics and reverse Monte Carlo methods can complement experimental methods and they have revealed new insights into medium range order, surface structures, and dynamic changes in local structures. First, a history of computer simulations of glass structure is reviewed. Then recent advances in simulation techniques and state-the-art applications are explained. Finally, future directions including TC-3 (Technical Committee on Basic Glass Science under the International Commission on Glass) activities are discussed.