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Simulation of the Crystal-To-Amorphous Transformation in Irradiated Quartz

Published online by Cambridge University Press:  26 February 2011

Uma Jain ,
Adam C. Powell  and
Linn W. Hobbs
Uma Jain
Affiliation:
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A. Gargi College, Delhi University, New Delhi, India.
Adam C. Powell
Affiliation:
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A.
Linn W. Hobbs
Affiliation:
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A.
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Abstract

Quartz and other crystalline polymorphs of silica transform from the crystalline to an aperiodic state under irradiation. There is a need to understand the structural changes involved during this amorphization process. We have built an engineering modelwhich simulates the growth of amorphous regions within a crystalline matrix during the crystal-to-amorphous transition in irradiated quartz. The resulting crystal structure is displayed on the computer screen or plotted on a printer with the orthogonal coordinates of all the atoms in the cluster and the interatomic distances stored in a file. We find the bond lengths increase by about 3%, which is a reasonable value to expect since quartz expands 14% by volume during the amorphization. The results also show the crystal structure surrounding the strained region to be somewhat disturbed, consistent with what is observed experimentally.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990 , 201
Copyright
Copyright © Materials Research Society 1991

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References

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