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Reverse Monte Carlo structural model for a zirconium-based metallic glass incorporating fluctuation microscopy medium-range order data

Published online by Cambridge University Press:  31 January 2011

Jinwoo Hwang ,
Anna M. Clausen ,
Hongbo Cao  and
Paul M. Voyles
Jinwoo Hwang*
Affiliation:
Department of Materials Science and Engineering, University of Wisconsin, Madison, Wisconsin 53706-1595
Paul M. Voyles
Affiliation:
Department of Materials Science and Engineering, University of Wisconsin, Madison, Wisconsin 53706-1595
*
a) Address all correspondence to this author. e-mail: jhwang3@wisc.edu
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Abstract

We used reverse Monte Carlo (RMC) modeling to simulate the atomic structure of a Zr-based bulk metallic glass (BMG), incorporating short-range structural data from the electron diffraction total reduced density function G(r) and medium-range structural data from fluctuation electron microscopy (FEM). Including the FEM data created within the model loosely ordered planar atomic arrangements covering regions ∼1 nm in diameter without degrading the agreement with G(r). RMC refinement against only G(r) produced no agreement with FEM. Improved simulations are needed to create fully realistic BMG structures, but these results show that including FEM in RMC further constrains the structure compared with G(r) data alone and that the FEM signal in real materials is likely to arise from pseudo-planar arrangements of atoms.

Keywords

AmorphousSimulationTransmission electron microscopy (TEM)
Type
Articles
Information
Journal of Materials Research , Volume 24 , Issue 10 , October 2009 , pp. 3121 - 3129
Copyright
Copyright © Materials Research Society 2009

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