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A Review of some Theoretical Models for Point Defect Calculations

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Abstract:

A Brief Sketch of Different Models for the Calculation of Defect Parameters in Metals and Alloys, Comparison of Data and Limitations Has Been Reviewed here; Especially Relaxations due to a Vacancy Type of Point Defect, its Formation, Migration, Activation Energies and Related other Parameters Based upon the Present Experimental Status. the Models Reviewed Are the Bond Model, Continuum Model, Semi-Discrete Model, Jellium Model, Thermodynamic Model, Lattice Statics Model, Atomistic Continuum Model and Pseudopotential Model. the Main Thrust Concerns the Last Model. the Taylor, Vashishta and Singwi, Harrison, Kleinmann and King and Kutler Form of Exchange and Correlation Function Are Almost Similar, Give Moderate Results and May Be Trusted for Better Results.

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Periodical:

Defect and Diffusion Forum (Volume 329)

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81-0

DOI:

https://doi.org/10.4028/www.scientific.net/DDF.329.81

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Online since:

July 2012

Authors:

Amitava Ghorai

Keywords:

Fast Diffusion, FCC Metals, Interstitial, Model Pseudopotential, Point Defect, Vacancy

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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