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A New Non-Equilibrium Molecular Dynamics Simulation Method for Rapid Solidification

Published online by Cambridge University Press:  26 February 2011

Dhanraj K. Chokappa  and
Paulette Clancy
Dhanraj K. Chokappa
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853, U.S.A.
Paulette Clancy
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853, U.S.A.
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Abstract

A new non-equilibrium Molecular Dynamics (NEMD) computer simulation method has been developed to study ultra-rapid melting and resolidification processes, e.g. laser annealing, ion implantation, etc. An atomic-level description of the material is combined with a new simulation technique to produce thermodynamic, structural and kinetic information as a function of time. Experimentally realistic values of the energy fluence, pulse duration and substrate temperature are used as input to the simulation. Rapid heat transfer simulating the action of the energy input is then set up allowing a complete prediction of the undercooling and associated kinetic properties. As such this new method offers the most realistic simulation model for rapid thermal processing to date.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 100: Symposium – A Fundamentals of Beam-Solid Interactions and Transient Thermal Processing , 1988 , 543
Copyright
Copyright © Materials Research Society 1988

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References

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