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Dislocation Mobilities in NiAl From Molecular Dynamics Simulations

Published online by Cambridge University Press:  26 February 2011

A. Moncevicz ,
P. C. Clapp  and
J. A. Rifkin
A. Moncevicz
Affiliation:
Center for Materials Simulation, Institute of Materials Science, University of Connecticut, Storrs, CT 06269-3136
P. C. Clapp
Affiliation:
Center for Materials Simulation, Institute of Materials Science, University of Connecticut, Storrs, CT 06269-3136
J. A. Rifkin
Affiliation:
Center for Materials Simulation, Institute of Materials Science, University of Connecticut, Storrs, CT 06269-3136
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Abstract

Using the Voter-Chen Embedded Atom Method (EAM) potentials for the Ni-Al alloy system,the Peierls stress (σp) and velocity of edge dislocations (b=[100]) have been estimated in stoichiometric perfectly ordered B2 NiAIat a temperature of 10 K, by the use of molecular dynamics simulations employing approximately 4000 atoms. σp was determined to be about 3×1010 dynes/cm2, or about 2%of the shear modulus, C44. The steady state velocity was found to be about 1.6×105 cm/s (or 65% of the (001) shear velocity) under an applied shear stress of 3.9×1010 dynes/cm2. Stress induced martensite (SIM) was nucleated in some of the simulations after the dislocation had begun to move, and in all cases when the SIM reached the immediate neighborhood of the dislocation core the motion of the dislocation was arrested.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990 , 213
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

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