Atomistic modeling of the order-disorder phase transformation in the Ni₂Cr model alloy Public Deposited

http://ir.library.oregonstate.edu/concern/articles/nz806140m

To the best of our knowledge, one or more authors of this paper were federal employees when contributing to this work. This is the publisher’s final pdf. The article is copyrighted by Acta Materialia Inc. and published by Elsevier. It can be found at:  http://www.journals.elsevier.com/acta-materialia.

Descriptions

Attribute NameValues
Alternative Title
  • Atomistic modeling of the order-disorder phase transformation in the Ni2Cr model alloy
Creator
Abstract or Summary
  • Mechanical property degradation due to the disorder-order phase transformation is of potential concern for alloys based on the Ni-Cr binary system, particularly in nuclear power applications, where component lifetimes can exceed 80 years. In the present research, a disorder-order phase transformation has been studied in the Ni-33 at.% Cr model alloy by a combined experimental and computational approach. The multiscale modeling framework utilizes grand canonical and kinetic Monte Carlo simulation techniques based upon density functional theory calculations to treat both the thermodynamic and kinetic aspects of the phase transformation. The simulation results are used to generate a simple model for the ordering kinetics based upon the Kolmogorov-Johnson-Mehl-Avrami equation. Experimental measurements of the change in lattice parameter as a function of aging time and temperature are obtained in order to assess the model accuracy. The resulting model shows reasonable agreement with experimental data at 470 and 418°C; however, additional experimental data at longer aging times are needed to confirm the accuracy of the model at lower temperatures. The model predicts that the initiation of the ordering transformation will occur in Ni-33Cr at temperatures and timescales relevant to nuclear power systems, though longer times are required for the transformation to proceed to completion.
Resource Type
DOI
Date Available
Date Issued
Citation
  • Barnard, L., Young, G. A., Swoboda, B., Choudhury, S., Van der Ven, A., Morgan, D., & Tucker, J. D. (2014). Atomistic modeling of the order-disorder phase transformation in the Ni₂Cr model alloy. Acta Materialia, 81, 258-271. doi:10.1016/j.actamat.2014.08.017
Series
Keyword
Rights Statement
Funding Statement (additional comments about funding)
Publisher
Peer Reviewed
Language
Replaces
Additional Information
  • description.provenance : Made available in DSpace on 2014-12-29T17:37:49Z (GMT). No. of bitstreams: 1 TuckerJulieMIMEAtomisticModelingOrder.pdf: 1723133 bytes, checksum: 9c6bdcbf6812a3458ab1f2ea7fe218b6 (MD5) Previous issue date: 2014-12
  • description.provenance : Approved for entry into archive by Erin Clark(erin.clark@oregonstate.edu) on 2014-12-29T17:37:49Z (GMT) No. of bitstreams: 1 TuckerJulieMIMEAtomisticModelingOrder.pdf: 1723133 bytes, checksum: 9c6bdcbf6812a3458ab1f2ea7fe218b6 (MD5)
  • description.provenance : Submitted by Erin Clark (erin.clark@oregonstate.edu) on 2014-12-29T17:37:33Z No. of bitstreams: 1 TuckerJulieMIMEAtomisticModelingOrder.pdf: 1723133 bytes, checksum: 9c6bdcbf6812a3458ab1f2ea7fe218b6 (MD5)

Relationships

Parents:

This work has no parents.

Last modified

Downloadable Content

Download PDF

Items