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Title: An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel.

Abstract

We establish an atomistic view of the high- and low-temperature phases of iron/steel as well as some elements of the phase transition between these phases on cooling. In particular we examine the 4 most common orientation relationships between the high temperature austen- ite and low-temperature ferrite phases seen in experiment. With a thorough understanding of these relationships we are prepared to set up various atomistic simulations, using tech- niques such as Density Functional Theory and Molecular Dynamics, to further study the phase transition, in particular, quantities needed for Phase Field Modeling, such as the free energies of bulk phases and the phase transition front propagation velocity.

Authors:
; ;
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
ExxonMobil CRADA
OSTI Identifier:
1505395
Report Number(s):
SAND2017-0119
650217
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English

Citation Formats

Wills, Ann Elisabet, Thompson, Aidan P., and Raman, Sumathy. An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel.. United States: N. p., 2017. Web. doi:10.2172/1505395.
Wills, Ann Elisabet, Thompson, Aidan P., & Raman, Sumathy. An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel.. United States. https://doi.org/10.2172/1505395
Wills, Ann Elisabet, Thompson, Aidan P., and Raman, Sumathy. Sun . "An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel.". United States. https://doi.org/10.2172/1505395. https://www.osti.gov/servlets/purl/1505395.
@article{osti_1505395,
title = {An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel.},
author = {Wills, Ann Elisabet and Thompson, Aidan P. and Raman, Sumathy},
abstractNote = {We establish an atomistic view of the high- and low-temperature phases of iron/steel as well as some elements of the phase transition between these phases on cooling. In particular we examine the 4 most common orientation relationships between the high temperature austen- ite and low-temperature ferrite phases seen in experiment. With a thorough understanding of these relationships we are prepared to set up various atomistic simulations, using tech- niques such as Density Functional Theory and Molecular Dynamics, to further study the phase transition, in particular, quantities needed for Phase Field Modeling, such as the free energies of bulk phases and the phase transition front propagation velocity.},
doi = {10.2172/1505395},
url = {https://www.osti.gov/biblio/1505395}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {1}
}