An Atomistic Introduction to Orientation Relations Between Phases in the Face-centered Cubic to Body-centered Cubic Phase Transition in Iron and Steel
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- ExxonMobil Research and Engineering, Annandale, NJ (United States)
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 austenite 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 techniques 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.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States); ExxonMobil Research and Engineering, Annandale, NJ (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1505395
- Report Number(s):
- SAND-2017-0119; CRADA-SC07/01742.00.00; 650217
- Country of Publication:
- United States
- Language:
- English
Similar Records
HYDROGEN EMBRITTLEMENT IN STEELS, TITANIUM ALLOYS, AND SEVERAL FACE- CENTERED CUBIC ALLOYS
Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice with interactions between next-to-nearest neighbors