Abstract
Molecular dynamics simulations were used to study deformation-induced face-centered cubic (fcc) to body-centered cubic (bcc) transformation during uniaxial compression of an 80Fe-20Ni (at%) alloy with and without precipitates. Our purpose was to better understand recent experimental results in an Fe-Ni-based medium-entropy alloy where certain precipitates were found to constrain the fcc to bcc transformation. We find that larger precipitates and smaller spacings between precipitates hinder the phase transformation by impeding relaxation of internal elastic strains. These results deconvolute the individual effects of precipitate size and spacing and help interpret the experimental results where only their combined effects could be measured.
| Original language | English |
|---|---|
| Pages (from-to) | 585-592 |
| Number of pages | 8 |
| Journal | Materials Research Letters |
| Volume | 10 |
| Issue number | 9 |
| DOIs | |
| State | Published - 2022 |
Funding
The work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Division of Materials Science and Engineering. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231 using NERSC award BES-ERCAP0017736.
Keywords
- Molecular dynamics
- phase transformation
- phase transition
- precipitates