Kinetics of HCP-BCC Phase Transition Boundary in Magnesium at High Pressure
Under high pressures, many crystalline metals undergo solid–solid phase transformations. In order to accurately model the behavior of materials under extreme loading conditions, it is essential to understand the kinetics of phase transition. Using molecular dynamics simulations, this work demonstrates the feasibility of characterizing the speeds of a moving phase boundary using atomistic simulations employing a suitable empirical potential for single-crystal magnesium. The model can provide temperature- and tensorial stress-dependent velocity of a moving phase boundary as a rate-limiting contribution to the kinetics of phase transformation in continuum codes. Results demonstrate that a nonlinear interaction exists between plasticity and phase transition, facilitating a jump in the velocity of a moving phase boundary, facilitated by activated plastic deformation mechanisms.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- Grant/Contract Number:
- 89233218CNA000001
- OSTI ID:
- 2406659
- Report Number(s):
- LA-UR--24-22912
- Journal Information:
- Metals, Journal Name: Metals Journal Issue: 6 Vol. 14; ISSN 2075-4701
- Publisher:
- MDPICopyright Statement
- Country of Publication:
- United States
- Language:
- English
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