Phase transformation path in Aluminum under ramp compression; simulation and experimental study
LJ He and D Polsin and S Zhang and GW Collins and N Abdolrahim, SCIENTIFIC REPORTS, 12, 18954 (2022).
We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in- situ x-ray diffraction data. The NEMD simulations show the solid-solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path.
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