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Phase transformation path in Aluminum under ramp compression; simulation and experimental study.

ABSTRACT: 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.

SUBMITTER: He L

PROVIDER: S-EPMC9643319 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature

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Phase transformation path in Aluminum under ramp compression; simulation and experimental study.

He Lijie L Polsin Danae D Zhang Shuai S Collins Gilbert W GW Abdolrahim Niaz N

Scientific reports 20221108 1

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-pac ...[more]

PMID: 36347919

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