Journal Article10.1126/SCIENCE.1070375
Microscopic View of Structural Phase Transitions Induced by Shock Waves
TL;DR: Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron, finding that the dynamics and orientation of the developing close-packed grains depend on the shock strength and especially on the crystallographic shock direction.
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Abstract: Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron. Above a critical shock strength, many small close-packed grains nucleate in the shock-compressed body-centered cubic crystal growing on a picosecond time scale to form larger, energetically favored grains. A split two-wave shock structure is observed immediately above this threshold, with an elastic precursor ahead of the lagging transformation wave. For even higher shock strengths, a single, overdriven wave is obtained. The dynamics and orientation of the developing close-packed grains depend on the shock strength and especially on the crystallographic shock direction. Orientational relations between the unshocked and shocked regions are similar to those found for the temperature-driven martensitic transformation in iron and its alloys.
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Citations
Hugoniot States and Mie–Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics
Yuntian Wang,Xiangguo Zeng,Huayan Chen,Xin Yang,Fang Wang,Jun Ding +5 more
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TL;DR: In this article, the Mie-Gruneisen equation of state (EOS) parameters of single-crystal (SC) and nanocrystalline (NC) iron under high pressures were determined.
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