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Phase Transformations Under High Pressure and Large Plastic Deformations: Multiscale Theory and Interpretation of Experiments

  • Valery I. Levitas
Conference paper
Part of the The Minerals, Metals & Materials Series book series (MMMS)

Abstract

It is known that superposition of large plastic shear at high pressure in a rotational diamond anvil cell (RDAC) or high-pressure torsion leads to numerous new phenomena, including drastic reduction in phase transformation (PT) pressure and appearance of new phases. Here, our four-scale theory and corresponding simulations are reviewed. Molecular dynamic simulations were used to determine lattice instability conditions under six components of the stress tensor, which demonstrate strong reduction of PT pressure under nonhydrostatic loading. At nanoscale, nucleation at various evolving dislocation configurations is studied utilizing a developed phase field approach. The possibility of reduction in PT pressure by an order of magnitude due to stress concentration at the shear-generated dislocation pileup is proven. At microscale, a strain-controlled kinetic equation is derived and utilized in large-strain macroscopic theory for coupled PTs and plasticity. At macroscale, the behavior of the sample in DAC and RDAC is studied using a finite-element approach. A comprehensive computational study of the effects of different material and geometric parameters is performed, and various experimental effects are reproduced. Possible misinterpretation of experimental PT pressure is demonstrated. The obtained results offer new methods for controlling PTs and searching for new high-pressure phases (HPPs), as well as methods for characterization of high-pressure PTs in traditional DAC and RDAC.

Keywords

Strain-induced phase transformations High pressure Four-scale theory Nucleation at dislocation pile-up Rotational diamond anvil cell 

Notes

Acknowledgements

The support of ARO (W911NF-12-1-0340), NSF (DMR-1434613 and CMMI-1536925), and Iowa State University (Schafer 2050 Challenge Professorship and Vance Coffman Faculty Chair Professorship) is gratefully acknowledged.

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Copyright information

© The Minerals, Metals & Materials Society 2018

Authors and Affiliations

  1. 1.Departments of Aerospace Engineering, Mechanical Engineering, and Material Science and EngineeringIowa State UniversityAmesUSA
  2. 2.Ames Laboratory, Division of Materials Science & EngineeringAmesUSA

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