Modeling and simulation of strain-induced phase transformations under compression in a diamond anvil cell

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Zarechnyy, Oleg
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Aerospace Engineering

The Department of Aerospace Engineering seeks to instruct the design, analysis, testing, and operation of vehicles which operate in air, water, or space, including studies of aerodynamics, structure mechanics, propulsion, and the like.

The Department of Aerospace Engineering was organized as the Department of Aeronautical Engineering in 1942. Its name was changed to the Department of Aerospace Engineering in 1961. In 1990, the department absorbed the Department of Engineering Science and Mechanics and became the Department of Aerospace Engineering and Engineering Mechanics. In 2003 the name was changed back to the Department of Aerospace Engineering.

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  • Department of Aerospace Engineering and Engineering Mechanics (1990-2003)

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Strain-induced phase transformations (PTs) under high-pressure differ fundamentally from the pressure-induced PTs under quasihydrostatic conditions. A model and finite-element approach to strain-induced PTs under compression and torsion of a sample in rotational diamond anvil cell are developed. The current paper is devoted to the numerical study of strain-induced PTs under compression in traditional diamond anvils while the accompanying paper [ V. I. Levitas and O. M. Zarechnyy Phys. Rev. B 82 174124 (2010)] is concerned with compression and torsion in rotational anvils. Very heterogeneous fields of stress tensor, accumulated plastic strain, and concentration of the high-pressure phase are determined for three ratios of yield strengths of low-pressure and high-pressure phases. PT kinetics depends drastically on the yield strengths ratios. For a stronger high-pressure phase, an increase in strength during PT increases pressure and promotes PT, serving as a positive mechanochemical feedback; however, maximum pressure in a sample is much larger than required for PT. For a weaker high-pressure phase, strong strain and high-pressure phase localization and irregular stress fields are obtained. Various experimentally observed effects are reproduced and interpreted. Obtained results revealed difficulties in experimental characterization of strain-induced PTs and suggested some ways to overcome them.


This article is from Physical Review B 82 (2010): 174123, doi:10.1103/PhysRevB.82.174123. Posted with permission.

Fri Jan 01 00:00:00 UTC 2010