Coexistence pressure for a martensitic transformation from theory and experiment: Revisiting the bcc-hcp transition of iron under pressure

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2015-05-12
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Johnson, Duane
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Materials Science and Engineering
Materials engineers create new materials and improve existing materials. Everything is limited by the materials that are used to produce it. Materials engineers understand the relationship between the properties of a material and its internal structure — from the macro level down to the atomic level. The better the materials, the better the end result — it’s as simple as that.
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Ames National LaboratoryMaterials Science and Engineering
Abstract

The coexistence pressure of two phases is a well-defined point at fixed temperature. In experiment, however, due to nonhydrostatic stresses and a stress-dependent potential energy barrier, different measurements yield different ranges of pressure with a hysteresis. Accounting for these effects, we propose an inequality for comparison of the theoretical value to a plurality of measured intervals. We revisit decades of pressure experiments on the bcc↔hcp transformations in iron, which are sensitive to nonhydrostatic conditions and sample size. From electronic-structure calculations, we find a bcc↔hcp coexistence pressure of 8.4GPa. We construct the equation of state for competing phases under hydrostatic pressure, compare to experiments and other calculations, and address the observed pressure hysteresis and range of onset pressures of the nucleating phase.

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This article is from Physical Review B 91 (2015): 174104, doi:10.1103/PhysRevB.91.174104. Posted with permission.

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Thu Jan 01 00:00:00 UTC 2015
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