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DOE OSTI · 1558934

Thermoelasticity Model for Niobium

Burakovsky, Leonid·Baty, Samuel R.·Preston, Dean Laverne·Sjue, Sky K.·Luscher, Darby Jon
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Abstract

Niobium is a polymorphic (multi-phase) material. Its phase diagram contains two experimentally confirmed solid phases, body-centered cubic (bcc) and orthorhombic Pnma, and is shown in Figs. 1 and 2. The bcc–Pnma phase boundary was determined in a recent work that combines experimental study by Errandonea et al. using laser-heated diamond anvil cell (DAC) and the theoretical calculation of the total free energies of both solid structures using the temperature dependent effective potential (TDEP) method which takes into account anharmonic lattice vibrations.

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36 MATERIALS SCIENCE

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Burakovsky, Leonid, Baty, Samuel R., Preston, Dean Laverne, Sjue, Sky K., Luscher, Darby Jon. 2019-08-21. Thermoelasticity Model for Niobium. https://doi.org/10.2172/1558934

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