Equation of state for technetium from X-ray diffraction and first-principle calculations

Mast, Daniel S.; Kim, Eunja; Siska, Emily M.; Poineau, Frederic; Czerwinski, Kenneth R.; Lavina, Barbara; Forster, Paul M.

doi:10.1016/j.jpcs.2016.03.007

Title: Equation of state for technetium from X-ray diffraction and first-principle calculations

Journal Article · Sun Mar 20 00:00:00 EDT 2016 · Journal of Physics and Chemistry of Solids

DOI:https://doi.org/10.1016/j.jpcs.2016.03.007· OSTI ID:1332762

Mast, Daniel S. ^[1]; Kim, Eunja ^[1]; Siska, Emily M. ^[1]; Poineau, Frederic ^[1]; Czerwinski, Kenneth R. ^[1]; Lavina, Barbara ^[1]; Forster, Paul M. ^[1]

Univ. of Nevada, Las Vegas, NV (United States)

Here, the ambient temperature equation of state (EoS) of technetium metal has been measured by X-ray diffraction. The metal was compressed using a diamond anvil cell and using a 4:1 methanol-ethanol pressure transmitting medium. The maximum pressure achieved, as determined from the gold pressureEquation of state for technetium from X-ray diffraction and first-principle calculations scale, was 67 GPa. The compression data shows that the HCP phase of technetium is stable up to 67 GPa. The compression curve of technetium was also calculated using first-principles total-energy calculations. Utilizing a number of fitting strategies to compare the experimental and theoretical data it is determined that the Vinet equation of state with an ambient isothermal bulk modulus of B_0T=288 GPa and a first pressure derivative of B'=5.9(2) best represent the compression behavior of technetium metal.

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Research Organization:: Univ. of Nevada, Las Vegas, NV (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0001982; AC04-94AL85000; #DE-NA0001982; NA0001974; FG02-99ER45775; AC02-06CH11357

OSTI ID:: 1332762

Alternate ID(s):: OSTI ID: 1333840; OSTI ID: 1359445

Report Number(s):: SAND-2015-0656J; PII: S0022369716300506

Journal Information:: Journal of Physics and Chemistry of Solids, Vol. 95, Issue C; ISSN 0022-3697

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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Cited By (2)

Reverse-martensitic hcp-to-fcc transformation in technetium under shock compression Kim, Eunja; Weck, Philippe F.; Mattsson, Thomas R. Journal of Applied Physics, Vol. 124, Issue 3 https://doi.org/10.1063/1.5040148	journal	July 2018
Zero-Kelvin Compression Isotherms of the Elements 1 ≤ Z ≤ 92 to 100 GPa Young, David A.; Cynn, Hyunchae; Söderlind, Per Journal of Physical and Chemical Reference Data, Vol. 45, Issue 4 https://doi.org/10.1063/1.4963086	journal	December 2016

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Title: Equation of state for technetium from X-ray diffraction and first-principle calculations

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