Bulk moduli and high pressure crystal structure of U3Si2

Xiaofeng Guo; Xujie Lü; Joshua T. White; Chris J. Benmore; Andrew T. Nelson; Robert C. Roback; Hongwu Xu

doi:10.1016/j.jnucmat.2019.06.006

Bulk moduli and high pressure crystal structure of U₃Si₂

Xiaofeng Guo, Xujie Lü, Joshua T. White, Chris J. Benmore, Andrew T. Nelson, Robert C. Roback, Hongwu Xu

Nuclear Energy and Fuel Cycle Division

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

Bulk moduli are important parameters to assess the mechanical performance of materials including nuclear fuels. However, little experimental data exist for U₃Si₂, a potential accident-tolerant nuclear fuel, whose bulk modulus has only been measured by resonant ultrasonic spectroscopy (RUS). In addition, the knowledge for high-pressure structural behavior and phase equilibrium of U₃Si₂ is largely lacking. Here we studied pressure dependence of the crystal structure of U₃Si₂ using high-energy synchrotron X-ray diffraction coupled with Rietveld analysis. The pressurization was achieved using a diamond anvil cell (DAC) which provides quasi-hydrostatic pressures up to 37.6 GPa. Crystal structural variation and equations of state of U₃Si₂ were obtained, and its bulk modulus, a- and c-axial moduli were derived to be 107.11 ± 5.65 GPa, 82.87 ± 4.78 GPa and 194.52 ± 12.03 GPa, respectively. The determined elastic parameters are compared with those obtained by RUS and nanoindentation.

Original language	English
Pages (from-to)	135-142
Number of pages	8
Journal	Journal of Nuclear Materials
Volume	523
DOIs	https://doi.org/10.1016/j.jnucmat.2019.06.006
State	Published - Sep 2019

Funding

Research presented in this article was supported by the Laboratory Directed Research and Development (LDRD) program of Los Alamos National Laboratory (LANL) under project number 20180007 DR. X.G. acknowledges the support through a LANL Seaborg postdoctoral fellowship and, later, the institutional funds from the Department of Chemistry at Washington State University . LANL, an affirmative action/equal opportunity employer, is managed by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract 89233218CNA000001 . This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357 .

Keywords

Bulk modulus
Diamond anvil cell
High pressure
Synchrotron X-ray diffraction
Uranium silicide

Access to Document

10.1016/j.jnucmat.2019.06.006

Cite this

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title = "Bulk moduli and high pressure crystal structure of U3Si2 ",

abstract = "Bulk moduli are important parameters to assess the mechanical performance of materials including nuclear fuels. However, little experimental data exist for U3Si2, a potential accident-tolerant nuclear fuel, whose bulk modulus has only been measured by resonant ultrasonic spectroscopy (RUS). In addition, the knowledge for high-pressure structural behavior and phase equilibrium of U3Si2 is largely lacking. Here we studied pressure dependence of the crystal structure of U3Si2 using high-energy synchrotron X-ray diffraction coupled with Rietveld analysis. The pressurization was achieved using a diamond anvil cell (DAC) which provides quasi-hydrostatic pressures up to 37.6 GPa. Crystal structural variation and equations of state of U3Si2 were obtained, and its bulk modulus, a- and c-axial moduli were derived to be 107.11 ± 5.65 GPa, 82.87 ± 4.78 GPa and 194.52 ± 12.03 GPa, respectively. The determined elastic parameters are compared with those obtained by RUS and nanoindentation.",

keywords = "Bulk modulus, Diamond anvil cell, High pressure, Synchrotron X-ray diffraction, Uranium silicide",

author = "Xiaofeng Guo and Xujie L{\"u} and White, {Joshua T.} and Benmore, {Chris J.} and Nelson, {Andrew T.} and Roback, {Robert C.} and Hongwu Xu",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

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doi = "10.1016/j.jnucmat.2019.06.006",

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AU - Guo, Xiaofeng

AU - Lü, Xujie

AU - White, Joshua T.

AU - Benmore, Chris J.

AU - Nelson, Andrew T.

AU - Roback, Robert C.

AU - Xu, Hongwu

PY - 2019/9

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AB - Bulk moduli are important parameters to assess the mechanical performance of materials including nuclear fuels. However, little experimental data exist for U3Si2, a potential accident-tolerant nuclear fuel, whose bulk modulus has only been measured by resonant ultrasonic spectroscopy (RUS). In addition, the knowledge for high-pressure structural behavior and phase equilibrium of U3Si2 is largely lacking. Here we studied pressure dependence of the crystal structure of U3Si2 using high-energy synchrotron X-ray diffraction coupled with Rietveld analysis. The pressurization was achieved using a diamond anvil cell (DAC) which provides quasi-hydrostatic pressures up to 37.6 GPa. Crystal structural variation and equations of state of U3Si2 were obtained, and its bulk modulus, a- and c-axial moduli were derived to be 107.11 ± 5.65 GPa, 82.87 ± 4.78 GPa and 194.52 ± 12.03 GPa, respectively. The determined elastic parameters are compared with those obtained by RUS and nanoindentation.

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