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Title: High temperature neutron diffraction investigation of U3Si2

Abstract

The U-Si system is actively undergoing studies due to its promise as a component of an accident tolerant nuclear fuel. In this work, the crystal structure of the U3Si2 compound in the U-Si system was investigated as a function of temperature from room temperature to 1298 K for a sample of approximately 42.02 at.% Si composition and 1373 K for a sample with approximately 42.10 at.% Si using high temperature time-of-flight neutron diffraction on the High-Pressure Preferred Orientation (HIPPO) diffractometer at Los Alamos Neutron Science Center (LANSCE). The simultaneous Rietveld refinement of five histograms from the five HIPPO detector backs (40°, 60°, 90°, 120°, and 145°) provided datasets for the lattice parameters, anisotropic atomic displacement parameters, and atomic positions as a function of temperature. To explore the possibility of a homogeneity range, two sample compositions were analyzed, a 40.02 at.% Si (near stoichiometric) and a potentially hyperstoichiometric (40.10 at.% Si) sample. While minor differences in the anisotropic atomic displacement parameters between the two samples were observed, over the entire investigated temperature range no additional phases were found indicative of a single phase sample and the ability of the U3Si2 compound to accommodate nonstoichiometry, suggesting that the U3Si2 compound is notmore » a line compound confirming previous determinations. However, the differences observed in the average coefficient of linear thermal expansion identified between the two compositions warrant future investigation.« less

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3];  [4]
  1. Univ. of South Carolina, Columbia, SC (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Texas at San Antonio, TX (United States)
  4. Univ. of South Carolina, Columbia, SC (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Nuclear Energy (NE), Fuel Cycle Technologies (NE-5); USNRC
OSTI Identifier:
1605126
Alternate Identifier(s):
OSTI ID: 1581685
Report Number(s):
LA-UR-19-27352; LA-UR-18-28584
Journal ID: ISSN 2589-1529
Grant/Contract Number:  
89233218CNA000001; 89233218NCA000001
Resource Type:
Accepted Manuscript
Journal Name:
Materialia
Additional Journal Information:
Journal Volume: 9; Journal Issue: C; Journal ID: ISSN 2589-1529
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Uranium silicide; Crystallography; Anisotropy; Time-of-flight neutron diffraction; U3Si2

Citation Formats

Wilson, Tashiema Lixona, Vogel, Sven C., White, Joshua Taylor, Andersson, Anders David Ragnar, Sooby-Wood, Elizabeth, and Besmann, Theodore Martin. High temperature neutron diffraction investigation of U3Si2. United States: N. p., 2019. Web. https://doi.org/10.1016/j.mtla.2019.100580.
Wilson, Tashiema Lixona, Vogel, Sven C., White, Joshua Taylor, Andersson, Anders David Ragnar, Sooby-Wood, Elizabeth, & Besmann, Theodore Martin. High temperature neutron diffraction investigation of U3Si2. United States. https://doi.org/10.1016/j.mtla.2019.100580
Wilson, Tashiema Lixona, Vogel, Sven C., White, Joshua Taylor, Andersson, Anders David Ragnar, Sooby-Wood, Elizabeth, and Besmann, Theodore Martin. Sat . "High temperature neutron diffraction investigation of U3Si2". United States. https://doi.org/10.1016/j.mtla.2019.100580. https://www.osti.gov/servlets/purl/1605126.
@article{osti_1605126,
title = {High temperature neutron diffraction investigation of U3Si2},
author = {Wilson, Tashiema Lixona and Vogel, Sven C. and White, Joshua Taylor and Andersson, Anders David Ragnar and Sooby-Wood, Elizabeth and Besmann, Theodore Martin},
abstractNote = {The U-Si system is actively undergoing studies due to its promise as a component of an accident tolerant nuclear fuel. In this work, the crystal structure of the U3Si2 compound in the U-Si system was investigated as a function of temperature from room temperature to 1298 K for a sample of approximately 42.02 at.% Si composition and 1373 K for a sample with approximately 42.10 at.% Si using high temperature time-of-flight neutron diffraction on the High-Pressure Preferred Orientation (HIPPO) diffractometer at Los Alamos Neutron Science Center (LANSCE). The simultaneous Rietveld refinement of five histograms from the five HIPPO detector backs (40°, 60°, 90°, 120°, and 145°) provided datasets for the lattice parameters, anisotropic atomic displacement parameters, and atomic positions as a function of temperature. To explore the possibility of a homogeneity range, two sample compositions were analyzed, a 40.02 at.% Si (near stoichiometric) and a potentially hyperstoichiometric (40.10 at.% Si) sample. While minor differences in the anisotropic atomic displacement parameters between the two samples were observed, over the entire investigated temperature range no additional phases were found indicative of a single phase sample and the ability of the U3Si2 compound to accommodate nonstoichiometry, suggesting that the U3Si2 compound is not a line compound confirming previous determinations. However, the differences observed in the average coefficient of linear thermal expansion identified between the two compositions warrant future investigation.},
doi = {10.1016/j.mtla.2019.100580},
journal = {Materialia},
number = C,
volume = 9,
place = {United States},
year = {2019},
month = {12}
}