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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Identification and time evolution of thionyl chloride (SOCl 2 ) radiolysis products

In this study, innovative solutions are needed to reduce the amount of high-level waste generated by used nuclear fuel recycling strategies to support the widespread adoption of sustainable nuclear fission energy technologies. To this end, a new sulfur chloride-based process has been developed to recycle zirconium alloy-based materials, which make up a significant fraction of high-level radioactive waste. To support the continued development of this process, we present new data on the potential reaction pathways over time of the products arising from the gamma and electron beam radiolysis of neat thionyl chloride (SOCl 2 ). Interrogation of the gamma irradiated liquid by Raman spectroscopy provided more conclusive identification of the SOCl 2 degradation products, specifically sulfur dichloride (SCl 2 ), molecular chlorine (Cl 2 ), sulfur dioxide (SO 2 ), and sulfuryl chloride (SO 2 Cl 2 ). In comparison, the high dose rate (~10 7 Gy s -1 ) electron beam irradiations formed significantly more degradation products. For both cobalt-60 gamma and electron beam irradiations, the observed degradation products were found to evolve as a function of time post-irradiation via the same reaction pathways, with indication of a solvent regeneration mechanism. These findings are fortuitous for process development, as such a mechanism would be beneficial for process longevity and cost effectiveness.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Design and Evaluation of a Ring Tension Test Grip for Remote Mechanical Testing of Irradiated Tubular Specimens

Here, the ring tension test (RTT) is a mechanical testing method for determining bulk mechanical behavior in the circumferential or hoop direction for tubular materials. The test is especially useful for testing materials with anisotropic mechanical properties, such as zirconium alloys, which are commonly used as nuclear fuel cladding. Anisotropy requires direction-specific testing to determine the hoop strength. Historically, several RTT methods and grips have been used, each method has its strengths and weaknesses, and, in all cases, the measured strength is subject to uncertainty due to variations of the testing geometry and experimental tolerances. Recent analysis has shown that grips with a hemicylindrical mandrel configuration are recommended as the most robust configuration. The two strictest aspects to be controlled are the ability to determine gage region orientation and closely matching the size of the mandrels to the test specimen. This last requirement is particularly challenging when the dimensions of the specimen vary because of environmental effects such as dimensional changes due to irradiation. This paper presents a new RTT grip designed to incorporate this mandrel shape, hold the gage at the desired orientation, be suitable for remote operation in a hot-cell environment, and be adaptable for different sizes or variations in the specimen size. The general description and the unique design features of the test specimen and grips are given in detail. The performance of the grips in mechanical testing, including in a remote hot-cell environment, is also provided.

42 ENGINEERING↗
DOE OSTI2020

Microstructure study of U–35 wt.% Zr alloy after quick annealing at 650 °C

Uranium-35wt.%zirconium (U-35wt.%Zr) alloy was annealed for 1 hour and 24 hours at 650 ºC and characterized to understand the early stage microstructure evolution. Dendritic microstructure with fine (~300 nm in length) α-U precipitates clustered between dendrite branches were observed in the 1-hour annealed sample. After 24-hour annealing 650 ºC, the α-U precipitates coarsened, and the dendritic microstructure disappeared due to microstructure homogenization. Furthermore, microchemical homogenization observed with Energy-Dispersive X-ray Spectroscopy analysis suggests that α-U precipitates are approaching thermodynamic equilibrium in the 24-hour annealed sample. The findings from this study have potential impacts on the manufacturing and computer modeling of metallic nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Analyzing the effect of pressure on the properties of point defects in $\gamma\mathrm{U–Mo}$ through atomistic simulations

Uranium–molybdenum (U–Mo) alloys in monolithic fuel foil are the primary candidate for the conversion of high-performance research reactors in the USA. Monolithic fuel is utilized in a plate-type design with a zirconium diffusion barrier and aluminum cladding. These fuel types are unique in that they contain no plenum for the release of fission gases, which, in conjunction with the aluminum cladding, can lead to large stress states within the fuel. The nature of how fundamental processes of radiation damage, including the evolution of point defects, under such stresses occur is unknown. In this work, we present molecular dynamics simulations of the formation energy of point defects under applied stress. We report this work will allow for the implementation of stress-dependent microstructural evolution models of nuclear fuels, including those for both fission gas bubble growth and creep, which are critical to ensure the stable and predictable behavior of research reactor fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Materials Data on ScGe2 by Materials Project

ScGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.81–3.08 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSi2 by Materials Project

HfSi2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Hf–Si bond distances ranging from 2.70–2.96 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to six equivalent Hf and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGe2 by Materials Project

UGe2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of U–Ge bond distances ranging from 2.92–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSn2 by Materials Project

NdSn2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.26–3.59 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.23 Å. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent Sn atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSn2 by Materials Project

YSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Y and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGe2 by Materials Project

TmGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.91–3.20 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Tm and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGe2 by Materials Project

HfGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.78–3.13 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Hf and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSi2 by Materials Project

ZrSi2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Zr–Si bond distances ranging from 2.72–2.99 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to six equivalent Zr and two equivalent Si atoms. Both Si–Si bond lengths are 2.43 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag2Te by Materials Project

Ag2Te is Zirconium Disilicide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to six Ag1+ and four equivalent Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.88–3.15 Å. There are a spread of Ag–Te bond distances ranging from 2.90–3.17 Å. In the second Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four equivalent Te2- atoms. The Ag–Ag bond length is 2.97 Å. There are a spread of Ag–Te bond distances ranging from 2.89–3.04 Å. Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Th–Ge bond distances ranging from 3.07–3.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Th–Ge bond distances ranging from 3.07–3.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGe2 by Materials Project

UGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of U–Ge bond distances ranging from 2.95–3.19 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySn2 by Materials Project

DySn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.16–3.46 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSn2 by Materials Project

ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sc–Sn bond distances ranging from 3.06–3.34 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.03 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms.

36 MATERIALS SCIENCE↗