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At least 1,027 records · Page 57

Multigroup Examination of Nickel-Reflected HEU System

Critical configurations of HEU-MET-FAST-003 (HMF-003) from the International Criticality Safety Benchmark Evaluation Project Handbook were modeled for addition into the Verified, Archived Library of Inputs and Data maintained at Oak Ridge National Laboratory. HMF-003 contains models of a highly enriched uranium sphere with a spherical metal reflector of natural uranium, tungsten carbide, or nickel. For these simple models, good agreement is expected between the k eff calculated with continuous-energy (CE) and multigroup (MG) transport. However, using the CSAS5 sequence of the SCALE 6.2.4 package, the 8 in. thick nickel reflector model resulted in a difference of around 1.2 % Δ k . Results presented a clear indication of poor performance for the SCALE 252-group based on ENDF/B-VII.1 cross section library for this model. The bias was investigated over a range of nickel thickness and then compared with other MG libraries available in SCALE 6.2.4. As the nickel thickness increases, the MG k eff deviates from the CE result, confirming a performance issue with the MG calculation. Additionally, the reactions were compared between the two libraries to help determine the cause of k eff bias. Finally, additional MG libraries within SCALE 6.3 and based on ENDF/B-VII.1 and ENDF/B-VIII were reviewed. The 302-group and 1597-group result in significant improvements compared with the 252-group library. Nickel cross sections were modified from ENDF/B-VII.1 to ENDF/B-VIII. For the ENDF/B-VIII library, the deviation between the CE libraries and MG libraries is less pronounced than for ENDF/VII.1, except for the 1597-group. This examination clearly indicates the importance of validating calculations with applicable benchmark experiments and caution when using MG libraries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Micromechanical Properties of the SiC and Pyrolytic Carbon Layers in Tristructural-Isotropic Coated Particles

Tristructural isotropic (TRISO) coated particle fuel was initially developed for high temperature gas cooled reactors (HTGR) and has been proposed for several other advanced reactor concepts. The design of TRISO particles focuses on preventing the release of fission products in normal and off-normal reactor conditions. The particle design features an actinide bearing fuel kernel that is surrounded by three pyrolytic carbon (PyC) layers and a silicon carbide layer (SiC). The mechanical stability of the particle and fission product retention for both metallic and gaseous fission products depend on the SiC layer. Post irradiation examination (PIE) of TRISO fuel from the first two US DOE Advanced Gas Reactor Fuel Development and Qualification Program irradiation campaigns, AGR-1 and AGR-2, had identified a low rate of particles exhibiting cracking in the SiC layer that did not propagate across the SiC layer. While cracking in the SiC is rare for test conditions and particles associated with the AGR program, understanding the stress state and mechanical properties of the SiC and PyC layers related to particle architecture can aid predicting thermomechanical response of TRISO fuel under the prescribed operation envelope and beyond as well as aiding in the development of similar fuel concepts for other advanced reactors. The presented investigation shows the relationship of the mechanical properties and mechanical response (e.g., understanding crack propagation) of the SiC and PyC layers relative to position within the particle. Testing was conducted on the inner and outer PyC layers of TRISO particles to quantify differences in mechanical behavior.

Montoya, Katherine [ORNL] (ORCID:0000000326955086)↗

Photoluminescence and Raman spectroscopy of wide bandgap semiconductors damaged by deep-UV laser irradiation

The effects of a pulsed, focused, deep-UV (4.66 eV) laser on wide and ultra-wide bandgap semiconductors were investigated with photoluminescence (PL) and Raman spectroscopy. Three semiconductor single crystals were studied: silicon carbide (6H-SiC), gallium nitride (GaN), and gallium oxide (β-Ga 2 O 3 ). Atomic emission lines from neutral Ga or Si were observed during the laser-damage process. For all three semiconductors, PL mapping (3.49 eV laser excitation) of the damaged material revealed visible emission bands in the 2.6–2.8 eV range, attributed to point defects. Raman spectra (2.33 eV excitation) showed a reduction in the Raman peak intensities in the damaged region, along with weak PL bands around 1.9–2.1 eV.

36 MATERIALS SCIENCE↗

Coupled surface plasmon–phonon polariton nanocavity arrays for enhanced mid-infrared absorption

Abstract Resonant optical cavities are essential components in mid-infrared applications. However, typical film-type cavities require multilayer stacks with a micron-thick spacer due to mid-infrared wavelengths, and their performance is limited by narrow frequency tunability and angular sensitivity. We propose and experimentally demonstrate the subwavelength-scale (≈ λ 0 /150) resonant nanocavity arrays that enhance the absorption spectrum of the device in the mid-infrared (10–12 microns) via excitation of coupled surface plasmon–phonon polaritons. The proposed metal–insulator–polar dielectric (gold–silicon–silicon carbide) structure supports a guided mode of the coupled surface polaritons in the lateral direction while vertically confining the mid-infrared wave within the 80 nm thick dielectric spacer. In particular, the subwavelength-scale (≈ λ 0 /10) gratings are imposed to form Fabry–Pérot cavity arrays displaying angle-insensitive and frequency-tunable absorption of up to 80% of the optical power in the mid-infrared. Our work should benefit diverse mid-infrared applications and novel designs of polariton-based photonic devices.

42 ENGINEERING↗

Seeing through nuclear fuel: Three-dimensional, nondestructive X-ray microscopy and volumetric analyses of neutron-irradiated TRISO-coated fuel kernels

The three-dimensional (3D) characterization of nuclear fuel with X-ray microscopy has historically proven difficult, due to uranium’s high attenuation of easily accessible X-rays, both in a laboratory setting and at a synchrotron user facility. However, this imaging modality provides nondestructive information that can be used to investigate morphological changes arising from external stimuli (e.g., neutron irradiation, high-temperature testing). Using an appropriate X-ray energy spectrum and an adequate X-ray filter, suitable transmissions through properly sized nuclear fuel specimens can be achieved. Here, in this study, we present the methods and results of using a commercially available, laboratory-based X-ray microscope (XRM) to examine the extent of 3D morphological changes of tristructural isotropic (TRISO)-coated fuel particles, specifically uranium oxide/uranium carbide fuel kernels, after high-temperature neutron irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Materials Data on ScTe by Materials Project

ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–Te bond lengths are 2.96 Å. Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted corner and edge-sharing TeSc6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on TiSe by Materials Project

TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.

36 MATERIALS SCIENCE↗

Materials Data on RuC by Materials Project

RuC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent C4- atoms to form a mixture of distorted corner, edge, and face-sharing RuC6 pentagonal pyramids. All Ru–C bond lengths are 2.16 Å. C4- is bonded to six equivalent Ru4+ atoms to form a mixture of distorted corner, edge, and face-sharing CRu6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on TiAs by Materials Project

TiAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–As bond lengths are 2.61 Å. As3- is bonded to six equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing AsTi6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on SbIr by Materials Project

IrSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner, edge, and face-sharing IrSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ir–Sb bond lengths are 2.73 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on MnSe by Materials Project

MnSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Mn–Se bond lengths are 2.68 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on VTe by Materials Project

TeV is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing VTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All V–Te bond lengths are 2.82 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent V2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TmTe by Materials Project

TmTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Te atoms to form a mixture of distorted edge and corner-sharing TmTe6 pentagonal pyramids. All Tm–Te bond lengths are 3.07 Å. Te is bonded to six equivalent Tm atoms to form a mixture of edge, face, and corner-sharing TeTm6 octahedra. The corner-sharing octahedral tilt angles are 45°.

36 MATERIALS SCIENCE↗

Materials Data on VP by Materials Project

VP1 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V3+ is bonded to six equivalent P3- atoms to form a mixture of face, edge, and corner-sharing VP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–P bond lengths are 2.40 Å. P3- is bonded to six equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing PV6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on AlAs by Materials Project

AlAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing AlAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Al–As bond lengths are 2.65 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZrP by Materials Project

ZrP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six P3- atoms to form a mixture of edge, face, and corner-sharing ZrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.59 Å) and three longer (2.73 Å) Zr–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing PZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra.

36 MATERIALS SCIENCE↗

Materials Data on La2C3 by Materials Project

La2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine equivalent C2- atoms. There are a spread of La–C bond distances ranging from 2.70–3.00 Å. C2- is bonded in a 5-coordinate geometry to six equivalent La3+ and one C2- atom. The C–C bond length is 1.33 Å.

36 MATERIALS SCIENCE↗

Materials Data on FeN by Materials Project

FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.

36 MATERIALS SCIENCE↗