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Results for “URANIUM HEXAFLUORIDE”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Comparison of gamma-ray spectral analysis methods for thick-walled UF 6 cylinders

Three data analysis methods were compared for gamma ray spectra collected by planar and coaxial high-purity germanium detectors (HPGe) on thick-walled uranium hexafluoride cylinders. The cylinder contents range from natural to low-enriched uranium (4.95% 235 U). Each spectrum was analyzed with the traditional 185.7 keV enrichment meter method, a 185.7/1001 keV ratio method, and the Fixed Energy Response Function Analysis with Multiple Efficiency (FRAM) software that utilizes low- and high-energy gamma rays and X-rays. When results for all cylinders were compared, the enrichment meter method and the 185.7/1001 keV peak ratio method consistently provided the most accurate data for all detector types. The error on the enrichment calculations analyzed with FRAM did not meet the international target value whereas those calculated with the enrichment meter and ratio method did. Enrichments calculated by FRAM were found to skew to higher values on natural uranium and to lower values on low-enriched uranium. FRAM calculated the least-precise enrichments; replicate analyses of single cylinders resulted in 235 U values that varied by as much as 19%. FRAM does have the significant advantages in that it does not require the use of calibration cylinders, infinite thickness criteria are not necessary, and it can be applied to any HPGe detector. Finally, if calibration cylinders are available, the enrichment meter and 185.7/1001 peak ratio are the recommended methods as they are the most accurate and precise.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

In-Field Alpha Spectrometer Development FY2022 Mid-Year Report

In response to needs identified by the International Atomic Energy Agency (IAEA), Idaho National Laboratory (INL) has developed an In-Field Alpha Spectrometer (IFAS) to allow IAEA safeguards inspectors to collect samples of uranium hexafluoride (UF 6 ) at processing facilities, to perform field assessments to verify uranium enrichment. For sample collection, the IFAS method uses Single-Use Destructive Assay (SUDA) samplers, developed at Pacific Northwest National Laboratory (PNNL), which contain thin zeolite coatings that trap UF6 gas and convert it to the safer, more stable form uranyl fluoride (as a dihydrate, UO 2 F 2 ·2H 2 O). For alpha spectrometry, the IFAS instrument employs a large area silicon semiconductor transducer to detect and record alpha particle energy-deposition events. Over the course of this project INL, PNNL, Oak Ridge National Laboratory worked to optimize the SUDA sample design for alpha spectrometry, to optimize processes for manufacturing, loading, and shipping SUDA samples, and to allow the measurement of loaded SUDA samples. In fiscal year (FY) 2022 INL has bene investigating the reproducibility and measurement precision of IFAS measurements and the associated determination of uranium enrichment.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
NASA NTRS1975

Plasma core reactor simulations using RF uranium seeded argon discharges

An experimental investigation was conducted using the United Technologies Research Center (UTRC) 80 kW and 1.2 MW RF induction heater systems to aid in developing the technology necessary for designing a self-critical fissioning uranium plasma core reactor (PCR). A nonfissioning, steady-state RF-heated argon plasma seeded with pure uranium hexafluoride (UF6) was used. An overall objective was to achieve maximum confinement of uranium vapor within the plasma while simultaneously minimizing the uranium compound wall deposition. Exploratory tests were conducted using the 80 kW RF induction heater with the test chamber at approximately atmospheric pressure and discharge power levels on the order of 10 kW. Four different test chamber flow configurations were tested to permit selection of the configuration offering the best confinement characteristics for subsequent tests at higher pressure and power in the 1.2 MW RF induction heater facility.

Roman, W. C.↗
NASA NTRS1976

Laboratory-scale uranium RF plasma confinement experiments

An experimental investigation was conducted using 80 kW and 1.2 MW RF induction heater facilities to aid in developing the technology necessary for designing a self-critical fissioning uranium plasma core reactor. Pure uranium hexafluoride (UF6) was injected into argon-confined, steady-state, RF-heated plasmas in different uranium plasma confinement tests to investigate the characteristics of plamas core nuclear reactors. The objectives were: (1) to confine as high a density of uranium vapor as possible within the plasma while simultaneously minimizing the uranium compound wall deposition; (2) to develop and test materials and handling techniques suitable for use with high-temperature, high-pressure gaseous UF6; and (3) to develop complementary diagnostic instrumentation and measurement techniques to characterize the uranium plasma and residue deposited on the test chamber components. In all tests, the plasma was a fluid-mechanically-confined vortex-type contained within a fused-silica cylindrical test chamber. The test chamber peripheral wall was 5.7 cm ID by 10 cm long.

Roman, W. C.↗
NASA NTRS1980

Argon/UF6 plasma experiments: UF6 regeneration and product analysis

An experimental and analytical investigation was conducted to aid in developing some of the technology necessary for designing a self-critical fissioning uranium plasma core reactors (PCR). This technology is applicable to gaseous uranium hexafluoride nuclear-pumped laser systems. The principal equipment used included 1.2 MW RF induction heater, a d.c. plasma torch, a uranium tetrafluoride feeder system, and batch-type fluorine/UF6 regeneration systems. Overall objectives were to continue to develop and test materials and handling techniques suitable for use with high-temperature, high-pressure, gaseous UF6; and to continue development of complementary diagnostic instrumentation and measurement techniques to characterize the effluent exhaust gases and residue deposited on the test chamber and exhaust system components. Specific objectives include: a development of a batch-type UF6 regeneration system employing pure high-temperature fluorine; development of a ruggedized time-of-flight mass spectrometer and associated data acquisition system capable of making on-line concentration measurements of the volatile effluent exhaust gas species in a high RF environment and corrosive environment of UF6 and related halide compounds.

Roman, W. C.↗
NASA NTRS1979

High temperature UF6 RF plasma experiments applicable to uranium plasma core reactors

An investigation was conducted using a 1.2 MW RF induction heater facility to aid in developing the technology necessary for designing a self critical fissioning uranium plasma core reactor. Pure, high temperature uranium hexafluoride (UF6) was injected into an argon fluid mechanically confined, steady state, RF heated plasma while employing different exhaust systems and diagnostic techniques to simulate and investigate some potential characteristics of uranium plasma core nuclear reactors. The development of techniques and equipment for fluid mechanical confinement of RF heated uranium plasmas with a high density of uranium vapor within the plasma, while simultaneously minimizing deposition of uranium and uranium compounds on the test chamber peripheral wall, endwall surfaces, and primary exhaust ducts, is discussed. The material tests and handling techniques suitable for use with high temperature, high pressure, gaseous UF6 are described and the development of complementary diagnostic instrumentation and measurement techniques to characterize the uranium plasma, effluent exhaust gases, and residue deposited on the test chamber and exhaust system components is reported.

Roman, W. C.↗
NASA NTRS1991

Vapor core propulsion reactors

Many research issues were addressed. For example, it became obvious that uranium tetrafluoride (UF4) is a most preferred fuel over uranium hexafluoride (UF6). UF4 has a very attractive vaporization point (1 atm at 1800 K). Materials compatible with UF4 were looked at, like tungsten, molybdenum, rhenium, carbon. It was found that in the molten state, UF4 and uranium attacked most everything, but in the vapor state they are not that bad. Compatible materials were identified for both the liquid and vapor states. A series of analyses were established to determine how the cavity should be designed. A series of experiments were performed to determine the properties of the fluid, including enhancement of the electrical conductivity of the system. CFD's and experimental programs are available that deal with most of the major issues.

Diaz, Nils J.↗
NASA NTRS1976

Properties of radio-frequency heated argon confined uranium plasmas

Pure uranium hexafluoride (UF6) was injected into an argon confined, steady state, rf-heated plasma within a fused silica peripheral wall test chamber. Exploratory tests conducted using an 80 kW rf facility and different test chamber flow configurations permitted selection of the configuration demonstrating the best confinement characteristics and minimum uranium compound wall coating. The overall test results demonstrated applicable flow schemes and associated diagnostic techniques were developed for the fluid mechanical confinement and characterization of uranium within an rf plasma discharge when pure UF6 is injected for long test times into an argon-confined, high-temperature, high-pressure, rf-heated plasma.

Source record↗
DOE OSTI2024

Density functional theory (DFT) study of UF 6 hydrolysis: reaction pathways, spectroscopy, and chemical kinetics

Depleted uranium hexafluoride (UF 6 ), a stockpiled byproduct of the nuclear fuel cycle, reacts readily with atmospheric humidity, but the gas-phase reaction mechanism and associated chemical kinetics are poorly understood. During the performance period we undertook development of a state-of-the-art ab initio gas-phase chemical kinetics simulation workflow to model the hydrolysis of uranium hexafluroride (UF 6 ). In doing so, we addressed several outstanding issues in the theoretical treatment of uranium-containing systems. At the outset it was unclear how to generate accurate estimates of kinetic and thermodynamic data for U-containing chemical reactions. Generation of such data has been made routine. Prior to our work, the literature associated with UF 6 hydrolysis were disparate and inaccurate. This body of work provides a modern and comprehensive theoretical assessment of the reaction mechanism, molecular clustering towards deposition, and chemical kinetics. New methodological implementations and software integrations resulting from this work are also highlighted. As much as possible, our predictions were validated against experimental data including particle morphologies, vibrational spectroscopy, atomization enthalpies, and kinetic rate constants. Nevertheless, we were unable to reconcile kinetic measurements with high-accuracy simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Uranium measurements in the field using high-resolution cadmium zinc telluride detectors

A new generation of cadmium zinc telluride (CZT) detectors has become available and is being evaluated by the International Atomic Energy Agency (IAEA) for safeguards verifications in the field. The new CZT detector, model M400, is a room temperature spectrometer manufactured by H3D, Inc. The M400 demonstrates superior energy resolution, effective isotope identification capabilities, and convenient usability features when tested in a controlled laboratory environment. These characteristics define the M400 as a potential platform for IAEA field detection applications, which could become suitable for nuclear material characterization (e.g., enrichment verification) and nuclear safeguards missions. The capabilities of gamma spectrometry codes including Fixed energy, Response function Analysis with Multiple efficiencies (FRAM) from Los Alamos National Laboratory, CZT for Uranium (CZTU) from Lawrence Livermore National Laboratory, and Gamma Detector Response and Analysis Software (GADRAS) from Sandia National Laboratories were adapted for M400 spectra, and the performance of the codes has been validated. This was reported in a prior work. To further validate the performance of the high-energy resolution CZT detector and the isotopic analysis codes, a field measurement campaign consisting of uranium hexafluoride (UF 6 ) cylinder measurements was conducted at a fuel fabrication facility. A total of 34 Type 30B cylinders containing UF6 were measured using three different M400 CZT detectors. Each detector was outfitted with a custom rectangular collimator and shield made out T-Flex®, a tungsten-impregnated polymer. Measurements were performed at three different locations of the cylinder, ensuring that the measurement geometry satisfied the infinite thickness criterion. The spectra from the M400 CZT were analyzed using the code General Enrichment Meter (GEM). For analyzing the gamma-ray spectra from UF 6 cylinder, the GEM code is the appropriate tool since it relies only on the gamma-ray emissions from 235 U and not from other isotopes. Results from the spectral analysis were compared with the known abundance of 235 U in the cylinders, as well as with the International Target Values 2020 (ITV2020). The suitability of the different underlying techniques used by the various codes for UF 6 analysis is discussed. The challenges of measuring UF 6 contained in cylinders and mitigation strategies are highlighted.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules

A Cholesky decomposition (CD)-based implementation of relativistic two-component coupled-cluster (CC) and equation-of-motion CC (EOM-CC) methods using an exact two-component Hamiltonian augmented with atomic-mean-field integrals (the X2CAMF scheme) is reported. Furthermore, the present CD-based implementation of X2CAMF-CC and EOM-CC methods employs atomic-orbital-based algorithms to avoid the construction of two-electron integrals and intermediates involving three and four virtual indices. The CD-based implementation extends the applicability of X2CAMF-CC and EOMCC methods to medium-sized molecules with the correlation of around 1000 spinors. Benchmark calculations for uranium-containing small molecules have been performed to assess the dependence of CC results with respect to the Cholesky threshold. A Cholesky threshold of 10 –4 is shown to maintain chemical accuracy. Example calculations to illustrate the capability of the CD-based relativistic CC methods are reported for the bond dissociation energy of the uranium hexafluoride molecule, UF 6 , with up to quadruple-zeta basis sets and the lowest excitation energy in solvated uranyl ion [UO 2 2+ (H 2 O) 12 ].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

UO 2 F 2 particulate formation in an impinging jet gas reactor

Computational fluid dynamics (CFD), chemical kinetics, and aerosol dynamics were combined to model the formation of uranyl fluoride particles from the hydrolysis of uranium hexafluoride gas. This chemical process has been studied for many decades, however, detailed measurements of aerosol formation have only become available in the past few years which provide a basis for model comparison. Here, CFD simulations predicted complicated flow patterns in the impinging jet gas reactor. Aerosol formation simulations also predicted higher mass concentrations than were observed experimentally. This suggested that experimental data provided a partial representation which was subsequently enhanced by modeling and simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopy

Simulations are performed to consider several spectrometric and spectroscopic candidates for elucidating the mechanism of the hydrolysis of uranium hexafluoride (UF6). This study is among the first to benchmark the def-mTZVP basis sets for actinide-containing molecules, and it is shown to be a suitable basis set for surveying geometrical structures and vibrational spectra when used in conjunction with density functional theory. An experiment is proposed coupling mass spectrometric ion selection with vibrational spectroscopy, and supporting infrared and Raman spectral simulations demonstrate that ionization blue-shifts bands and can change their qualitative features. Ultraviolet resonance Raman is shown to have good prospects for discriminating U–O–U bridged intermediates, evidence for which was observed recently [L. E. McNamara et al., J. Phys. Chem. A 130, 775–786 (2026)]. As a more speculative approach, we also consider the prospect of addressing 233U or 235U nuclei by quadrupole resonance (NQR) spectroscopy for assigning early stage intermediate complexes. In doing so, we provide a first order-of-magnitude estimate for the collision-induced NQR signal for the UF6 dimer, which is of interest for the interpretation of a fast decoherence time observed in liquid-phase nuclear magnetic resonance. Having provided critical insights into the formation and stability of UF6 hydrolysis intermediates in previous studies, this computational spectroscopy survey is expected to help guide and expedite future laboratory campaigns.

Lutz, Jesse J. [Center for Computing Research, San↗
DOE OSTI2020

Materials Data on UF6 by Materials Project

UF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four uranium hexafluoride molecules. U6+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.02 Å) and one longer (2.03 Å) U–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF6 by Materials Project

UF6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four uranium hexafluoride molecules. U6+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.02 Å) and one longer (2.03 Å) U–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NF2)4 by Materials Project

UF6N2(NF)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, eight monofluoroamine molecules, and four uranium hexafluoride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of the 30B UF 6 Container for Use with Increased Enrichment

Commercial light-water reactor (LWR) operators and fuel vendors are pursuing advancements in fuel and reactor design that include increasing 235 U enrichment from low enrichment (<5 wt.% 235 U) to low-enriched uranium+ (LEU+) (10 wt.% > 235 U > 5 wt.%) and high-assay low-enriched uranium (HALEU) (20 wt.% > 235 U > 10 wt.%). These advancements will necessitate the ability to transport LEU+ and HALEU fuel materials. Assessment of Existing Transportation Packages for Use with HALEU(ORNL/TM-2020/1725) assesses the potential to use currently licensed transportation packages for the transportation of HALEU by evaluating a representative package for each uranium fuel form category (for example, oxide and/or metal in fuel assemblies, fuel pins, powder, pellets, and uranium hexafluoride [UF 6 ].) This report expands on the UF 6 analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Evaluating Barcode Size and Metal Surface Treatment Options for a Global UF 6 Cylinder Identifier

A team at Oak Ridge National Laboratory tested various barcode sizes, materials, surface finishes, and marking techniques to determine suitable direct part marking techniques and barcode specifications for a new uranium hexafluoride (UF 6 ) cylinder global identifier. This paper describes testing those variables at different read distances and angles with several commercial off-the-shelf direct part mark or barcode readers. This research concluded that a 1.4 in. 2D Data Matrix barcode with a 0.1 in. quiet zone would be appropriate for the machine-readable feature on the proposed UF 6 cylinder global identifier. Testing suggests that this size barcode could be read from an angle of up to 30° over the range of 10–100 cm using multiple commercial off-the-shelf handheld direct part mark or barcode readers. Testing also suggested that barcodes marked on ball-blasted stainless steel with CerMark laser marking ink may be a good choice for the proposed UF 6 cylinder global identifier because they exhibited high contrast and were readable from a desirable range of distances and angles.

42 ENGINEERING↗