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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Analysis of backwash settings to maximize net water production in an engineering-scale ultrafiltration system for water reuse

Ultrafiltration (UF) has been widely utilized as water pretreatment for different applications especially in water reuse. The UF system operation is characterized by a filtration phase, where particles accumulate on the membrane surface resulting in an increase in the transmembrane pressure (TMP) and a cleaning phase, where foulants are removed through cleaning cycles including physical backwash and chemical-enhanced backwash (CEB). In this study, data from an engineering-scale UF system treating reclaimed wastewater were used to assess the impact of backwashing on the filtration process. TMP backwash trigger, backwash duration, and CEB frequency were purposely varied for a cycle-by-cycle investigation on the net water production, water recovery, initial operating TMP, and filtration cycle duration. As the TMP backwash trigger was varied between 62 and 145kPa, the maximum net water production (63 m 3 /d) was achieved at 103kPa and water recovery remained relatively constant at approximately 92%. Backwash durations of 45, 65, and 85s were performed where both net water production and water recovery yielded similar results (~63 m 3 /d and ~ 91%) compared with 103kPa TMP backwash trigger. The CEB frequency was also lowered from one every three backwashes (1/3) to 1/6 and 1/12 and resulted in decreased net water production and water recovery while the initial TMP increased. Interestingly, the total number of CEBs remained approximately constant regardless of their frequency. In conclusion, results suggest that CEB is an important fouling control process to maximize water production.

42 ENGINEERING↗
DOE OSTI2025

Spectral emission characteristics near 646 nm and plasma properties of laser-induced plasma of gaseous uranium hexafluoride

We present a detailed investigation of the temporal evolution of line and continuum emissions in laser-induced breakdown spectroscopy (LIBS) of gaseous uranium hexafluoride (UF 6 ), focusing on the spectral region near 646 nm. Spectral emission features, signal-to-background ratios (SBRs) of selected uranium lines, and spectral linewidths were examined under varying UF 6 pressures (15–60 Torr) and laser pulse energies (10–60 mJ). Higher pressures and pulse energies enhanced continuum emission and reduced SBRs but did not cause significant spectral congestion. Additional studies with the use of different laser systems, including nanosecond-pulsed Nd:YAG lasers (at fundamental and various harmonics) and a femtosecond-pulsed Ti:sapphire laser, revealed long-lived plasma continua in all cases. This persistent continuum is attributed to a pseudo-continuum from overlapping molecular emissions, as its intensity scales linearly with electron number density, deviating from the expected quadratic dependence of classical ion–electron interactions for free-free and free-bound continuum emission. Based on plasma persistence time, SBR, U II/U I intensity ratios, and electronic excitation temperature, no fundamental advantage was found for femtosecond-pulsed lasers over conventional nanosecond-pulsed ones for UF 6 enrichment assay with direct LIBS measurement.

Laser-induced breakdown spectroscopy↗
DOE OSTI2026

Uranium Hexafluoride Hydrolysis Reaction Dynamics from Cryogenic Layering, FTIR Spectroscopy, and Isotopic Substitution

The first direct evidence that the hydrolysis reaction of uranium hexafluoride (UF 6 ) follows multiple competing pathways which are driven by the ratio of water to UF 6 , temperature, and isotopic composition is presented. Using temperature dependent infrared spectroscopy, it is shown the hydrolysis can be prevented at temperatures below 150 K, and that water-rich environments promote the formation of uranium oxyfluoride intermediates. Spectral shifts reveal isomeric transitions and the growth of polymeric species, with reaction reversibility observed at high water concentrations. Additionally, controlled heating rates affect the emergence of intermediates. The final particulate product consistently forms as uranyl fluoride hydrate, though its morphology and spectral signature vary with reaction conditions and annealing. These findings help clarify long-standing uncertainties surrounding UF 6 hydrolysis.

Chemical reactions↗
DOE OSTI2025

When more data hurts: Optimizing data coverage while mitigating diversity-induced underfitting in an ultrafast machine-learned potential

Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parametrize the MLIPs remains a significant challenge. This is because MLIPs can fail when encountering local environments too different from those present in the training data. The difficulty of determining a priori the environments that will be encountered during molecular dynamics simulation necessitates diverse, high-quality training data. Here, this study investigates how training data diversity affects the performance of MLIPs using the Ultra-Fast force field (UF 3 ) to model amorphous silicon nitride. We employ expert and autonomously generated data to create the training data and fit four force field variants to subsets of the data. Our findings reveal a critical balance in training data diversity: insufficient diversity hinders generalization, while excessive diversity can exceed the MLIP's learning capacity, reducing simulation accuracy. Specifically, we found that the UF 3 variant trained on a subset of the training data, in which nitrogen-rich structures were removed, offered vastly better prediction and simulation accuracy than any other variant. By comparing these UF 3 variants, we highlight the nuanced requirements for creating accurate MLIPs, emphasizing the importance of application-specific training data to achieve optimal performance in modeling complex material behaviors.

ab initio molecular dynamics↗
DOE OSTI2026

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗
DOE OSTI2020

Application-Specific Implementations: Self-Consistent Analysis, Uncertainty Estimation, Instrumentation Effects

When UF 6 is located on the bottom of a cylindrical container lying flat, the Hage-Cifarelli formalism can be used to reconstruct the multiplication of the UF 6 and the strength of the 234 U (a,n) source, from which the 235 U can be inferred. However, when the UF 6 sticks to the ends or to the sides of the container, the reconstruction is no longer predictive in terms of source strength. The same conclusions were reached, whether one uses 3 He tubes or scintillators to detect the neutrons. Feynman’s point theory underlying the reconstruction would need to be improved to address the differences in source strenghts observed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

UFCC Calibration Measurements for Bulk U 3 O 8 Powder Samples

The uranium UF 6 coincidence counter (UFCC) was designed to measure 5A/B cylinders containing UF 6 in the passive neutron self-interrogation mode. The purpose of the present report is to extend the UFCC capability to other sample types such as oxides and liquids that might be found during verification activities. A 252 Cf source was introduced into the detector to make the active mode measurements possible, because only the UF 6 samples have adequate neutron emission for self-interrogation. The sample enrichments varied from 0.72% to 91% to establish the shape of the calibration curve and the measurement uncertainties. The measurements included the singles, doubles, and triples rates. The time correlations between the 252 Cf source and the induced fission reactions reduced the statistical error in the doubles and triples rates to be small enough for useful measurements in 5-10 minutes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Integrated Electrocoagulation, Ultrafiltration, Membrane Distillation, and Crystallization for Treating Produced Water

Produced water (PW) generated from hydraulic fracturing operations was treated using an integrated electrocoagulation, ultrafiltration, membrane distillation, and crystallization process (EC UF MDC). The aim was to determine the viability of this integrated process for maximizing water recovery. The results obtained here indicate that optimizing the various unit operations could lead to increased recovery of PW. Membrane fouling limits all membrane separation processes. A pretreatment step to suppress fouling is essential. Here, removal of total suspended solids (TSS) and total organic carbon (TOC) was achieved by electrocoagulation (EC) followed by ultrafiltration (UF). The hydrophobic membrane used in membrane distillation may be fouled by dissolved organic compounds. Reducing membrane fouling is essential to increase the long-term durability of the membrane distillation (MD) system. In addition, combining membrane distillation with crystallization (MDC) can help reduce scale formation. By inducing crystallization in the feed tank, scale formation on the MD membrane was suppressed. The integrated EC UF MDC process can impact Water Resources/Oil & Gas Companies. Conservation of surface and groundwater is possible by treating and reusing PW. Additionally, treating PW reduces the amount of PW disposed in Class II disposal wells and promotes more environmentally sustainable operations.

42 ENGINEERING↗
NASA NTRS1972

A universal functional object

A scheme is presented for realizing any function, combinational or sequential, in a single universal function scheme, termed the universal function object UF. This scheme is addressed to the problem of the proliferation of the number of parts (cards, chips) necessary for conventional implementation in an LSI technology of a computer system. The UF implementation will use about ten times more circuits than a conventional implementation regardless of the size of the design. The UF approach also includes general-purpose spares for failing circuits. The procedure could be used both at manufacture to increase yields, as well as to achieve automatic repair.

Roth, J. P.↗
NASA NTRS1988

Calculations of the unsteady, three-dimensional flow field inside a motored Wankel engine

A computer program (referred to as UF-LRC-3D) was developed for studying the unsteady, three-dimensional flow field inside the combustion chambers of motored Wankel engines as a function of engine design and operating parameters. This paper presents the details of the governing equations and the numerical method used by UF-LRC-3D. Also presented are numerical solutions generated by UF-LRC-3D showing the velocity field inside a motored Wankel engine, the mixing of nonhomogeneous fuel-air mixtures that enter through the intake port, and the mixing that takes place when a gaseous fuel is injected into the combustion chamber during compression.

Steinthorsson, Erlendur↗
NASA NTRS2012

Numerical Simulation of Rocket Exhaust Interaction with Lunar Soil

This technology development originated from the need to assess the debris threat resulting from soil material erosion induced by landing spacecraft rocket plume impingement on extraterrestrial planetary surfaces. The impact of soil debris was observed to be highly detrimental during NASA s Apollo lunar missions and will pose a threat for any future landings on the Moon, Mars, and other exploration targets. The innovation developed under this program provides a simulation tool that combines modeling of the diverse disciplines of rocket plume impingement gas dynamics, granular soil material liberation, and soil debris particle kinetics into one unified simulation system. The Unified Flow Solver (UFS) developed by CFDRC enabled the efficient, seamless simulation of mixed continuum and rarefied rocket plume flow utilizing a novel direct numerical simulation technique of the Boltzmann gas dynamics equation. The characteristics of the soil granular material response and modeling of the erosion and liberation processes were enabled through novel first principle-based granular mechanics models developed by the University of Florida specifically for the highly irregularly shaped and cohesive lunar regolith material. These tools were integrated into a unique simulation system that accounts for all relevant physics aspects: (1) Modeling of spacecraft rocket plume impingement flow under lunar vacuum environment resulting in a mixed continuum and rarefied flow; (2) Modeling of lunar soil characteristics to capture soil-specific effects of particle size and shape composition, soil layer cohesion and granular flow physics; and (3) Accurate tracking of soil-borne debris particles beginning with aerodynamically driven motion inside the plume to purely ballistic motion in lunar far field conditions. In the earlier project phase of this innovation, the capabilities of the UFS for mixed continuum and rarefied flow situations were validated and demonstrated for lunar lander rocket plume flow impingement under lunar vacuum conditions. Applications and improvements to the granular flow simulation tools contributed by the University of Florida were tested against Earth environment experimental results. Requirements for developing, validating, and demonstrating this solution environment were clearly identified, and an effective second phase execution plan was devised. In this phase, the physics models were refined and fully integrated into a production-oriented simulation tool set. Three-dimensional simulations of Apollo Lunar Excursion Module (LEM) and Altair landers (including full-scale lander geometry) established the practical applicability of the UFS simulation approach and its advanced performance level for large-scale realistic problems.

Liever, Peter↗
NASA NTRS2016

NASA's Preparations for ESA's L3 Gravitational Wave Mission

Telescope Subsystem - Jeff Livas (GSFC): Demonstrate pathlength stability, straylight and manufacturability. Phase Measurement System - Bill Klipstein (JPL): Key measurement functions demonstrated. Incorporate full flight functionality. Laser Subsystem - Jordan Camp (GSFC): ECL master oscillator, phase noise of fiber power amplifier, demonstrate end-to-end performance in integrated system, lifetime. Micronewton Thrusters - John Ziemer (JPL): Propellant storage and distribution, system robustness, manufacturing yield, lifetime. Arm-locking Demonstration - Kirk McKenzie (JPL): Studying a demonstration of laser frequency stabilization with GRACE Follow-On. Torsion Pendulum - John Conklin (UF): Develop U.S. capability with GRS and torsion pendulum test bed. Multi-Axis Heterodyne Interferometry - Ira Thorpe (GSFC): Investigate test mass/optical bench interface. UV LEDs - John Conklin+ (UF): Flight qualify UV LEDs to replace mercury lamps in discharging system. Optical Bench - Guido Mueller (UF): Investigate alternate designs and fabrication processes to ease manufacturability. LISA researchers at JPL are leading the Laser Ranging Interferometer instrument on the GRACE Follow-On mission.

Midterm Assessment↗
DOE OSTI2025

Production of anhydrous ƒ-element fluorides through the ionothermal treatment of ƒ-element oxalates

The pivotal role of uranium and plutonium fluorides in the nuclear fuel cycle, particularly in the pyrochemical reduction process, is well recognized. Traditionally, the fluorination of uranium and plutonium materials relies on the use of highly toxic and corrosive gases (e.g., HF (g) , F 2(g) ). Herein, we present an alternative approach using the ionic liquid 1‑butyl‑3-methylimidazolium hexafluorophosphate ([Bmim][PF 6 ] (l) ) and/or hexafluorophosphoric acid (HPF 6(aq) ) as fluorinating agents for the ƒ-element oxalates M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) (M III = Ce, Pu) and M IV (C 2 O 4 ) 2 ∙ 6H 2 O (s) (M IV = Th, U). Our findings demonstrate that [Bmim][PF 6 ] (l) and HPF 6(aq) enable the ionothermal fluorination of ƒ-element oxalates, resulting in the formation of anhydrous CeF 3(s) , ThF 4(s) , and UF 4(s) within 2 hours at 200 °C. This method also facilitates the partial fluorination of plutonium(III) oxalate, yielding a mixture of anhydrous PuF 3(s) and an unidentified phase. Overall, the ionothermal treatment approach offers a safer and more efficient means of producing anhydrous ƒ-element fluorides than conventional methods involving hazardous gases. In addition, we describe the morphology of UF 4(s) materials as a function of production route and demonstrate the presence of morphological signatures that could be used during a nuclear forensic investigation.

Cerium↗
DOE OSTI2023

In-field alpha spectrometry system for uranium enrichment verification of uranium hexafluoride

A portable In-Field Alpha Spectrometry (IFAS) system was developed to support on-site uranium enrichment determination for samples taken at facilities working with gaseous UF 6 . It consists of a modified commercial alpha spectrometer, a vacuum pump, a laptop computer, and associated connectors and cables. The IFAS uses specially designed Single-Use Destructive Assay (SUDA) samplers to capture gaseous UF 6 and convert and store it as UO 2 F 2 in a thin-film zeolite. To examine the quantitative performance of the IFAS system a large number of replicate SUDA samples was acquired for natural uranium (NU, 0.72 wt%, 23 samples), low enriched uranium 1 (LEU1, 2.33 wt% 235 U, 10 samples), and low enriched uranium 2 (LEU2, 4.62 wt% 235 U, 10 samples). The standard deviation (SD) values for uranium enrichment determination with the IFAS for NU, LEU1, and LEU2, in 20-hour assays, were 0.037 wt% 235 U, 0.063 wt% 235 U, and 0.072 wt% 235 U, respectively. In addition, a separate analysis suggests that comparable SD values can be achieved in less time, approximately 8-10 hours. For context, these SD values are well below the International Atomic Energy Agency’s International Target Values for the determination of uranium enrichment in non-destructive assay measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Removal of As(III) by Electrically Conducting Ultrafiltration Membranes

As(III) species are the predominant form of arsenic found in groundwater. However, nanofiltration (NF) and reverse osmosis (RO) membranes are often unable to effectively reject As(III). In this study, we fabricate highly conducting ultrafiltration (UF) membranes for effective As(III) rejection. Here, these membranes consist of a hydrophilic nickel-carbon nanotubes layer deposited on a UF support, and used as cathodes. Applying cathodic potentials significantly increased As(III) rejection in synthetic/real tap water, a result of locally elevated pH that is brought upon through water electrolysis at the membrane/water interface. The elevated pH conditions convert H 3 ASO 3 to H 2 AsO 3 – /HAsO 3 2– that are rejected by the negatively charged membranes. In addition, it was found that Mg(OH) 2 that precipitates on the membrane can further trap arsenic. Importantly, almost all As(III) passing through the membranes is oxidized to As(V) by hydrogen peroxide produced on the cathode, which significantly decreased its overall toxicity and mobility. Although the high pH along the membrane surface led to mineral scaling, this scale could be partially removed by backwashing the membrane. To the best of our knowledge, this is the first report of effective As(III) removal using low-pressure membranes, with As(III) rejection higher than that achieved by NF and RO, and high water permeance.

42 ENGINEERING↗
DOE OSTI2021

Progress in Uranium Chemistry: Driving Advances in Front-End Nuclear Fuel Cycle Forensics

The front-end of the nuclear fuel cycle encompasses several chemical and physical processes used to acquire and prepare uranium for use in a nuclear reactor. These same processes can also be used for weapons or nefarious purposes, necessitating the need for technical means to help detect, investigate, and prevent the nefarious use of nuclear material and nuclear fuel cycle technology. Over the past decade, a significant research effort has investigated uranium compounds associated with the front-end of the nuclear fuel cycle, including uranium ore concentrates (UOCs), UF 4 , UF 6 , and UO 2 F 2 . These efforts have furthered uranium chemistry with an aim to expand and improve the field of nuclear forensics. Focus has been given to the morphology of various uranium compounds, trace elemental and chemical impurities in process samples of uranium compounds, the degradation of uranium compounds, particularly under environmental conditions, and the development of improved or new techniques for analysis of uranium compounds. Overall, this research effort has identified relevant chemical and physical characteristics of uranium compounds that can be used to help discern the origin, process history, and postproduction history for a sample of uranium material. This effort has also identified analytical techniques that could be brought to bear for nuclear forensics purposes. Continued research into these uranium compounds should yield additional relevant chemical and physical characteristics and analytical approaches to further advance front-end nuclear fuel cycle forensics capabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Reactions of Atomic Thorium and Uranium Cations with SF 6 Studied by Guided Ion Beam Tandem Mass Spectrometry

The fundamental chemistry of the thorium and uranium fluorides continues to be an area of interest because of the use of thorium and uranium fluoride compounds in nuclear fuel systems. Here, we study the reaction of thorium cations with sulfur hexafluoride for the first time and revisit the reaction of uranium cations with sulfur hexafluoride. By using guided ion beam tandem mass spectrometry, we explore the reaction pathways that become accessible well above thermal energies (E ~ 0.04 eV). Overall, we find that both Th + and U + react very efficiently with SF 6 , approaching the collision limit at both thermal and elevated energies. Here, the primary products observed at low energies include Th 1–3 + , UF 1–4 + , and SF 1–4 + , all of which are formed in barrierless, exothermic processes. SF 5 + was also observed, although the pressure dependence of this channel reveals that SF 5 + forms exothermically through secondary reactions, which the energy dependences suggest result from reactions between ThF 2 + and UF 3 + with SF 6 . At higher energies, both AnF 3 + products are observed to decay to AnF + + F 2 and both SF 4 + and SF 2 + exhibit cross sections with endothermic features. For both systems, the rise in SF 4 + can be attributed to a secondary collision between AnF + with SF 6 on the basis of the pressure dependence of the SF 4 + channel at higher energies and the rise in SF 2 + appears to result from the decomposition of SF 3 + to SF 2 + + F.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Energetic and Electronic Properties of UX +/0/– for X = Li and Be and Comparison of the Properties of the Uranium Atom Binding to 2nd Row Elements Li–F

The bonding and spectroscopic properties of ULi +/0/– and UBe +/0/– to complete the series for UX +/0/– for X = Li to F were investigated by high-level ab initio SO-CASPT2 and CCSD(T) electronic structure calculations. The low-lying spin–orbit states were obtained at the SA-CASPT2/aQ-PP level; bond dissociation energies (BDEs), ionization energies (IEs), adiabatic electronic affinities (AEAs), and vertical detachment energies (VDEs) were calculated at the Feller-Peterson-Dixon (FPD) level. A dense manifold of low-lying states was predicted for ULi +/0/– and UBe +/0/– . Here, the calculated BDEs for ULi (37.7 kJ/mol) and UBe (8.0 kJ/mol) show that UBe is weakly bound. For redox processes, the BDEs increased for ULi + (109.3 kJ/mol), ULi – (47.4 kJ/mol), UBe + (35.6 kJ/mol), and UBe – (72.3 kJ/mol). The IE(ULi) = 4.650 eV is lower than IE(Li); the IE(UBe) = 5.901 eV is close to the IE(U) and to the IEs of UB, UC, UN, UO, and UF. The AEAs of ULi (0.708 eV) and UBe (0.989 eV) are lower than those for UB, UC, UN, and UO but higher than that for EA(UF). Natural bond orbital (NBO) calculations show that ULi has the 5f 3 6d 1 7s 2 configuration for U and 2s 1 for Li, with a small partial negative charge slightly delocalized on U. UBe arises from the U(5f 3 6d 1 7s 2 ) and Be(2s 2 ) electron configurations with no charge separation. The same calculations were made for WX (X = Li, Be, C–F) to enable detailed comparisons of the properties for UX with WX (X = Li–F). For WX, BDE(WX) is higher than that for UX for X = Li to N and lower than BDE(UX) for X = O and F, mostly due to the higher IE of W than U as ionic character becomes more important going from Li to F.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗