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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cationic Cobalt(II) Bisphosphine Hydroformylation Catalysis: In Situ Spectroscopic and Reaction Studies

[HCo(CO) x (bisphosphine)](BF 4 ), x = 1–3, is a highly active hydroformylation catalyst system, especially for internal branched alkenes. In situ infrared spectroscopy (IR), electron paramagnetic resonance (EPR), and nuclear magnetic resonance studies support the proposed catalyst formulation. IR studies reveal the formation of a dicationic Co(I) paramagnetic CO-bridged dimer, [Co 2 (μ-CO) 2 (CO)(bisphosphine) 2 ] 2+ , at lower temperatures formed from the reaction of two catalyst complexes via the elimination of H 2 . Here, DFT studies indicate a dimer structure with square-pyramidal and tetrahedral cobalt centers. This monomer–dimer equilibrium is analogous to that seen for HCo(CO) 4 , reacting to eliminate H 2 and form Co 2 (CO) 8 . EPR studies on the catalyst show a high-spin (S = 3/2) Co(II) complex. Reaction studies are presented that support the cationic Co(II) bisphosphine catalyst as the catalyst species present in this system and minimize the possible role of neutral Co(I) species, HCo(CO) 4 or HCo(CO) 3 (phosphine), as catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Development of Remote Cutting Tools for use at ATR - 20438

As a result of years of operations of the Advanced Test Reactor (ATR) at the Idaho National Lab (INL), the ATR canal has become congested due to the storage of materials including waste consisting of highly irradiated remote handled (RH) metals. In order to support its continuing nuclear mission the ATR requires canal space to support fuel storage and future core internal change out (CIC) components. INL staff determined that the canal must be cleaned out and waste removed to efficiently utilize the valuable canal floor space. It was determined that a methodology for processing, packaging, characterizing, and removing current and future irradiated hardware from the ATR canal is needed. Orano Federal Services (OFS) and its subcontractor Babcock Services Inc. (BSI) were selected to provide remote tooling in order to safely and efficiently size reduce the material currently stored in the ATR canal. INL developed detailed requirements that established the design and performance requirements for the tooling. Orano TN and BSI had recently successfully completed similar tasks in clearing highly activated materials from spent fuel pools and canals at commercial nuclear plants. That experience directly translated into a proven approach that could be used at the ATR thereby saving time and money and lowering risks. Based on BSI's demonstrated proficiency in the design and deployment of remote size reduction specialty tooling at comparable commercial facilities, Orano Federal Services was confident that a solution to INL's requirements could be delivered. The tooling had to be designed to be compatible with the operational requirements of the ATR canal as well as the functionality needed by the facility operators that will use the equipment. Some of the major design requirements and functions of the equipment included remote operations, capability to shear highly irradiated sections of aluminum and steel tubing, pipe, and components ranging in size from 0.6 cm to 16.5 cm diameter into 1.5 m -1.8 m lengths, utilizing buoyancy compensation to assist with underwater operations, and use commercially available existing technology and components as much as practical. The design team evaluated and selected commercially available equipment that could be modified to meet the design and performance specifications. In addition, a waste sizing table (WST) was designed and fabricated to further ensure the size reduction equipment would perform as expected and give the facility operators a stable and usable remote, underwater work platform. After successful development of the tooling, a mock up test and operator training was conducted to ensure the tooling performed as expected and met the requirements of INL. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Mechanism of Methanol Decomposition over Single-Site Pt 1 /CeO 2 Catalyst: A DRIFTS Study

Single-site catalysts have drawn broad attention in catalysis because of their maximum atomic utilization and unique catalytic performance. Early work in our group has shown a 40-fold higher activity of methanol decomposition over single-site Pt 1 /CeO 2 catalyst than CeO 2 supported 2.5 nm Pt nanoparticles, while a molecular-level understanding of such enhancement is lacking. Herein, the reaction mechanism of methanol decomposition over Pt 1 /CeO 2 was carefully investigated using in situ DRIFTS, and a reaction pathway was proposed. Methanol molecules were dissociatively adsorbed on nanoceria support first, followed by the diffusion of as-formed methoxy species onto Pt single sites where the dehydrogenation occurs and results in the weakly bonded CO. The ease of methanol dissociative adsorption on nanoceria support and the tailored electronic property of Pt 1 via the metal-support interaction are believed to be strongly correlated with the high activity of Pt 1 /CeO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

High efficiency GaP power conversion for Betavoltaic applications

AstroPower is developing a gallium phosphide (GaP) based energy converter optimized for radio luminescent light-based power supplies. A 'two-step' or 'indirect' process is used where a phosphor is excited by radioactive decay products to produce light that is then converted to electricity by a photovoltaic energy converter. This indirect conversion of beta-radiation to electrical energy can be realized by applying recent developments in tritium based radio luminescent (RL) light sources in combination with the high conversion efficiencies that can be achieved under low illumination with low leakage, gallium phosphide based devices. This tritium to light approach is inherently safer than battery designs that incorporate high activity radionuclides because the beta particles emitted by tritium are of low average energy and are easily stopped by a thin layer of glass. GaP layers were grown by liquid phase epitaxy and p/n junction devices were fabricated and characterized for low light intensity power conversion. AstroPower has demonstrated the feasibility of the GaP based energy converter with the following key results: 23.54 percent conversion efficiency under 968 muW/sq cm 440 nm blue light, 14.59 percent conversion efficiency for 2.85 muW/sq cm 440 nm blue light, and fabrication of working 5 V array. We have also determined that at least 20 muW/sq cm optical power is available for betavoltaic power systems. Successful developments of this device is an enabling technology for low volume, safe, high voltage, milliwatt power supplies with service lifetimes in excess of 12 years.

Sims, Paul E.↗
DOE OSTI2020

The TRANSCEND University Consortium: An Overview - 20106

The UK government is committed to nuclear energy having an important role in delivering a secure, low-carbon and affordable energy future. Projections indicate that between now and 2035, ∼14 GW of new nuclear generating capacity may be built. Successful delivery of this strategy recognises the need for research and development, skills development and international collaboration as key enablers. One key area is the decommissioning and clean-up of all civil nuclear licensed sites and the implementation of geological disposal of highly active wastes, with a central component being a joined-up approach to nuclear R and D across government, industry and academia which benefits the UK economy and ensures the security of supply. Essential to public acceptance of this strategy remains a demonstrable ability to safely manage and dispose of waste, with acceptance directly linked to having scientifically robust routes for its safe clean-up and disposal. There therefore remains an ongoing need for further research in the areas of decommissioning, immobilisation and management of nuclear waste, and there is significant government and stakeholder support for such research. Given the needs of both new nuclear power generation and legacy wastes, there is a requirement to develop innovative approaches to waste management and decommissioning. Following on from earlier, highly successful projects supported by UK Research and Innovation's Energy Programme, the work of the TRANSCEND (Transformative Science and Engineering for Nuclear Decommissioning) consortium is part of the response to these needs, providing support to a strong and internationally leading group of researchers in this key technology area. The consortium is a collaboration between 11 universities, supported by 8 key industry partners, with a total funding of UK Pounds 9.5 M from the UK Engineering and Physical Research Council, the universities and key project partners. The research being carried out is multidisciplinary and covers both fundamental and applied topics, with 40 research projects clustered in four technical themes: integrated waste management; site decommissioning and remediation; spent fuels; and nuclear materials. Key aims of the consortium are to extend and further develop a relevant academic skill base in the UK associated with the needs of nuclear waste management and decommissioning, to train the next generation of UK researchers, equipping them with skills and experiences relevant to nuclear waste management and decommissioning issues, and to carry out cutting-edge research that has the potential to provide new and innovative pathways to better management of both legacy and future nuclear wastes. (authors)

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DOE OSTI2024

Time-Temperature-Transformation (TTT) Diagram for a Sludge Batch 9 Glass Composition Based on Coupled-Operation with the Salt Waste Processing Facility

The amorphous structure of a glass waste form has the potential to rearrange into crystalline phases at temperatures between the liquidus temperature and the glass transition temperature (Tg). Certain phases that can form will be detrimental to the durability of the glass and it is important to know the conditions that promote devitrification. The canister-centerline-cooling (CCC) profile is used to replicate the area within the center of the Defense Waste Processing Facility (DWPF) canister with the slowest cooling during the initial cool down after pouring, which has the greatest potential for crystallization. Other time-temperature conditions that cause significant changes in either phase structure or phase composition are identified by a time-temperature-transformation (TTT) study. The phase stability of a waste form must be determined as a part of the Waste Acceptance Product Specifications (WAPS) if it is to eventually be stored in a geologic repository. This requires the creation of a TTT diagram and analysis of the Tg, as defined by the Department of Energy (DOE). The previous TTT study for a DWPF glass waste form was completed in 2010 prior to coupled operation with the Salt Waste Processing Facility (SWPF). SWPF transfers two high activity waste streams to DWPF for vitrification: a cesium-containing strip effluent and a stream containing monosodium titanate/sludge solids. These SWPF streams were first transferred to DWPF for vitrification during Sludge Batch 9 (SB9) in 2021. The impact of these SWPF streams on crystallization behavior was not determined in previous studies and the need for data to satisfy WAPS Specification 1.4 for SB9 was identified.

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DOE OSTI2022

Effect of zeolite type, temperature, and pH on Stage III glass alteration behavior for two nuclear waste glasses

We report long-term laboratory scale static alteration tests (up to 1500 d) were conducted on two low-activity waste glasses (LAWA44 and IDF18-A161) at S/V = 2000 m –1 . Tests were seeded with either analcime, clinoptilolite, zeolite P1, or zeolite P2 to induce Stage III glass alteration behavior. The effect of several parameters on glass Stage III behavior was studied with consideration of several variables, including temperature (22 °C – 90 °C) and pH (floating or initially set using KOH at values from 9.5 to 11.5). Temporal solution data and solids characterization at the end of the experiments are reported. Solution data demonstrated the occurrence of a sustained rate acceleration at temperatures down to 40 °C and the activation energy for these Stage III rates was determined for both glasses. Three major secondary phases were identified at the end of the experiments for both glasses: zeolite P1, zeolite P2, and/or analcime (along with minor phases: zeolites, clays, carbonates). The identification of the crystalline phases at the end of the experiment often differed from the zeolite seed phase. In addition, the use of the Avrami equation showed unimpeded zeolite growth (3-dimensional) in certain conditions, suggesting that in certain conditions the glass dissolution rate is controlled by zeolite formation kinetics whereas in other conditions the glass corrosion process impeded zeolite formation kinetics. The morphological evolution of the samples revealed the growth of the zeolites which completely fill the intergranular space in the powder bed. These results are discussed with regards to previous seeded and unseeded Stage III dissolution rate experiments performed on low- and high-activity nuclear waste glasses.

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DOE OSTI2022

How the Bioinspired Fe 2 Mo 6 S 8 Chevrel Breaks Electrocatalytic Nitrogen Reduction Scaling Relations

The nitrogen reduction reaction (NRR) is a renewable alternative to the energy- and CO 2 -intensive Haber–Bosch NH 3 synthesis process but is severely limited by the low activity and selectivity of studied electrocatalysts. The Chevrel phase Fe 2 Mo 6 S 8 has a surface Fe–S–Mo coordination environment that mimics the nitrogenase FeMo-cofactor and was recently shown to provide state-of-the-art activity and selectivity for NRR. Here, we elucidate the previously unknown NRR mechanism on Fe 2 Mo 6 S 8 via grand-canonical density functional theory (GC-DFT) that realistically models solvated and biased surfaces. Fe sites of Fe 2 Mo 6 S 8 selectively stabilize the key *NNH intermediate via a narrow band of free-atom-like surface d-states that selectively hybridize with p-states of *NNH, which results in Fe sites breaking NRR scaling relationships. These sharp d-states arise from an Fe–S bond dissociation during N 2 adsorption that mimics the mechanism of the nitrogenase FeMo-cofactor. Furthermore, we developed a new GC-DFT-based approach for calculating transition states as a function of bias (GC-NEB) and applied it to produce a microkinetic model for NRR at Fe 2 Mo 6 S 8 that predicts high activity and selectivity, in close agreement with experiments. Furthermore, our results suggest new design principles that may identify effective NRR electrocatalysts that minimize the barriers for *N 2 protonation and *NH 3 desorption and that may be broadly applied to the rational discovery of stable, multinary electrocatalysts for other reactions where narrow bands of surface d-states can be tuned to selectively stabilize key reaction intermediates and guide selectivity toward a target product. Furthermore, our results highlight the importance of using GC-DFT and GC-NEB to accurately model electrocatalytic reactions.

10 SYNTHETIC FUELS↗
NASA NTRS1988

Pretreatment of CO oxidation catalysts

CO oxidation catalysts with high activity in the range of 25 C to 100 C are important for long-life, closed-cycle operation of pulsed carbon dioxide 2 lasers. A reductive pretreatment with either CO or H sub 2 was shown to significantly enhance the activity of a commerically-available platinum on tin (IV) oxide (Pt/SnO2) catalyst relative to an oxidative or inert pretreatment or no pretreatment. Pretreatment at temperatures of 175 C and above caused an initial dip in observed CO or O sub 2 loss or CO sub 2 formation in a test gas mixture of 1 percent CO and 0.5 percent O sub 2 in a He gas matrix before a steady-state yield was obtained. This dip was found to be caused by dehydration of the surface of the catalyst and was readily eliminated by humidifying the catalyst or the test gas mixture. It was also found that too much moisture resulted in a lower overall yield of CO sub 2. Under similar conditions, it is hypothesized that the effect of the humidification is to increase the concentration of OH groups on the surface of the catalyst. The effect of having high concentration of CO sub 2 in the test gas mixture upon the loss of CO and O sub 2 as well as the effect of periods of relaxation of the catalyst under non-test gas conditions was studied. The purpose of these studies was to gain an insight into the mechanism of CO oxidation on this type of catalyst.

Vannorman, John D.↗
DOE OSTI2021

Understanding Selectivity in CO2 Hydrogenation to Methanol for MoP Nanoparticle Catalysts Using In Situ Techniques

Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, and it is investigated as a high-activity catalyst that overcomes deactivation issues (e.g., formate poisoning) faced by conventional transition metal catalysts. MoP as a new catalyst for hydrogenating CO2 to methanol is particularly appealing for the use of CO2 as chemical feedstock. Herein, we use a colloidal synthesis technique that connects the presence of MoP to the formation of methanol from CO2, regardless of the support being used. By conducting a systematic support study, we see that zirconia (ZrO2) has the striking ability to shift the selectivity towards methanol by increasing the rate of methanol conversion by two orders of magnitude compared to other supports, at a CO2 conversion of 1.4% and methanol selectivity of 55.4%. In situ X-ray Absorption Spectroscopy (XAS) and in situ X-ray Diffraction (XRD) indicate that under reaction conditions the catalyst is pure MoP in a partially crystalline phase. Results from Diffuse Reflectance Infrared Fourier Transform Spectroscopy coupled with Temperature Programmed Surface Reaction (DRIFTS-TPSR) point towards a highly reactive monodentate formate intermediate stabilized by the strong interaction of MoP and ZrO2. This study definitively shows that the presence of a MoP phase leads to methanol formation from CO2, regardless of support and that the formate intermediate on MoP governs methanol formation rate.

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

Efficient electrocatalytic conversion of CO 2 to ethanol enabled by imidazolium-functionalized ionomer confined molybdenum phosphide

An effective electrochemical carbon dioxide reduction reaction (eCO 2 RR) requires the discovery of a catalytic system that is highly active and selective for multi-carbon products together with superior CO 2 diffusion at a catalyst layer to minimize the reduction barriers. Here, we found a catalytic system that uses molybdenum phosphide (MoP) nanoparticles covered by imidazolium-functionalized ionomer (Im) that promotes CO 2 diffusion at the catalyst layer toward the catalyst surface, where CO 2 is reduced to ethanol (C 2 H 5 OH). The electrochemical results with the MoP-Im co-catalyst show a C 2 H 5 OH production Faradaic efficiency and a cathodic energy efficiency of 77.4% and 63.3%, respectively, at a potential as low as - 200 mV vs. RHE. The electrochemical experiments along with our physicochemical characterizations indicate that the Im improves CO 2 diffusion and balances water content resulting in a higher CO 2 -to-water ratio at the catalyst layer and fine-tunes the electronic properties of Mo atoms at the MoP surface. Finally, in-situ Raman spectroscopy reveals that a high number of adsorbed *CO intermediates on the surface and a higher binding strength of *CO intermediates on the Mo surface sites in the presence of imidazolium molecules are the main reasons for a superior C-C coupling and thereby the improved C 2 H 5 OH formation.

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

Quantifying the effect of CO 2 gasification on pulverized coal char oxy-fuel combustion

Previous research has provided strong evidence that CO 2 and H 2 O gasification reactions can provide non-negligible contributions to the consumption rates of pulverized coal (pc) char during combustion, particularly in oxy-fuel environments. Fully quantifying the contribution of these gasification reactions has proven to be difficult, due to the dearth of knowledge of gasification rates at the elevated particle temperatures associated with typical pc char combustion processes, as well as the complex interaction of oxidation and gasification reactions. Gasification reactions tend to become more important at higher char particle temperatures (because of their high activation energy) and they tend to reduce pc oxidation due to their endothermicity (i.e. cooling effect). The work reported here attempts to quantify the influence of the gasification reaction of CO 2 in a rigorous manner by combining experimental measurements of the particle temperatures and consumption rates of size-classified pc char particles in tailored oxy-fuel environments with simulations from a detailed reacting porous particle model. The results demonstrate that a specific gasification reaction rate relative to the oxidation rate (within an accuracy of approximately +/- 20% of the pre-exponential value), is consistent with the experimentally measured char particle temperatures and burnout rates in oxy-fuel combustion environments. Conversely, the results also show, in agreement with past calculations, that it is extremely difficult to construct a set of kinetics that does not substantially overpredict particle temperature increase in strongly oxygen-enriched N2 environments. This latter result is believed to result from deficiencies in standard oxidation mechanisms that fail to account for falloff in char oxidation rates at high temperatures.

42 ENGINEERING↗
DOE OSTI2025

Guiding Principles for Geochemical/Thermodynamic Model Development and Validation in Nuclear Waste Disposal: A Close Examination of Recent Thermodynamic Models for H + —Nd 3+ —NO 3 - (—Oxalate) Systems

Development of a defensible source-term model (STM), usually a thermodynamical model for radionuclide solubility calculations, is critical to a performance assessment (PA) of a geologic repository for nuclear waste disposal. Such a model is generally subjected to rigorous regulatory scrutiny. In this article, we highlight key guiding principles for STM model development and validation in nuclear waste management. We illustrate these principles by closely examining three recently developed thermodynamic models with the Pitzer formulism for aqueous H + —Nd 3+ —NO 3 - (—oxalate) systems in a reverse alphabetical order of the authors: the XW model developed by Xiong and Wang, the OWC model developed by Oakes et al., and the GLC model developed by Guignot et al., among which the XW model deals with trace activity coefficients for Nd(III), while the OWC and GLC models are for concentrated Nd(NO 3 ) 3 electrolyte solutions. The principles highlighted include the following: (1) Principle 1. Validation against independent experimental data: A model should be validated against experimental data or field observations that have not been used in the original model parameterization. We tested the XW model against multiple independent experimental data sets including electromotive force (EMF), solubility, water vapor, and water activity measurements. The results show that the XW model is accurate and valid for its intended use for predicting trace activity coefficients and therefore Nd solubility in repository environments. (2) Principle 2. Testing for relevant and sensitive variables: Solution pH is such a variable for an STM and easily acquirable. All three models are checked for their ability to predict pH conditions in Nd(NO 3 ) 3 electrolyte solutions. The OWC model fails to provide a reasonable estimate for solution pH conditions, thus casting serious doubt on its validity for a source-term calculation. In contrast, both the XW and GLC models predict close-to-neutral pH values, in agreement with experimental measurements. (3) Principle 3. Honoring physical constraints: Upon close examination, it is found that the Nd(III)-NO 3 association schema in the OWC model suffers from two shortcomings. Firstly, its second stepwise stability constant for Nd(NO 3 ) 2+ (log K 2 ) is much higher than the first stepwise stability constant for NdNO 3 2+ (log K 1 ), thus violating the general rule of (log K 2 –log K 1 ) < 0, or $\frac{K1}{K2}$>1. Secondly, the OWC model predicts abnormally high activity coefficients for Nd(NO 3 ) 2 + (up to ~900) as the concentration increases. (4) Principle 4. Minimizing degrees of freedom for model fitting: The OWC model with nine fitted parameters is compared with the GLC model with five fitted parameters, as both models apply to the concentrated region for Nd(NO 3 ) 3 electrolyte solutions. The latter appears superior to the former because the latter can fit osmotic coefficient data equally well with fewer model parameters. The work presented here thus illustrates the salient points of geochemical model development, selection, and validation in nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Observation of a mixed close-packed structure in superionic water

The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice’s peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

Andriambariarijaona, Leon [Centre National de la R↗
DOE OSTI2022

Anomalous And Normal High Performance Computing Datacenter Activities

This code provides annotation and an interface to 10+ hours of video activities in a high performance datacenter with 20+ different types of anomalous activities. The purpose is to enable machine learning for video surveillance systems in high performance computing centers. This is the first code of this type addressing the space of high performance computing datacenters.

Anderson, Matthew↗
NASA NTRS2008

Highly Structured Wind in Vela X-1

We present an in-depth analysis of the spectral and temporal behavior of a long almost uninterrupted INTEGRAL observation of Vela X-1 in Nov/Dec 2003. In addition to an already high activity level, Vela X-1 exhibited several very intense flares with a maximum intensity of more than 5 Crab in the 20 40 keV band. Furthermore Vela X-1 exhibited several off states where the source became undetectable with ISGRI. We interpret flares and off states as being due to the strongly structured wind of the optical companion: when Vela X-1 encounters a cavity in the wind with strongly reduced density, the flux will drop, thus potentially triggering the onset of the propeller effect which inhibits further accretion, thus giving rise to the off states. The required drop in density to trigger the propeller effect in Vela X-1 is of the same order as predicted by theoretical papers for the densities in the OB star winds. The same structured wind can give rise to the giant flares when Vela X-1 encounters a dense blob in the wind. Further temporal analysis revealed that a short lived QPO with a period of 6800 sec is present. The part of the light curve during which the QPO is present is very close to the off states and just following a high intensity state, thus showing that all these phenomena are related.

Kreykenbohm, Ingo↗
DOE OSTI2022

QuCNN : A Quantum Convolutional Neural Network with Entanglement Based Backpropagation

Quantum Machine Learning continues to be a highly active area of interest within Quantum Computing. Many of these approaches have adapted classical approaches to the quantum settings, such as QuantumFlow, etc. We push forward this trend, and demonstrate an adaption of the Classical Convolutional Neural Networks to quantum systems - namely QuCNN. QuCNN is a parameterised multi-quantum-state based neural network layer computing similarities between each quantum filter state and each quantum data state. With QuCNN, back propagation can be achieved through a single-ancilla qubit quantum routine. QuCNN is validated by applying a convolutional layer with a data state and a filter state over a small subset of MNIST images, comparing the backpropagated gradients, and training a filter state against an ideal target state.

high performance computing, quantum computing↗
DOE OSTI2023

Composition Measurements of the HLW APPS Glasses

This report provides the results from the chemical analyses of the glass compositions of the High Activity Waste Aspen Process Performance Simulation (HLW APPS) study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with targeted compositions. The relative differences between the targeted and measured concentrations of F- for three glasses and B 2 O 3 for five glasses were greater than 10%. These results can be used in further characterization of this series of glasses, including the normalization of Product Consistency Test results.

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