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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

High-rate heavy-ion tracking using MWPCs and PPACs with an Anti-Discharge Unit

This work reports on the development of two robust, heavy-ion beam tracking concepts operating at low pressure (< 15 Torr) for high rate applications (> 200 kHz). The first concept consists of a Multi-Wire Proportional Counter (MWPC) with a central anode consisting of 12 μm Au-plated Tungsten wires spaced 1 mm from each other. The anode grid is sandwiched between two segmented cathodes aligned orthogonally in the two dimensions for (x,y) particle localization. The second detector is a Parallel-Plate Avalanche Counter (PPAC) that uses the same readout geometry as the MWPC, but replaces the wire anode with a 150 nm silver layer deposited on both sides of a thin (< 1 mg/cm 2 ) polypropylene foil. Additionally, the bias circuitry for the PPAC anode central foil is equipped with an Anti-Discharge Unit (ADU) to prevent transitions from proportional operation to streamer formation, thereby avoiding damaging discharges. The localization capability of both detectors was tested with a low-rate alpha-particle source (241-Am). A position resolution of < 1 mm (FWHM) was achieved under stable, high-gas-gain (> 1000) operating conditions. Their performance in terms of detection efficiency as a function of the isotope charge (Z) was determined by irradiating the detectors with a cocktail beam (Z ≤ 15) with energy of ∼ 100 MeV/u. Full detection efficiency is maintained for all available fragments under optimal operational conditions (i.e., voltage bias). Full detection efficiency was achieved at rates above 200 kHz by irradiating the detectors with a 1 cm diameter 238 U beam at an energy of 143 MeV/u.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

MQXFA Series Magnet Production Specification: US HL-LHC Accelerator Upgrade Project

The purpose of this document is to define the specifications for the structure fabrication and assembly of MQXFA series magnets to be used by the US High-Luminosity LHC Accelerator Upgrade Project (AUP). Magnets fabricated according to these specifications are expected to allow MQXFA magnets to meet the MQXFA Functional Requirements Specification. These specifications for the fabrication of MQXFA series magnets are based on the R&D performed by the US LHC Accelerator Research Program (LARP) and the development performed by AUP, in collaboration with CERN, through fabrication and test of pre-series coils and magnets.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Higgs Boson Spookiness: Probing Quantum Nonlocality with Spacetime-Resolved $H\rightarrowτ^+τ^-$ Decays

We demonstrate that a future precision $ee$ Higgs factory would be able to perform a spacetime-resolved test of quantum nonlocality in Higgs boson decays. In simulated $ee\rightarrow ZH \rightarrow (μμ)(ττ)$ events at $\sqrt{s}=240$ GeV, we reconstruct $τ$ lepton decay vertices and measure spin correlations as a function of the spacetime interval between the two $τ$ decays. Such a measurement would be able to test Bell-inequality-violating correlations for spacelike-separated decays, enabling direct exclusion of superluminal, finite-speed entanglement signaling theories. With 0.75 ab$^{-1}$ of integrated luminosity, entanglement signal propagation speeds below $\approx2c$ can be excluded at 95$\%$ CL. Signals establishing any spin correlation can be excluded for speeds below $\approx9c$. This constitutes the first proposed spacetime-resolved measurement of electroweak quantum entanglement at a particle collider and demonstrates a unique capability of future Higgs factories.

FOS: Physical sciences↗
DOE OSTI2022

Digitalization, Management and Synthesis of Thermal Hydraulic Legacy Data Using Dynamical System Scaling

A unique attribute of the nuclear industry is the extent by which designers, developers, operators, and regulators pay attention to demonstrating the safety case. The safety case for nuclear systems is a written, traceable expression of safety, demonstrating the system’s protective measures against uncontrolled radiological releases. The nuclear installation resiliency or safety takes overriding priority over function and performance. The preparation of the safety case heavily relies on extensive experimental campaigns that challenge the target design under a spectrum of postulated accident scenarios. For safety reasons, these experiments are typically conducted in sub-scale test apparatuses intended to reproduce the postulated accident scenarios and event sequences realistically but subject to proven similarity criteria, often referred to as scaling analyses. Since the dawn of the nuclear industry, significant resources have been committed to the construction and operation of such test facilities and a massive amount of data has been generated. Such test data have been and are still used to validate the fundamental assumptions of nuclear power plant phenomena. As we move into the digital world, capturing this multi-decades worth of information in a transparent, easily accessible, and usable manner for the public and industry stakeholders is of paramount importance. Over the last few years FPoliSolutions has been actively developing an enterprise digital data ontology platform (FPoliDON) intended to do just that. The concept was introduced in a paper at the previous NURETH edition and has been significantly enhanced since. With the vision of helping designers use the data to assess their safety case evaluation models, the platform was designed not only to ontologically organize the experimental data, but also to guide the user in the complex analytics associated with the interpretation and use of such test results. A new feature which has been recently added is the ability for the user to access a library of sophisticated mathematical procedures for performing scaling analyses. For this purpose, the Dynamical System Scaling (DSS) procedure invented by Dr. Jose’ Reyes was formulated as one of the services in the digital platform. These methods have been demonstrated to provide an excelled mathematical apparatus to identify similarity criteria or quantify distortions between measured data and the target prototypical conditions. Moreover, DSS can provide a level of synthesis across SETs and IETs which has the promise to yield efficiency in the evaluation code assessment activities. This is often a daunting and expensive task to set up evaluation models that support the safety case of current and future nuclear power plants.

Reyes, Jose↗
DOE OSTI2024

Full-Scale Development and Piloting of a Hybrid Digital Twin for Wastewater Operations Optimization

This full-scale pilot of a machine learning based nutrient controller/digital twin is being done as part of The Water Research Foundation (WRF) project 5121: Development of Innovative Predictive Control Strategies for Nutrient Removal. The overall goal of this project is to develop and full-scale test a hybrid (machine learning + mechanistic model) nutrient management controller at four different water resource recovery facilities (WRRFs). The controller demonstrates both short-term optimization functions and predictive capabilities. This project includes the design of the controller, its performance at the WRRFs, and a description of the future improvements.

Johnson, Bruce↗
DOE OSTI2025

KIPM Detector Characterization in QUIET

Kinetic Inductance Phonon‑Mediated (KIPM) detectors are superconducting microwave resonators that sense energy depositions in the substrate through a transient shift in their resonant frequency. In this work, I installed new devices in the QUIET cryogenic facility and used a network analyzer to drive them across a range of power levels. At each setting, I measured the transmitted signal and fit it to a simple notch‑filter model, allowing us to extract key performance metrics. Despite the increased noise at low power, the model consistently captured the resonance behavior. I first measured the resonance parameters as a function of RF drive power, then repeated the measurement across a range of temperatures to test whether the device behaved like an MKID. While the notch-filter fits captured the resonance reliably, the observed temperature dependence did not match the expected MKID signature — indicating that these first in-house fabricated chips are not yet functioning as true MKIDs. Overall, this reframes our work as a study of resonance parameter extraction and identification, pointing towards future iterations of device design and fabrication to get the true MKID response.

Savitala, Akash [U. Washington, Seattle (main); Fe↗
DOE OSTI2019

Carbon nanotube-based mixed-matrix membranes with supramolecularly engineered interface for enhanced gas separation performance

Here in this study, novel nanocomposite membranes were fabricated from single-walled carbon nanotubes (SWNTs) and a triptycene-containing polyimide. The desirable interfacial morphology and homogenous dispersion of SWNTs were achieved by strong π-π stacking and supramolecular shape-fitting interactions between the nanotube and the paddlewheel-shaped triptycene moieties in polymer matrix. Mixed-matrix membranes (MMMs) containing 2–15 wt% of as-purchased SWNTs (AP-SWNTs) were prepared and tested for their gas transport properties. While all MMMs showed greatly enhanced permeabilities with well-maintained selectivities, a non-linear dependence of permeability on filler content was observed. Another series of MMMs with purified SWNTs (P-SWNTs) and acid-treated SWNT (A-SWNTs) were also prepared. The functionalized A-SWNT MMM exhibited the best separation performance at 2 wt% filler content among all MMMs, which can be attributed to the improved interfacial affinity with carboxylic acid functionalized surface of A-SWNTs.

42 ENGINEERING↗
DOE OSTI2020

Ethylene Dehydroaromatization over Ga‐ZSM‐5 Catalysts: Nature and Role of Gallium Speciation

Abstract Bifunctional catalysis in zeolites possessing both Brønsted and Lewis acid sites offers unique opportunities to tailor shape selectivity and enhance catalyst performance. Here, we examine the impact of framework and extra‐framework gallium species on enriched aromatics production in zeolite ZSM‐5. We compare three distinct methods of preparing Ga‐ZSM‐5 and reveal direct (single step) synthesis leads to optimal catalysts compared to post‐synthesis methods. Using a combination of state‐of‐the‐art characterization, catalyst testing, and density functional theory calculations, we show that Ga Lewis acid sites strongly favor aromatization. Our findings also suggest Ga(framework)–Ga(extra‐framework) pairings, which can only be achieved in materials prepared by direct synthesis, are the most energetically favorable sites for reaction pathways leading to aromatics. Calculated acid site exchange energies between extra‐framework Ga at framework sites comprised of either Al or Ga reveal a site‐specific preference for stabilizing Lewis acids, which is qualitatively consistent with experimental measurements. These findings indicate the possibility of tailoring Lewis acid siting by the placement of Ga heteroatoms at distinct tetrahedral sites in the zeolite framework, which can have a marked impact on catalyst performance relative to conventional H‐ZSM‐5.

Zhou, Yunwen↗
DOE OSTI2025

Fermilab's controls development with virtual accelerator

Control Systems development is often the last thing considered when designing and building new equipment, e.g. a new detector or superconducting RF LINAC; however when the new equipment is installed, it is the first thing desired to be operational for testing. Due to frequent delays in building new equipment and project deadlines, control system development and testing is often curtailed. A way to alleviate this problem is to simulate the control system, though this will be challenging for complex systems.The Fermilab PIP-II (proton improvement plan - II) project is being constructed at Fermilab to deliver $800\,MeV$ protons of $>1\,MW$ beam power to replace the present LINAC for the remainder of the existing accelerator complex. The new LINAC consists of a warm front end (WFE), 23 superconducting RF cryomodules (of 5 types), and a beam transfer line (BTL) to the existing complex.The accelerator physics group has a parallel project to create a digital twin (DT) of the PIP-II accelerator. We have coupled the EPICS controls to this DT and are developing both the DT and EPICS software in parallel. This will allow us to develop the EPICS software framework, the HMIs, sequences, high level physics applications, and other services for use in a fully functional control system.This presentation will detail the work that we have performed to date and show demonstrations of controlling and monitoring the status of the accelerator, as well as future plans for this work.

Hanlet, Pierrick [Fermilab]↗
DOE OSTI2020

Testing of Crystalline Silicotitanate to Support Tank-Side Cesium Removal System Operations - 20458

The direct feed of waste from the Hanford tank farms to the Low-Activity Waste Facility at the Hanford Waste Treatment and Immobilization Plant requires an intermediate treatment step that prepares the waste for vitrification. Washington River Protection Solutions (WRPS) selected a near-tank treatment system known as the Tank-Side Cesium Removal (TSCR) system to perform the required intermediate treatment functions. The approach in the TSCR system is to filter waste supernatant with a sintered metal dead-end filter and then use a series of ion exchange columns to remove cesium; this system has several similarities to the Tank Closure Cesium Removal system that has been deployed on the Savannah River Site. The ion exchange media proposed for use is crystalline silicotitanate (CST), which is a non-elutable media with a high affinity for cesium. Because the media is non-elutable, loaded columns will be blown down with compressed air, moved into interim storage, and replaced with new columns when cesium capacity is reached. The assumed extent and rate of drying that could be achieved in the TSCR column geometry lacked confirmation by experimental data. In addition, once the columns are loaded with cesium, they generate flammable gases (primarily hydrogen) via radiolysis acting on any resident liquids, i.e., moisture, remaining in the media bed. An assessment of available information on CST concluded that gas generation data that bounds expected operational conditions were needed to support the TSCR system safety basis and planned operations. Working with WRPS, Pacific Northwest National Laboratory (PNNL) designed and conducted testing with CST media to address the need for (a) representative in-column drying data, and (b) bounding flammable gas generation data. Drying testing was performed using a full-height column with a diameter of approximately 2 inches with injected air at temperatures of 18 deg. C and 30 deg. C. Gas generation testing was conducted in an engineered bunker that allowed simultaneous irradiation of up to eight samples at a time. These two experimental approaches used at PNNL for the CST testing are summarized and the major outcomes are presented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Matrix-Model Simulations Using Quantum Computing, Deep Learning, and Lattice Monte Carlo

Matrix quantum mechanics plays various important roles in theoretical physics, such as a holographic description of quantum black holes, and it underpins the only practical numerical approach to the study of complex high-dimensional supergravity theories. Understanding quantum black holes and the role of entanglement in a holographic setup is of paramount importance for the realization of a quantum theory of gravity. Moreover, a complete numerical understanding of the holographic duality and the emergence of geometric space-time features from microscopic degrees of freedom could pave the way for new discoveries in quantum information science. Euclidean lattice Monte Carlo simulations are the de facto numerical tool for understanding the spectrum of large matrix models and have been used to test the holographic duality. However, they are not tailored to extract dynamical properties or even the quantum wave function of the ground state of matrix models. Quantum computing and deep learning provide potentially useful approaches to study the dynamics of matrix quantum mechanics. If successful in the context of matrix models, these rapidly improving numerical techniques could become the new Swiss army knife of quantum gravity practitioners. In this paper, we perform the first systematic survey for quantum computing and deep-learning approaches to matrix quantum mechanics, comparing them to lattice Monte Carlo simulations. These provide baseline benchmarks before addressing more complicated problems. In particular, we test the performance of each method by calculating the low-energy spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

17 O NMR Spectroscopy Reveals CO 2 Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials

Carbon dioxide capture technologies are set to play a vital role in mitigating the current climate crisis. Solid-state 17 O NMR spectroscopy can provide key mechanistic insights that are crucial to effective sorbent development. In this work, we present the fundamental aspects and complexities for the study of hydroxide-based CO 2 capture systems by 17 O NMR. We perform static density functional theory (DFT) NMR calculations to assign peaks for general hydroxide CO 2 capture products, finding that 17 O NMR can readily distinguish bicarbonate, carbonate and water species. However, in application to CO 2 binding in two test case hydroxide-functionalised metal-organic frameworks (MOFs) – MFU-4l and KHCO 3 -cyclodextrin-MOF, we find that a dynamic treatment is necessary to obtain agreement between computational and experimental spectra. We therefore introduce a workflow that leverages machine-learning force fields to capture dynamics across multiple chemical exchange regimes, providing a significant improvement on static DFT predictions. In MFU-4l, we parameterise a two-component dynamic motion of the bicarbonate motif involving a rapid carbonyl seesaw motion and intermediate hydroxyl proton hopping. For KHCO 3 -CD-MOF, we combined experimental and modelling approaches to propose a new mixed carbonate-bicarbonate binding mechanism and thus, we open new avenues for the study and modelling of hydroxide-based CO 2 capture materials by 17 O NMR.

NMR spectroscopy↗
DOE OSTI2022

In-situ synthesized N-doped ZnO for enhanced CO 2 sensing: Experiments and DFT calculations

Chemiresistive CO 2 sensing is attractive due to low cost and ease of chip-level integration. Our previous studies (Yong Xia, 2021) showed the well-developed ZnO material fabricated by in-situ annealing exhibited good CO 2 sensing performance. Here, we have expanded on those studies, including CO 2 cyclic tests under both dry air and N 2 background whereby a much higher response to CO 2 in N 2 background was observed. In this study, detailed density functional theory calculations were conducted to understand the behavior. The results indicated nitrogen doping is mainly responsible for the observed response. In the presence of pre-adsorbed O 2 , N-doped ZnO can no longer interact with CO 2 , which agrees well with the observation of higher response in N 2 background. Furthermore, density of states analysis showed N sp 2 hybridized orbital and N 2p orbital of the N dopant mixed with sp 2 hybridized orbital of C atom and 2p orbitals of C/O atoms in CO 2 to form σ and π bonds, respectively. However, they mixed with O 2s/2p orbitals of O atom in O 2 when pre-adsorbed O 2 was present, hindering CO 2 interaction with N-doped ZnO, and resulting in limited response in air. The illustrated mechanism does not only further the understanding of metal oxide-based CO 2 sensing, but also guide the design of new functional materials for CO 2 sensing or capture.

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

Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium–Ligand Bonds

Understanding the electronic structure of coordinatively unsaturated transition-metal compounds and predicting their physical properties are of great importance for catalyst design. Bond dissociation energy D e and bond length r e are two of the fundamental quantities for which good predictions are important for a successful design strategy. In the present work, recent experimentally measured bond energies and bond lengths of VX diatomic molecules (X = C, N, S) are used as a gauge to consider the utility of a number of electronic structure methods. Single-reference methods are one focus because of their efficiency and utility in practical calculations, and multireference configuration interaction (MRCISD) methods and a composite coupled cluster (CCC) method are a second focus because of their potential high accuracy. The comparison is especially challenging because of the large multireference M diagnostics of these molecules, in the range 0.15–0.19. For the single-reference methods, Kohn–Sham density functional theory (KS-DFT) has been tested with a variety of approximate exchange-correlation functionals. Of these, MOHLYP provides the bond dissociation energies in best agreement with experiments, and BLYP provides the bond lengths that are in best agreement with experiments; but by requiring good performance for both the D e and r e of the vanadium compounds, MOHLYP, MN12-L, MGGA_MS1, MGGA_MS0, O3LYP, and M06-L are the most highly recommended functionals. The CCC calculations include up to connected pentuple excitations for the valence electrons and up to connected quadruple excitations for the core–valence terms; this results in highly accurate dissociation energies and good bond lengths. In conclusion, averaged over the three molecules, the mean unsigned deviation of CCC bond energies from experimental ones is only 0.4 kcal/mol, demonstrating excellent convergence of theory and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pt Nanoparticles on Atomic-Metal-Rich Carbon for Heavy-Duty Fuel Cell Catalysts: Durability Enhancement and Degradation Behavior in Membrane Electrode Assemblies

Proton exchange membrane fuel cells (PEMFCs) are a promising zero-emission power source for heavy-duty vehicles (HDVs). However, long-term durability of up to 25,000 h is challenging because current carbon support, catalyst, membrane, and ionomer developed for traditional light-duty vehicles cannot meet the stringent requirement. Therefore, understanding catalyst degradation mechanisms under the HDV condition is crucial for rationally designing highly active and durable platinum group metal (PGM) catalysts for high-performance membrane electrode assemblies (MEAs). Herein, we report a PGM catalyst consisting of platinum nanoparticles with a high content (40 wt %) on atomic-metal-site (e.g., MnN 4 )-rich carbon support. MEAs with the Pt (40 wt %)/Mn–N–C cathode catalyst achieved significantly enhanced performance and durability, generating 1.41 A cm –2 at 0.7 V under HDV conditions (0.25 mgPt cm –2 and 250 kPa abs pressure) and retaining 1.20 A cm –2 after an extended and accelerated stress test up to 150,000 voltage cycles. Electron microscopy studies indicate that most fine Pt nanoparticles are retained on or/and in the carbon support covered with the ionomer throughout the catalyst layer at the end of life. During the long-term stability test, the observed electrochemical active surface area reduction and performance loss primarily result from Pt depletion in the catalyst layer due to Pt dissolution and redeposition at the interface of the cathode and membrane. Importantly, the first-principle density functional theory calculations further reveal a support entrapment effect of the Mn–N–C, in which the MnN 4 site can specifically adsorb the Pt atom and further retard the Pt dissolution and migration, therefore enhancing long-term MEA durability.

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

High-energy ballistic electrons in low-pressure radio-frequency plasmas

This study demonstrates the presence of a small number of high-energy ballistic electrons (HEBEs) that originate from secondary electrons in low-pressure radio-frequency (rf) plasmas. The kinetic behaviors of the HEBEs are illustrated through electron energy probability functions from the fully kinetic particle-in-cell simulations, showing two wavy high-energy tails and two bifurcations during one rf cycle. Test-particle simulations and a semi-analytical method associated with nonlocal electron kinetics are performed to characterize the HEBE trajectories, which reveal the ballistic nature of the HEBEs and their typical bouncing features between the rf sheaths. Parameter dependence of the HEBEs on the discharge conditions (e.g., gas pressure, gap distance, and rf frequency) are identified, which is relevant to the plasma collisionality. With a pronounced presence of HEBEs, the overall impacts of the secondary electron emission on discharge parameters, such as electron power absorption and ionization rate, are also illustrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Static Graphs for Coding Productivity in OpenACC

The main contribution of this work is to increase the coding productivity for GPU programming by using the concept of Static Graphs. To do so, we have combined the new CUDA Graph API with the OpenACC programming model. We use as test cases a well-known and widely used problems in HPC and AI: the Particle Swarm Optimization. We complement the OpenACC functionality with the use of CUDA Graph, achieving accelerations of more than one order of magnitude, and a performance very close to a reference and optimized CUDA code. Finally, we propose a new specification to incorporate the concept of Static Graphs into the OpenACC specification.

Toledo, Leonel↗
DOE OSTI2022

Radiological Considerations Supporting the American Medical Isotope Producer Niowave

This report provides a summary of work performed by Savannah River National Laboratory (SRNL) during FY22 in support of Niowave, an American Medical Isotope Production (AMIP) facility. SRNL served in a technical support role, funded by NA-231, supporting Niowave in the beginning of non radiological functional testing of their airport facility in FY22. Through this agreement, SRNL provides Niowave access to subject matter experts (SMEs) for questions that may arise during the drafting of engineering plans, facility policies, and/or response procedures. This report summarizes discussions between SRNL and Niowave about guidance concerning issues with the floor of the hot cells, dispersible removable contamination (beta emitting fission product), hot cell operation specifically utilization of cameras or mirrors, and the process for removing contaminated waste from the hot cell. Lessons learned and other various resources provided to Niowave by SRNL during FY22 are referenced in this report. This work was funded through NNSA’s Office of Material Management and Minimization, Conversion Office (NA-231).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗