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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Atomic oxygen density determination in the effluent of the COST reference source using in situ effective lifetime measurements in the presence of a liquid interface

Abstract Spatially resolved, absolute densities of atomic oxygen are measured for several helium-based admixtures in the effluent of the COST Reference Microplasma Jet using two-photon absorption laser induced fluorescence (TALIF). Admixtures investigated include a helium-only admixture, four helium/oxygen admixtures (0.1 % , 0.5 % , 0.6 % , and 1.0 % oxygen), and a helium/water admixture (2500 ppm water), chosen to coincide with previously published characterizations of plasma-treated liquid. The atomic oxygen TALIF signal is calibrated for density using the noble gas xenon, which possesses a very similar two-photon excitation and fluorescence scheme. Measurements are conducted for the jet operating in ambient air with both an open effluent and a liquid surface present, allowing for comparison with liquid phase measurements conducted under similar conditions. The presence of a water surface does not appear to alter the background chemistry in the effluent but reduces O densities close to the liquid interface when compared to a similar distance from the nozzle in an open effluent case. This may be the result of a reduction in flow velocity caused by the liquid obstructing the gas flow. Additionally, measurements near the liquid surface revealed a region of atomic oxygen well outside of where the core of the effluent impinges on the liquid. This is likely relevant for applications as it considerably expands the surface area subject to O absorption. Critically, in situ measurements of the effective lifetimes of the laser-excited 3p 3 P J state of atomic oxygen were recorded in the effluent by employing a picosecond (ps) laser and a nanosecond (ns) ICCD. By experimentally determining the contribution from collisional quenching via the in situ effective lifetime measurements, significant improvements in the accuracy of the atomic oxygen density calibration were made, with differences of approximately 30 % from existing methods of estimating quenching rates at atmospheric pressure. Finally, spatially resolved atomic oxygen densities allow for an investigation of O formation and extinction pathways in the effluent and a comparison between admixtures.

laser diagnostics↗
DOE OSTI2020

Two good metals make a semiconductor: A potassium-nickel compound under pressure

We predict a potassium-nickel intermetallic compound K 2 Ni at high pressure and identify it as the long-sought structure of the only known K-Ni compound to date. Although both constituent elements are metallic, K 2 Ni exhibits a semiconducting ground state with an indirect band gap of 0.65 eV. Electron instability due to the degeneracy at the Fermi level arises from the particular motif of the structure, which in turn induces symmetry-breaking Peierls distortion and a nonmetallic ground state. Overall, the results indicate that the chemical properties of elements can change dramatically under extreme conditions and have significant implications for the postulation that potassium is incorporated in Earth's core.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Two-phase operation of a Terry steam turbine using air and water mixtures as working fluids

Terry steam turbines are employed in the safety systems of many nuclear Boiling Water Reactors to drive pumps and provide cooling water to the nuclear reactor core. While the turbine efficiency is low, the more important feature is high reliability under off-normal conditions. An important aspect of reliability is the ability to function with two-phase steam-water injection into the turbine, as most likely occurred in the Fukushima Dai-ichi nuclear accidents. This study investigates the characteristics of a Terry turbine during air-water injection with gas mass fractions ranging from 1 (dry gas) to 0.05 (wet gas), to better understand the Terry turbine’s true operational capabilities and provide justification for extended Terry turbine use for reactor safety. Other parameters investigated are the inlet pressure, the exhaust backpressure and the turbine’s rotational speed. The turbine performance is presented in terms of dynamometer loading and pump performance change as functions of the gas mass fraction.

42 ENGINEERING↗
DOE OSTI2023

Development of an Advanced Hydrogen Energy Storage System using Aerogel in a Cryogenic Flux Capacitor

The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by the principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m 2 /g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature and high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, constructed from readily available commercial materials, and lends itself to a range of pressure applications. The project team designed and manufactured the CFC, integrating it into a set of temperature-controlled flow loops. The CFC test setup was validated against existing data from previous NASA work. Tests used bottled hydrogen gas for test validation. A cryogenic fluid, nitrogen, flowed through a metered control system. Hydrogen temperature, pressure, and flow rates, as well as the temperature control targets, provided all necessary control targets. The team analyzed the recorded data and updated the Technology Maturation Plan based on the results of the test, making recommendations for a follow-up test, scale-up, and maturation pathway. For the engineering development and maturation of CFC hydrogen storage technology, a Techno-Economic Assessment (TEA) and Commercialization Plan for the integration of this technology with various power generation assets were produced. A companion analytical model was developed, experimentally validated, compared against performance metric, and used to tune the model and scale up the technology.

08 HYDROGEN↗
DOE OSTI2026

One Earth Energy Static and Dynamic Reservoir Modeling

This report presents the static and dynamic reservoir modeling conducted for the CarbonSAFE Phase III Illinois Storage Corridor project to assess the feasibility of commercial-scale CO 2 storage in the Mt. Simon Sandstone at the One Earth Energy (OEE) site in McLean County, Illinois. Three-dimensional geocellular models of the Mt. Simon storage complex were developed in Petrel ® by integrating petrophysical log data, core analyses, and seismic surveys from the OEE #1 stratigraphic test well and two nearby wells, with multiple model versions created as new data became available. Dynamic reservoir simulations, performed using Landmark's Nexus software, progressed through three phases (preliminary, sensitivity, and UIC Class VI permit studies) evaluating injection scenarios across varying rates, well orientations, permeability models, and multi-well configurations. Results demonstrate that commercial-scale storage is feasible: three injection wells spaced approximately one mile apart can store a total of 90 million tonnes of CO 2 over 20 years, producing a combined plume with an equivalent radius of 3.2 miles and a maximum pressure-front-defined Area of Review of 178 mi 2 at the end of injection that diminishes to 34 mi 2 after 50 years of post-injection monitoring. Sensitivity analyses indicate that a 20% change in porosity or permeability yields approximately a 7% change in AoR radius, and that perforating the high-permeability arkosic zone minimizes the pressure front compared to injection in the upper Mt. Simon Sandstone.

09 BIOMASS FUELS↗
DOE OSTI2020

Spin-polarized Neutron Matter, the Maximum Mass of Neutron Stars, and GW170817

In this work, we investigate how a phase transition from neutron-star matter to spin-polarized neutron matter affects the equation of state and mass–radius relation of neutron stars. While general extension schemes for the equation of state allow for high pressures inside neutron stars, we find that a phase transition to spin-polarized neutron matter excludes extreme regimes. Hence, such a transition limits the maximum mass of neutron stars that lie below 2.6–2.9 M ⊙ , depending on the microscopic nuclear forces used, while significantly larger masses could be reached without these constraints. Furthermore, these limits are in good agreement with recent constraints extracted from the neutron-star merger GW170817 and its electromagnetic counterpart. Assuming the description in terms of spin-polarized neutron matter to be valid in the center of neutron stars, we find that stars with a large spin-polarized domain in their core are ruled out by GW170817.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Assessment of Thin Plastic Scintillation Detectors for Beta-Particle Measurements at the Advanced Test Reactor Critical Facility

The Fission Wire Measurement System is a custom measurement system designed in the 1960s to measure the beta-particle activity of irradiated uranium-aluminum fission wires. This measurement is conducted to determine the fission rate profile of the Advanced Reactor Test Critical facility. The Advanced Test Reactor Critical facility is an open-pool, low-power test reactor used to qualify experiment configurations and verify core models prior to full-power experiment irradiations in the Advanced Test Reactor. Power distribution measurements in ATR-C use uranium-aluminum wires that are distributed throughout the core to validate simulation and modeling results. These measurements require from 340 to 1500 wires to be irradiated and measured within a 12-hour window. The system consists of 4 measurement channels and one reference channel, each with a 2-pi proportional gas flow detector and the measurement channels each have an automated sample changer. The gas flow detectors are of a custom design for this detector system that use methane gas with a large anode wire compared to modern proportional counters. These detectors, which are nearly 60 years old are irreplaceable. The measurements from these gas detectors are affected by the gas flow rate, atmospheric and line pressure, and are very sensitive to the applied high voltage. Recent improvements have been made to the control and data acquisition system, but the detectors have remained the same. The nature of the measurement of the fission product decay activity is such that the energy spectrum of the signal is changing with time. Thin, 250-um thick, plastic scintillators were commercially obtained as a potential replacement for the gas flow detectors. The original calibration of the uranium-aluminum fission wires was conducted in 1965 using a series of irradiations of gold foils and the wires in a well-characterized thermal neutron field. These measurements provided a time-dependent fission rate conversion factor from the gold foil data to calibrate the fission wires based on the response from the 2-pi proportional gas detectors. Transitioning to the new detectors requires qualification and testing. The sensitivity of the scintillators to changes in the energy spectrum of the fission wires and translation of the calibration factor have been completed. These measurements indicated that the sensitivity of the scintillators over time changes at a different rate than the sensitivity of the gas flow detectors. However, the inverse activity of measurements of both detector types is linear with time. Initial results indicate that the scintillator detectors will be a sufficient replacement for the gas detectors with minor adjustments to the fission rate conversion factor. Replacement of the detectors will improve the fission wire measurements and provide a more stable and reliable measurement system.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2021

Evolution of eggshell structure in relation to nesting ecology in non-avian reptiles

Amniotic eggs are multifunctional structures that enabled early tetrapods to colonize the land millions of years ago, and are now the reproductive mode of over 70% of all terrestrial amniotes. Eggshell morphology is at the core of animal survival, mediating the interactions between embryos and their environment, and has evolved into a massive diversity of forms and functions in modern reptiles. These functions are critical to embryonic survival and may serve as models for new antimicrobial and/or breathable membranes. However, we still lack critical data on the basic structural and functional properties of eggs, particularly of reptiles. Here, we first characterized egg shape, shell thickness, porosity, and mineralization of eggs from 91 reptile species using optical images, scanning electron microscopy, and micro computed tomography, and collected data on nesting ecology from the literature. We then used comparative analyses to test hypotheses on the selective pressures driving their evolution. We hypothesized that eggshell morphology has evolved to protect shells from physical damage and desiccation, and, in support, found a positive relationship between thickness and precipitation, and a negative relationship between porosity and temperature. Although mineralization varied extensively, it was not correlated with nesting ecology variables. Ancestral state reconstructions show thinning and increased porosity over evolutionary time in squamates, but the opposite in turtles and crocodilians. Egg shape, size, porosity and calcification were correlated, suggesting potential structural or developmental tradeoffs. This study provides new data and insights into the morphology and evolution of reptile eggs, and raises numerous questions for additional research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

First result of boronization assisted by the ICWC on EAST with full metal wall

Boron (B), a low-Z (atomic number) material, has been widely utilized in wall conditioning to improve plasma performance in fusion devices. In 2023, boronization was successfully conducted on EAST featuring an ITER-like tungsten divertor and fully metallic first wall. The process employed predischarge coating with carborane (C 2 B 10 H 12 ) as the working material, assisted by ion cyclotron wall conditioning (ICWC). After one time 12 g boronization, it was found the thickness of B film was approximately 120 nm. Post-boronization observations indicated that substantial hydrogen (H) release during initial plasma discharges compared with the consumed W/B wall, attributed to H co-deposition during the ICWC-boronization processing, which led to uncontrollable divertor neutral pressure and plasma density. The H/(H + D) ratio demonstrated a gradual reduction from ∼85% to 30% over more than 1850 s of deuterium plasma, with a cumulative injected energy of 2325 MJ. The B coating significantly enhanced the stored energy in plasma and improved confinement performance. The stored energy in plasma showed an increase of about 20%, primarily due to a reduction in impurity radiation, including oxygen (O) and heavy impurities such as tungsten (W), iron (Fe), and copper (Cu). The effective ion charge (Z eff ) decreased from 2.3 to 2.0. Following ICWC-boronization, the line-integrated radiation profile decreased by nearly 35% in the plasma core, plasma density and electron temperature exhibited an increase of ∼7% and 12% due to enhanced wall fueling and reduced impurity radiation. The lifetime of boronization, as evaluated by the line emissions from boron and other impurity radiation, was about 1700 s of deuterium plasma, with a cumulative injected energy of 2125 MJ on EAST. These findings provide significant insights for evaluating ICWC-boronization applicability in ITER with full W wall structure.

EAST↗
DOE OSTI2020

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗
DOE OSTI2022

Modeling of a 43 GHz microplasma within a photonic crystal

The electron density (n e ) and argon metastable density (1 s 5 ) of a 43GHz microplasma are obtained using the zero-dimensional plasma kinetics solver (ZDPlasKin®) for an incident power of 160 and 1000mW and argon pressures of 10–600Torr (1.3 ×10 3 to 8.0 × 10 4 Pa). These simulations are compared with previously published experimental data. To determine the self-consistent electric field in the modeled plasma, the three-dimensional millimeter wave fields are computed as a function of electron density using ANSYS EM19.2, HFSS®. This electromagnetic field model is coupled to ZDPlasKin such that any increase in the simulated plasma density correctly attenuates the simulated electric field within the microplasma. The electron density is found to be sensitive to argon gas temperature, so a two-zone temperature model was needed to obtain agreement with experimental measurements. The temperature in the central core of the microplasma was determined by a previous experimental study. That temperature was used as an input to the model for the simulation of volume recombination losses. The outer regions of the microplasma are assumed to be in equilibrium with the walls (300K). This second temperature was used in the model to determine diffusion losses. The modeled electron and metastable densities are of the order 10 20 and 10 18 m –3 , respectively. This is in good agreement with those measured experimentally as long as the two-zone temperature model is used. In the absence of a hot gas core, the modeled three-body recombination rates are excessive and the simulation severely under-predicts the electron density and over-estimates the metastable density. We conclude that the millimeter wave microplasma has a hot core (2500K at 600 Torr) that rarifies the argon gas and effectively reduces three-body recombination. Furthermore, this allows one to achieve high electron density on the order of 10 20 m –3 with only 100mW of wave power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Multistage nucleation pathway in LiF molten salt mirrors the crystal–melt interface structure

Despite over a century of studies, fundamental questions remain about the processes governing crystal nucleation from melts or solutions. Research over the past three decades has presented mounting evidence for kinetic pathways of crystal nucleation that are more complex than envisioned by the simplest forms of classical theory. Such observations have been presented for colloidal and elemental systems with covalent and metallic bonding. Despite the technological and geochemical importance of molten salts, similar studies for these ionically bonded systems are currently lacking. Here we develop a machine learning interatomic potential for a model ionic system: LiF. The potential features quantum-level accuracy for both liquid and multiple solid polymorphs over wide temperature and pressure ranges and accurately reproduces experimentally measured properties. Thanks to the efficiency of the potential, which enables microsecond-scale molecular dynamics simulations, induction times for nucleation of LiF solids from their melts are computed over a range of undercoolings. With the aid of a set of robust local order parameters established here, the simulations reveal that homogeneous crystal nucleation in undercooled melts preferentially initiates from liquid regions showing slow dynamics and high bond orientational order simultaneously, and the second-shell order of both precritical nuclei and the surface of postcritical nuclei is dominated by hexagonal close packing and body-centered cubic local structure, even though the nucleus core is dominated by face-centered cubic structure corresponding to the stable rocksalt crystal structure. Finally, we establish a connection between the crystallization pathway and the equilibrium crystal-melt interface structure.

Applied Physical Sciences↗
DOE OSTI2022

Initial development of a generic fluoride salt-cooled reactor model

Fluoride high-temperature reactors (FHRs) are high-temperature, low-pressure reactor concepts that use tri-structural isotropic (TRISO) fuel and molten fluoride salt coolant. These reactors have the potential to provide both electrical power and high-temperature process heat. We used generic FHR parameters for a pebble-bed FHR to develop an initial model with fresh fuel for a generic FHR (gFHR) in MELCOR and SCALE (NEWT and KENO). In this paper, we present the development of our gFHR models, which will serve as the baseline for a sensitivity and uncertainty analysis to quantify the range of possible source terms for FHRs in severe accidents. We present MELCOR results for fuel and coolant temperatures through the core, a nodalization study for the steady-state thermal hydraulic model, and development of reactor physics models in SCALE. As this work progresses, these models will be used to calculate source terms for a loss-of-forced-flow accident and to conduct a sensitivity study on this accident to establish a range of possible source terms. SCALE will provide reactor physics parameters like isotopic inventory, decay heat generation, and temperature coefficients of reactivity. Using the uncertainty quantification tools within SCALE, we will generate distributions for those parameters and will use the uncertainty quantification code RAVEN or DAKOTA to sample those distributions in MELCOR to quantify the impact of reactor physics and thermal hydraulic uncertainties on FHR source terms. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Integrating AI Data Centers with the Power Grid

The rapid expansion of artificial intelligence (AI) has triggered an unprecedented surge in electricity demand, with US data center energy use projected to double or triple 2023 levels by 2028. This exponential growth places strain on grid infrastructure, which can hinder timely construction of desired computing capacity. To bridge this supply-demand gap, utilities and AI developers are increasingly turning to demand flexibility, a strategy that incentivizes shifting or reducing power use during peak periods of grid stress. Data centers are uniquely equipped for flexible operations due to their digital workloads, built-in redundancy, and onsite energy assets. This article outlines four primary mechanisms to enable data center flexibility: computational load flexibility (shifting tasks temporally or geographically), flexible use of core facility infrastructure adjustments, energy storage utilization, and onsite electricity generation. To encourage adoption, utilities are deploying new tariff designs, including voluntary interruptible service riders, mandated flexibility requirements, and streamlined interconnection processes for flexible loads. For the highly capitalized and rapidly growing AI industry, the primary motivators for embracing these strategies are expediting facility interconnection, satisfying emerging regulatory mandates, and mitigating community resistance. While demand flexibility cannot substitute the long-term need for new bulk power generation, it serves as an essential, immediate solution for enabling near-term deployment. By transforming data centers from grid stressors into stabilizing assets, flexible operations can ensure reliable grid integration, ease market pressures, and support a resilient power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

MPACT Verification With Magnox Reactor Neutronics Progression Problems

MPACT is a state-of-the-art core simulator designed to perform high-fidelity analysis using whole-core, three-dimensional, pin-resolved neutron transport calculations on modern parallel computing hardware. MPACT was originally developed to model light water reactors, and its capabilities are being extended to simulate gas-cooled, graphite-moderated cores such as Magnox reactors. To verify MPACT’s performance in this new application, the code is being formally benchmarked using representative problems. Progression problems are a series of example models that increase in complexity designed to test a code’s performance. The progression problems include both beginning-of-cycle and depletion calculations. Reference solutions for each progression problem have been generated using Serpent 2, a continuous-energy Monte Carlo reactor physics burnup calculation code.Using the neutron multiplication eigenvalue ke as a metric, MPACT’s performance is assessed on each of the progression problems. Initial results showed that MPACT’s multi-group cross section libraries, originally developed for pressurized water reactor problems, were not sufficient to accurately solve Magnox problems. MPACT’s improved performance on the progression problems is demonstrated using this new optimized cross section library.

Luciano, Nicholas↗
DOE OSTI2023

Utah FORGE Core Material Friction Experiments

The following folders contain 3 friction experiments on Utah FORGE core material from depths of 6735 - 8533ft. The experiment conditions range from 100% relative humidity at room temperature to fluid-saturated at 110C. Experiments were done on both intact samples in a single-direct shear configuration, double-direct shear, and gouge.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Quarkyonic matter equation of state in beta-equilibrium

Quark matter may appear due to a hadronic-quark transition in the core of a hybrid star. Quarkyonic matter is an approach in which both quarks and nucleons appear as quasiparticles in a crossover transition, and provides an explicit realization of early ideas concerning quark matter (e.g., the MIT bag model). This description has recently been employed by McLerran and Reddy to model chargeless (pure neutron) matter with an approach that has the virtue that the speed of sound rises quickly at a neutron-quark transition so as to satisfy observational constraints on the neutron star maximum mass (≳ 2 $M_⊙$) and the radius of a 1.4 $M_⊙$ star ($R_{1.4}$ ≲ 13.5 km). Traditional models involving first-order transitions result in softer pressure-energy density relations that have difficulty satisfying these constraints except with very narrow choices of parameters. Here, we propose a variation of quarkyonic matter involving protons and leptons whose energy can be explicitly minimized to achieve both chemical and beta equilibrium, which cannot be done in the chargeless formulation. Quarkyonic stellar models are able to satisfy observed mass and radius constraints with a wide range of model parameters, avoiding the obligatory fine-tuning of conventional hybrid star models, including requiring the transition density to be very close to the nuclear saturation density. Our formulation fits experimental and theoretical properties of the nuclear symmetry energy and pure neutron matter, and contains as few as three free parameters. This makes it an ideal tool for the study of high-density matter that is an efficient alternative to piecewise polytrope or spectral decomposition methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗