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NASA NTRS1981

A Diagonal Form of an Implicit Approximate-Factorization Algorithm

A modification of an implicit approximate-factorization finite-difference algorithm applied to partial differential equations is presented. This algorithm is applied to the two- and three-dimensional Euler equations in general curvilinear coordinates. The modification transforms the coupled system of equations into an uncoupled diagonal form that requires less computational work. For steady-state applications, the resulting diagonal algorithm retains the stability and accuracy characteristics of the original algorithm. The diagonal algorithm reduces the storage requirement of the implicit solution process and therefore has an important effect on the application of implicit finite-difference schemes to vector processors. Results are presented for realistic two-dimensional transonic flow fields about airfoils. Computation costs are reduced 24-34%.

Pulliam, T. H.↗

NASA NTRS2005

Simulation of Laser Cooling and Trapping in Engineering Applications

An advanced computer code is undergoing development for numerically simulating laser cooling and trapping of large numbers of atoms. The code is expected to be useful in practical engineering applications and to contribute to understanding of the roles that light, atomic collisions, background pressure, and numbers of particles play in experiments using laser-cooled and -trapped atoms. The code is based on semiclassical theories of the forces exerted on atoms by magnetic and optical fields. Whereas computer codes developed previously for the same purpose account for only a few physical mechanisms, this code incorporates many more physical mechanisms (including atomic collisions, sub-Doppler cooling mechanisms, Stark and Zeeman energy shifts, gravitation, and evanescent-wave phenomena) that affect laser-matter interactions and the cooling of atoms to submillikelvin temperatures. Moreover, whereas the prior codes can simulate the interactions of at most a few atoms with a resonant light field, the number of atoms that can be included in a simulation by the present code is limited only by computer memory. Hence, the present code represents more nearly completely the complex physics involved when using laser-cooled and -trapped atoms in engineering applications. Another advantage that the code incorporates is the possibility to analyze the interaction between cold atoms of different atomic number. Some properties that cold atoms of different atomic species have, like cross sections and the particular excited states they can occupy when interacting with each other and light fields, play important roles not yet completely understood in the new experiments that are under way in laboratories worldwide to form ultracold molecules. Other research efforts use cold atoms as holders of quantum information, and more recent developments in cavity quantum electrodynamics also use ultracold atoms to explore and expand new information-technology ideas. These experiments give a hint on the wide range of applications and technology developments that can be tackled using cold atoms and light fields. From more precise atomic clocks and gravity sensors to the development of quantum computers, there will be a need to completely understand the whole ensemble of physical mechanisms that play a role in the development of such technologies. The code also permits the study of the dynamic and steady-state operations of technologies that use cold atoms. The physical characteristics of lasers and fields can be time-controlled to give a realistic simulation of the processes involved such that the design process can determine the best control features to use. It is expected that with the features incorporated into the code it will become a tool for the useful application of ultracold atoms in engineering applications. Currently, the software is being used for the analysis and understanding of simple experiments using cold atoms, and for the design of a modular compact source of cold atoms to be used in future research and development projects. The results so far indicate that the code is a useful design instrument that shows good agreement with experimental measurements (see figure), and a Windows-based user-friendly interface is also under development.

Ramirez-Serrano, Jaime↗

NASA NTRS2012

Comparative Modal Analysis of Sieve Hardware Designs

The CMTB Thwacker hardware operates as a testbed analogue for the Flight Thwacker and Sieve components of CHIMRA, a device on the Curiosity Rover. The sieve separates particles with a diameter smaller than 150 microns for delivery to onboard science instruments. The sieving behavior of the testbed hardware should be similar to the Flight hardware for the results to be meaningful. The elastodynamic behavior of both sieves was studied analytically using the Rayleigh Ritz method in conjunction with classical plate theory. Finite element models were used to determine the mode shapes of both designs, and comparisons between the natural frequencies and mode shapes were made. The analysis predicts that the performance of the CMTB Thwacker will closely resemble the performance of the Flight Thwacker within the expected steady state operating regime. Excitations of the testbed hardware that will mimic the flight hardware were recommended, as were those that will improve the efficiency of the sieving process.

flight hardware↗

DOE OSTI2023

Actinide Radiation Chemistry and Used Nuclear Fuel Reprocessing

Although the actinides boast many unique physical and chemical properties, their inherent susceptibility to radioactive decay—and subsequent consequences of radiation-induced chemistry—are what make them truly interesting and challenging elements to understand. From a closed nuclear fuel cycle perspective, the ability to predict and control the effects of actinide-driven radiolysis is critical for the design, development, and deployment of advanced used nuclear fuel reprocessing strategies and technologies. The absorption of ionizing radiation from actinide decay leads to the formation of a variety of transient and steady-state radicals, ions, and molecular radiolysis products that can lead to significant changes in a reprocessing solvent system’s physical and chemical properties, which ultimately limits that process’ efficiency and longevity. Presented here is an overview of recent advances in actinide radiation chemistry as it applied to used nuclear fuel reprocessing.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Influence of diluent concentration in localized high concentration electrolytes: elucidation of hidden diluent-Li + interactions and Li + transport mechanism

Localized high concentration electrolytes (LHCE) offer a viable dilution strategy for high concentration electrolytes (HCE) as the dilution process barely impacts the enhanced reductive/oxidative behavior of the HCE formulation but significantly lowers the overall viscosity and, in most cases, increases the ionic conductivity. On the other hand, experimental studies indicate that fluorinated ether electrolytes such as 1,1,2,2-tetrafluoroethylene 2,2,3,3-tetrafluoropropyl ether (TTE) help grow enhanced passivation layers on Ni-rich NMC cathodes. In this work, we study LHCE formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and TTE as the diluent. Here we use molecular dynamics methodologies, and Raman spectra measurements, to address to what extent the diluent content impacts the coordination behavior of the aggregated structures in the electrolyte and to evaluate the Li + transport properties under the influence of an external electric field. In contrast to other fluorinated ethers, we find that TTE interacts with Li + via fluorine atoms, partially limiting the DMC–Li + interactions hence altering the Li + solvation coordination. This competitive interaction with Li+ between the organic solvent and the TTE diluent influences the electrolyte's reductive/oxidative behavior. Nevertheless, the bonding strength of the Li + –F TTE is much weaker than those of the Li + –O DMC and Li + –OFSI – . Therefore, the existence of Li + –F TTE is in a transient state rather than in a steady state. These results provide plausible guiding rules for future dilution strategies of HCE electrolytes. We also demonstrate that Li + ions drift under the electric field's influence via repeated ion dissociation/association processes following a hopping conduction mechanism. Li + ions jump between aggregated networks where Li–O interactions dominate via diluent-enriched phases, a process in which the solvation shells temporarily mutate to a Li–F dominated coordination structure. We expect our results to contribute an improved atomic-level understanding of the solvation structure and dynamics of LHCE electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Grid-Integrated Production of Fischer-Tropsch Synfuels from Nuclear Power

Idaho National Laboratory (INL) investigates the relative economic profitability of an integrated energy system (IES) coupling an NPP with a synfuel production process at selected case study locations across the United States. In the synfuel IES, a high-temperature steam electrolysis (HTSE) plant is thermally and electrically coupled with an NPP to produce zero-carbon hydrogen. The synthetic fuel is produced from this H 2 combined with a CO 2 supply using the reverse water gas shift process followed by the Fischer-Tropsch (FT) reaction. This analysis considers a system in which the CO 2 is sourced from regional CO 2 emitters via the construction and operation of pipeline-based CO 2 supply networks. Locating the FT plant at the same site as the NPP and HTSE plants enables the NPP to provide zero-carbon heat and power to the HTSE plant and zero-carbon power to the FT plant as well as avoid the requirement for long-distance H 2 product transport from the HTSE plant to the FT plant. Hydrogen storage is used to enable the NPP to dispatch power to the electrical grid (instead of the HTSE plant) when grid demand increases, thus enabling the FT plant to continue to operate in a steady-state production mode. The ability to cease hydrogen production for several hours within each day enables the NPP to provide power to the grid to balance the electricity market during peak periods and maximize revenues for the nuclear synfuel IES. The FT process design considered has a 99% carbon conversion efficiency. The use of nuclear energy and nuclear energy-derived hydrogen enables synfuel production to achieve this high level of carbon utilization. Additionally, the life-cycle carbon emissions of the nuclear-based synfuel production process are very low, with WTW emissions of approximately 25 gCO 2 e/MJ, including steam credits (generated from FT process excess heat), and approximately 7 gCO 2 e/MJ, if steam credits are excluded. This compares favorably with the WTW emissions of 90.5 gCO 2 e/MJ for a compression-ignition, direct injection (CIDI) vehicle with a fuel economy of 31.6 miles per gallon gasoline equivalent (MPGGE), using low-sulfur diesel produced using conventional petroleum production and refining processes. Several NPPs in various regions of the U.S. are considered as case study analyses. Supply locations and transportation via pipeline of the CO 2 feedstock to the NPP site are analyzed through the National Energy Technology Laboratory (NETL) CO 2 Transport Cost model. The team finds that the amount of CO 2 generated by different sectors is sufficient for the synfuel production process at all locations considered. The CO 2 transportation costs are functions of the distance of the source to the NPP location, the CO 2 capture cost at the source, and the quantity of CO 2 transported. Historical electricity prices for the NPP case study locations are collected and analyzed. Monthly average prices, price range, and duration of negative-price periods vary among these locations. For each location, an auto-regressive moving average (ARMA) model is trained on historical electricity price data. ARMA validation is done to ensure the synthetic price distributions represent one of historical prices with high fidelity. Synthetic time series from these ARMA models are used in a coupled dispatch and system optimization in the Holistic Energy Resource Optimization Network (HERON) to compute the differential net present value (NPV) of the IES. The team finds that this econometric is positive, ranging from $14M–1.3bn (2020) depending on the location. The optimal synfuel IES configuration to obtain this increase in NPV often maximizes the size of the synfuel production process with regards to the size of the NPP. However, the team shows that the NPP still plays a stabilizing role for the grid: In periods of high prices and high loads, more electricity from the NPP is sent to the grid. A high variability of electricity prices and extreme maximum prices tend to drive up electricity production. While it requires significant investment, the synfuel IES could increase the economic profitability for the existing fleet of LWRs across the country while still maintaining the grid stabilizer role of NPPs. During its lifetime, the main costs for the nuclear synfuel IES are the carbon feedstock transportation costs, followed by the capital expenses (CAPEX) and operation and maintenance (O&M) costs while the revenue comes first from the IRA H 2 production tax credit (PTC) and then from the sales of synfuel products. The profitability of the synfuel IES is most sensitive to the value of the hydrogen PTC and the synfuel products as well as the cost of the carbon feedstock, highlighting the importance of governmental incentives regarding hydrogen, carbon emissions, and synfuel in driving the deployment of future nuclear synfuel IESs.

08 HYDROGEN↗

NASA NTRS2015

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

residual stress↗

NASA NTRS1993

Coronal heating by the resonant absorption of Alfven waves - Importance of the global mode and scaling laws

Numerical simulations of the MHD equations for a fully compressible, low-beta, resistive plasma are used to study the resonance absorption process for the heating of coronal active region loops. Comparisons with more approximate analytic models show that the major predictions of the analytic theories are, to a large extent, confirmed by the numerical computations. The simulations demonstrate that the dissipation occurs primarily in a thin resonance layer. Some of the analytically predicted features verified by the simulations are (a) the position of the resonance layer within the initial inhomogeneity; (b) the importance of the global mode for a large range of loop densities; (c) the dependence of the resonance layer thickness and the steady-state heating rate on the dissipation coefficient; and (d) the time required for the resonance layer to form. In contrast with some previous analytic and simulation results, the time for the loop to reach a steady state is found to be the phase-mixing time rather than a dissipation time. This disagreement is shown to result from neglect of the existence of the global mode in some of the earlier analyses. The resonant absorption process is also shown to behave similar to a classical driven harmonic oscillator.

Steinolfson, Richard S.↗

NASA NTRS1976

A simplified analytical solution for thermal response of a one-dimensional, steady state transpiration cooling system in radiative and convective environment

A simplified analytical method for calculation of thermal response within a transpiration-cooled porous heat shield material in an intense radiative-convective heating environment is presented. The essential assumptions of the radiative and convective transfer processes in the heat shield matrix are the two-temperature approximation and the specified radiative-convective heatings of the front surface. Sample calculations for porous silica with CO2 injection are presented for some typical parameters of mass injection rate, porosity, and material thickness. The effect of these parameters on the cooling system is discussed.

Kubota, H.↗

DOE OSTI2023

New technologies as decision aids for the advancement of ecological risk assessment

Moore's law states that the number of transistors that can be placed on an integrated circuit doubles every two years (Moore, 1975). This has led to a steady increase in the processing power of computers over time, and technology is now enhancing and advancing software and scientific applications, which has enabled computationally intensive methods such as machine learning, data science, modeling, and simulation. The advancement of computers and data-driven algorithms is profoundly impacting people's lives. It is changing the way we work, the way we learn, and the way we interact with the world around us. Here, this editorial will discuss how scientists can benefit from the latest technology advancements and related tools by incorporating them into the ecological risk assessment (ERA) to study ecosystems as a way to create refined assessments and accelerate the turnaround times.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Black-hole powered quantum coherent amplifier

Abstract Atoms falling into a black hole (BH) through a cavity are shown to enable coherent amplification of light quanta powered by the BH-gravitational vacuum energy. This process can harness the BH energy towards useful purposes, such as propelling a spaceship trapped by the BH. The process can occur via transient amplification of a signal field by falling atoms that are partly excited by Hawking radiation reflected by an orbiting mirror. In the steady-state regime of thermally equilibrated atoms that weakly couple to the field, this amplifier constitutes a BH-powered quantum heat engine. The envisaged effects substantiate the thermodynamic approach to BH acceleration radiation.

Physics↗

NASA NTRS1976

Deviation from a Maxwellian velocity distribution in regions of interstellar molecular hydrogen

The deviation from a Maxwellian velocity distribution caused by excitation of the J = 2 rotational level of parahydrogen (followed by radiative decay) in a molecular hydrogen gas is investigated. It is noted that inelastic collisions deplete the high-velocity tail of the distribution, while elastic collisions tend to refill it; the resulting steady-state distribution has a small depletion in the tail which slightly reduces the cooling rate of the gas. The elastic-collision transport is approximated by a continuous process, a simplified expression is obtained for the inelastic-collision operator, and the Boltzmann equation is then solved analytically. A correction to the inelastic-collision rate is evaluated, and it is found that the relative magnitude of the effect of tail depletion on the inelastic-collision rate is strongly temperature-dependent. The critical molecular density above which the J = 2 level deexcites by superelastic collisions is shown to be a weak function of temperature.

Gould, R. J.↗

NASA NTRS1977

Time delay occultation data of the Helios spacecrafts and preliminary analysis for probing the solar corona

S-band time delay measurements were collected from the spacecrafts Helios A and B during three solar occultations in 1975/76 within heliocentric distances of about 3 and 215 solar radii in terms of range, Doppler frequency shift, and electron content. A description is given concerning some characteristic features of the methods of measurement and data processing. Typical data sets are discussed to probe the electron density distribution near the sun (west and east limb as well) including the outer and extended corona. Steady-state and dynamical aspects of the solar corona are presented and compared with earth-bound K-coronagraph measurements. Using a weighted least squares estimation 3 parameters of an average coronal electron density profile are derived in a preliminary analysis to yield electron densities of about 130 billion; 100 million; 7 million/cu m at r?3; 65; 215 solar radii. Transient phenomena are discussed and a velocity of propagation v approximately 900 km/s for plasma ejecta from a solar flare is determined from an extraordinary set of Helios B electron content measurements on April 30/May 1, 1976.

Edenhofer, P.↗

NASA NTRS1993

Magnetic reconnection with large separatrix angles

The magnetic reconnection process is studied here using incompressible MHD simulations with different inflow boundary conditions and different magnetic Reynolds numbers R(m). The angle between the magnetic separatrices is in steady state reconnection depends mainly on the normal magnetic field on the inflow boundary. In steady state nonuniform reconnection with large separatrix angles, field-aligned plasma jets appear slightly downstream of the magnetic separatrices. The field-aligned plasma jet are stronger when R(m) is larger. Each field-aligned plasma jet consists of two parts: a slow shock and a fast-mode compressional wave. The slow shock converts the magnetic energy into plasma kinetic energy by acceleration and heating. The fast-mode compressional wave decelerates the plasma to a smaller outflow speed and heats it further. Nearly all the magnetic energy flowing into the diffusion region is converted into other forms. The length and width of the diffusion region depend on the values of the reconnection rate, R(m), and the normal magnetic field on the inflow boundary.

Yan, M.↗

NASA NTRS2003

Improved Crystal Quality by Detached Solidification in Microgravity

The goals of our work on detached solidification have been to: Develop a complete understanding of all of the phenomena of detached solidification; Make it possible to achieve detached solidification reproducibly; Increase crystallographic perfection through detached solidification. Specifically, we aimed in this project to: Identify a system and develop methods that would allow viewing of the melt surface and convection in the melt during detached solidification in microgravity; Improve understanding of the origination and evolution of detachment through experiments and theoretical treatments; Achieve detachment on earth. The project resulted in 14 publications, 15 presentations, completion of 2 Ph.D. theses, and completion of 2 M.S. theses. Two additional papers are currently being reviewed for publication. Copies of most of the papers are attached as appendices. Among the accomplishments are: Achievement of detached solidification of InSb on earth and determination of the conditions favoring detachment on earth. Development of a new method for coating the interior of silica growth ampoules with transparent boron nitride, which yields the high contact angles for semiconductor melts that favor detachment. Development of a new coating for the interior of Pyrex ampoules yielding very high contact angles for water and molten organic compounds. Development of a material-balance model for steady detached solidification that provides greatly improved insight into the process, both in microgravity and on earth. Dimensionless parameters were found that clarify the role of operating conditions and physical properties. The reason for the occurrence of two steady states was clarified, along with their relative stability. Observation of periodic gas tubes during directional solidification of water and organic compounds. Gas bubbles did not propagate around the periphery to yield full detachment. Failure to obtain detachment is attributed to the ready plastic deformation of these materials, so that the frozen material continues to adhere to the ampoule wall during cooling.

Regel, Liya L.↗

DOE OSTI2021

The U.S. Accident Tolerant Fuels Program — Update on a National Initiative

In 2012 the U.S. Congress directed the Department of Energy’s (DOE) Office of Nuclear Energy to give priority to developing enhanced fuels and cladding for light water reactors to improve safety in the event of accidents in the reactor or spent fuel pools. DOE developed a plan with a goal to insert a Lead Test Assembly (LTA) into a commercial light water reactor by the end of FY 2022. Three of the leading commercial nuclear fuel vendors, in concert with several participating commercial nuclear utilities, are now seriously engaged in this initiative and have exceeded initial expectations by having met DOE’s goal this year, three years ahead of schedule. The early successes of the ATF program are due in part to a strong collaboration by the DOE national laboratories with both commercial nuclear fuel vendors and the U.S. Nuclear Regulatory Commission. This undertaking has recently been expanded to incorporate an effort to extend burnup from the current U.S. regulatory limit of 62 GWD/MTU and increase enrichment as necessary to support routine utilization of fuel at >75 GWD/MTU. This effort provides a critical economic incentive to accelerate the deployment of ATF technologies. This paper reviews the DOE-sponsored, industry-led ATF concepts currently under development and highlights the contributions made by the DOE laboratories in support of these ATF concepts, including: 1) steady-state irradiation testing in the Advanced Test Reactor (ATR) and High Flux Isotope Reactor (HFIR); 2) transient irradiation testing in the Transient Reactor Test Facility (TREAT); 3) fabrication process development and characterization of high density fuels, Cr-coated Zry cladding, FeCrAl cladding, and SiC cladding; and 4) post-irradiation examination of lead test rods irradiated in commercial reactors.

Goldner, Frank J.↗

DOE OSTI2024

Radiation-induced transients on solid and molten Li and K iodides

The study, quantification, and monitoring of iodine in nuclear power generation systems have been paramount due to its environmental and health implications. Thorough speciation and transport studies strengthened the development and deployment of water reactors, which are now required for the new generation of Molten Salt Reactors (MSR), where the fuel and coolant are a complex liquid system of suitable halides. The speciation, radiation-induced chemistry, and transport of iodine (I-127, I-129 and I-131) under extreme conditions of temperature and ionizing radiation are among the challenges for the future implementation of MSR’s. In aqueous systems, the triiodide-iodine-iodide (I3--I2-I-) equilibrium is strongly dependent on the conditions of the medium. In molten iodides and chlorides, the triiodide detection (and its disproportionation) poses challenges due to the extreme conditions of temperature and radiation, but studies have shown a dependence on temperature, absorbed dose and salt composition. Through absorption spectroscopy techniques (diffuse reflectance and high-temperature UV-Vis), as well as resonance (Electron Paramagnetic Resonance) it is possible to identify primary transients induced by ionizing radiation trapped in the solid phase (Solid-state radiolysis), and steady-state main absorption components with a fast-acquisition real-time spectroscopy. The presence of heterogeneous phase (colloids), viscosity changes, and gas evolution are among the observed processes. A specific case of study is speciation in the presence of Ni. A corrosion product with magnetic properties due to unpaired electrons in its electronic structure. Ferromagnetic materials are monitored in solidified salts to identify aggregation and phase separation. Comparative studies of eutectic mixtures of LiI-KI and LiCl-KCl with known addition of dopants will be presented, with a perspective of radiation chemistry and its possible implications in complex systems.

36 - MATERIALS SCIENCE↗

NASA NTRS1975

Material Response of One-Dimensional, Steady-State Transpiration Cooling in Radiative and Convective Environments

A simplified analytical solution for thermal response of a transpiration-cooled porous heat-shield material in an intense radiative-convective heating environment is presented. Essential features of this approach are "two-flux method" for radiative transfer process and "two-temperature" assumption for solid and gas temperatures. Incident radiative-convective heatings are specified as boundary conditions. Sample results are shown using porous silica with CO2 transpiration and some parameters quantitatively show the effect on this transpiration cooling system. Summarized maps for mass injection rate, porosity and blowing correction factor for radiation are obtained in order to realize such a cooling system.

Kubota, Hirotoshi↗