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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Biological processes and optical measurements near the sea surface: Some issues relevant to remote sensing

The advent of remote sensing, the develpmemt of new optical instrumentation, and the associated advances in hydrological optics have transformed oceanography; it is now feasible to describe ocean-scale biogeochemical dynamcis from satellite observations, verified and complemented by measurements from optical sensors on profilers, moorings, and drifters. Only near-surface observations are common to both remote sensing and in situ observation, so it is critical to understand processes in the upper euphotic zone. Unfortunately, the biological principles that must be used to interpret optical variability near the sea surface are weaker than we would like, because relatively few experiments and analyses have examined bio-optical relationships under high irradiance characteristic of the upper optical depth. Special consideration of this stratum is justified, because there is good evidence that bio-optical relationships are altered near the surface; (1) the fluorescence yield from chlorophyll declines, leading to bias in the estimation of pigment from fluorometry; (2) the modeled relationship between solar-stimulated fluorecence and photosynthesis seems to deviate significantly from that presented for the lower euphotic zone; and (3) carbon-specific and cellular attenuation cross sections of phytoplankton change substantially during exposures to bright light. Even the measurement of primary productivity is problematic near the sea surface, because vertical mixing is not simulated and artifactual inhibition of photosynthesis can result. These problems can be addressed by focusing more sampling effort, experimental simulation, and analytical consideration on the upper optical depth, and by shortening timescales for the measurement of marine photosynthesis. Special efforts to study near-surface processes are justified, because new bio-optical algorithms will require quantitaitve descriptions of the responses of phytoplankton to bright light.

Cullen, John J.↗
DOE OSTI2025

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2022

On the control of electron heating for optimal laser radiation pressure ion acceleration

We study the onset of electron heating in intense laser–solid interactions and its impact on the spectral quality of radiation pressure accelerated ions in both hole boring and light sail regimes. Two- and three-dimensional particle-in-cell (PIC) simulations are performed over a wide range of laser and target parameters and reveal how the pulse duration, profile, polarization and target surface stability control the electron heating, the dominant ion acceleration mechanisms and the ion spectra. We find that the onset of strong electron heating is associated with the growth of the Rayleigh–Taylor-like instability at the front surface and must be controlled to produce high-quality ion beams, even when circularly polarized lasers are employed. We define a threshold condition for the maximum duration of the laser pulse that allows mitigation of electron heating and radiation pressure acceleration of narrow energy spread ion beams. The model is validated by three-dimensional PIC simulations, and the few experimental studies that reported low energy spread radiation pressure accelerated ion beams appear to meet the derived criteria. The understanding provided by our work will be important in guiding future experimental developments, for example for the ultrashort laser pulses becoming available at state-of-the-art laser facilities, for which we predict that proton beams with $\sim$ 150–250 MeV, $\sim$ 30% energy spread, and a total laser-to-proton conversion efficiency of $\sim$ 20% can be produced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Linear and Nonlinear X-ray Spectra of Chiral Molecules: X-ray Circular Dichroism, Sum- and Difference-Frequency Generation of Fenchone and Cysteine

Recent advancements in X-ray light sources enable element-sensitive nonlinear spectroscopies for probing molecular chirality. We simulate X-ray absorption spectroscopy, X-ray circular dichroism (XCD), and nonlinear optical/X-ray SFG and DFG (OX SFG/DFG) signals for two prototypical chiral molecules, fenchone and cysteine. Furthermore, our multireference simulations reproduce experimental data and reveal how novel X-ray spectroscopies exploit the site- and element-sensitivity of X-rays to uncover molecular asymmetry. The XCD spectra show strong asymmetries at chiral centers, while distant atoms contribute weaker signals. The OX SFG/DFG signals, under fixed resonant optical excitation, strongly depend on the core and valence excitations. This allows us to introduce two-dimensional (2D) chirality-sensitive valence-core spectroscopy, which provides insight into the overlap between valence orbitals and local molecular asymmetry. Finally, our estimates using realistic laser and X-ray pulse parameters demonstrate that such nonlinear experiments are feasible at XFELs, offering a promising tool for investigating chiral molecules.

Circular dichroism spectroscopy↗
DOE OSTI2016

Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

Layered halide hybrid organic–inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. Here, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D 4h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin–orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.

14 SOLAR ENERGY↗
DOE OSTI2018

Nutrient transport suggests an evolutionary basis for charged archaeal surface layer proteins

Surface layers (S-layers) are two-dimensional, proteinaceous, porous lattices that form the outermost cell envelope component of virtually all archaea and many bacteria. Despite exceptional sequence diversity, S-layer proteins (SLPs) share important characteristics such as their ability to form crystalline sheets punctuated with nano-scale pores, and their propensity for charged amino acids, leading to acidic or basic isoelectric points. However, the precise function of S-layers, or the role of charged SLPs and how they relate to cellular metabolism is unknown. Nano-scale lattices affect the diffusion behavior of low-concentration solutes, even if they are significantly smaller than the pore size. Here, we offer a rationale for charged S-layer proteins in the context of the structural evolution of S-layers. Using the ammonia-oxidizing archaea (AOA) as a model for S-layer geometry, and a 2D electrodiffusion reaction computational framework to simulate diffusion and consumption of the charged solute ammonium (NH 4 + ), we find that the characteristic length scales of nanoporous S-layers elevate the concentration of NH 4 + in the pseudo-periplasmic space. Our simulations suggest an evolutionary, mechanistic basis for S-layer charge and shed light on the unique ability of some AOA to oxidize ammonia in environments with nanomolar NH 4 + availability, with broad implications for comparisons of ecologically distinct populations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Floquet engineering of strongly driven excitons in monolayer tungsten disulfide

Interactions of quantum materials with strong-laser fields can induce exotic nonequilibrium electronic states. Monolayer transition-metal dichalcogenides, a new class of direct-gap semiconductors with prominent quantum confinement, offer exceptional opportunities toward Floquet engineering of quasiparticle electron-hole states, or excitons. Strong-field driving has a potential to achieve enhanced control of electronic band structure, thus a possibility to open a new realm of exciton light-matter interactions. However, experimental implementation of strongly-driven excitons has so far remained out of reach. Here, we use mid-infrared laser pulses below the optical bandgap to excite monolayer tungsten disulfide up to a field strength of 0.3 V/nm, and demonstrate strong-field light dressing of excitons in the excess of a hundred millielectronvolt. Our high-sensitivity transient absorption spectroscopy further reveals formation of a virtual absorption feature below the 1s-exciton resonance, which is assigned to a light-dressed sideband from the dark 2p-exciton state. Quantum-mechanical simulations substantiate the experimental results and enable us to retrieve real-space movies of the exciton dynamics. Here, this study advances our understanding of the exciton dynamics in the strong-field regime, and showcases the possibility of harnessing ultrafast, strong-field phenomena in device applications of two-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Influence of chemical ordering on the thermal conductivity and electronic relaxation in FePt thin films in heat assisted magnetic recording applications

Here, we report on the out-of-plane thermal conductivities of tetragonal L1 0 FePt (001) easy-axis and cubic A1 FePt thin films via time-domain thermoreflectance over a temperature range from 133 K to 500 K. The out-of-plane thermal conductivity of the chemically ordered L10 phase with alternating Fe and Pt layers is ~23% greater than the thermal conductivity of the disordered A1 phase at room temperature and below. However, as temperature is increased above room temperature, the thermal conductivities of the two phases begin to converge. Molecular dynamics simulations on model FePt structures support our experimental findings and help shed more light into the relative vibrational thermal transport properties of the L1 0 and A1 phases. Furthermore, unlike the varying temperature trends in the thermal conductivities of the two phases, the electronic scattering rates in the out-of-plane direction of the two phases are similar for the temperature range studied in this work.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Simulating highly eccentric common envelope jet supernova impostors

We conduct three-dimensional hydrodynamical simulations of eccentric common envelope jet supernova (CEJSN) impostors, i.e. a neutron star that crosses through the envelope of a red supergiant star on a highly eccentric orbit and launches jets as it accretes mass from the envelope. Because of numerical limitations, we apply a simple prescription where we inject the assumed jets’ power into two opposite conical regions inside the envelope. We find the outflow morphology to be very complicated, clumpy, and non-spherical, having a large-scale symmetry only about the equatorial plane. The outflow morphology can substantially differ between simulations that differ by their jets’ power. We estimate by simple means the light curve to be very bumpy, to have a rise time of one to a few months, and to slowly decay in about a year to several years. These eccentric CEJSN impostors will be classified as ‘gap’ objects, i.e. having a luminosity between those of classical novae and typical supernovae (termed also ILOTs for intermediate luminosity optical transients). We strengthen a previous conclusion that CEJSN impostors might account for some peculiar ILOTs, in particular those that might repeat over time-scales of months to years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Intergalactic magnetic field studies by means of γ -ray emission from GRB 190114C

The presence of delayed GeV emission after a strong transient, such as a gamma-ray burst (GRB), in the very-high energy (VHE) E > 100 GeV band can be the signature of a nonzero magnetic field in the intergalactic medium. Here we used a synchrotron self-Compton multiwavelength model to infer an analytical description of the intrinsic VHE spectrum (corrected for absorption by the extragalactic background light) of GRB 190114C to predict the light curves and spectral energy distributions of the delayed emission with Monte Carlo simulations for different intergalactic magnetic field (IGMF) configurations (strengths B = 8 × 10 -21 G, 10 -20 G, 3 × 10 -20 G and correlation length $\lambda$ > 1 Mpc), and compared them with the Fermi Large Area Telescope (Fermi LAT) limits computed for several exposure times. We found that the Fermi LAT is not sensitive enough to constrain any IGMF strengths using GRB 190114C.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Spacetime dynamics of a Higgs vacuum instability during inflation

A remarkable prediction of the Standard Model is that, in the absence of corrections lifting the energy density, the Higgs potential becomes negative at large field values. If the Higgs field samples this part of the potential during inflation, the negative energy density may locally destabilize the spacetime. Here, we use numerical simulations of the Einstein equations to study the evolution of inflation-induced Higgs fluctuations as they grow towards the true (negative-energy) minimum. Our simulations show that forming a single patch of true vacuum in our past light cone during inflation is incompatible with the existence of our Universe; the boundary of the true vacuum region grows outward in a causally disconnected manner from the crunching interior, which forms a black hole. We also find that these black hole horizons may be arbitrarily elongated—even forming black strings—in violation of the hoop conjecture. Furthermore, by extending the numerical solution of the Fokker-Planck equation to the exponentially suppressed tails of the field distribution at large field values, we derive a rigorous correlation between a future measurement of the tensor-to-scalar ratio and the scale at which the Higgs potential must receive stabilizing corrections in order for the Universe to have survived inflation until today.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

High-resolution in-situ characterization of laser powder bed fusion via transmission X-ray microscopy at X-ray free electron lasers

In this work, we describe the instrumentation used to perform the first operando transmission X-ray microscopy (TXM) and simultaneous X-ray diffraction of laser melting simulating laser powder bed fusion on the XCS instrument at the Linac Coherent Light Source (LCLS) X-ray free-electron laser (XFEL). Our TXM with 40× magnification in the X-ray regime at 11 keV gave spatial resolutions down to 940 nm per line pair, with effective pixel sizes down to 206 nm, image integration times of <100 fs, and frame rates tunable between 2.1 and 119 ns for two probe frames (0.48 GHz to 8.4 MHz). Images were recorded on Zyla and Icarus (UXI) detectors to trade off between spatial resolution and time dynamics. A 1 kW CW IR laser was coupled into the interaction point to conduct pump–probe studies of laser melting and solidification dynamics. Our temporal and spatial resolution with attenuation-based contrast exceeds that currently possible with synchrotron-based high-speed radiography. This system was sensitive to feature velocities of 10–12000 m s −1 but we did not observe any motion in this range in the laser melting of Al6061 alloy. Shockwaves were not observed and hot cracking proceeded at velocities below the detection limits. Pore accumulation was observed between successive shots, indicating that bubble escape mechanisms were not active. With proper experimental design, the spatial resolution, contrast and field of view could be further improved or modified. The increased brightness and narrower bandwidth of the XFEL allowed for this imaging technique and it lays the groundwork for a wide range of operando techniques to study additive manufacturing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Newton-Raphson AC Power Flow Convergence Based on Deep Learning Initialization and Homotopy Continuation

Power flow forms the basis of many power system studies. With the increased penetration of renewable energy, grid planners tend to perform multiple power flow simulations under various operating conditions and not just selected snapshots at peak or light load conditions. Getting a converged AC power flow (ACPF) case remains a significant challenge for grid planners especially in large power grid networks. This paper proposes a two-stage approach to improve Newton-Raphson ACPF convergence and was applied to a 6102 bus Electric Reliability Council of Texas (ERCOT) system. The first stage utilizes a deep learning-based initializer with data re-training. Here a deep neural network (DNN) initializer is developed to provide better initial voltage magnitude and angle guesses to aid in power flow convergence. This is because Newton-Raphson ACPF is quite sensitive to the initial conditions and bad initialization could lead to divergence. The DNN initializer includes a data re-training framework that improves the initializer's performance when faced with limited training data. The DNN initializer successfully solved 3,285 cases out of 3,899 non-converging dispatch and performed better than random forest and DC power flow initialization methods. ACPF cases not solved in this first stage are then passed through a hot-starting algorithm based on homotopy continuation with switched shunt control. The hot-starting algorithm successfully converged 416 cases out of the remaining 614 non-converging ACPF dispatch. In conclusion, the combined two-stage approach achieved a 94.9% success rate, by converging a total of 3,701 cases out of the initial 3,899 unsolved cases.

Deep learning↗
DOE OSTI2016

Capture-gated Spectroscopic Measurements of Monoenergetic Neutrons with a Composite Scintillation Detector

Abstract—We report on the measurements of Monoenergetic neutrons from DD and DT fusion reactions by use of the capture gating method in a heterogeneous plastic-glass composite scintillation detector. The cylindrical detector is 5.08 cm in diameter and 5.05 cm in height and was fabricated using 1-mm diameter Li-doped glass rods(GS20) and scintillating polyvinyl toluene (EJ-290). Different scintillation decay constants are used to identify energy depositions in two materials constituting the composite scintillator. Geant4 simulations of the neutron thermalization and capture process were conducted, finding a mean capture time of approximately 2.6 ms for both DD and DT neutrons. A capture gating time acceptance window based on simulation results was used to identify the neutron thermalization pulses. The total scintillation light yield produced in neutron thermalization was measured and found to show consistency on event-by-event basis despite the variety of neutron thermalization histories prior to capture. The ratio of light yields from thermalization of 14.1 MeV and 2.45 MeV neutrons in the EJ-290 scintillator was determined to be 14.6, and the light output from 2.45 MeV neutrons was also correlated to its electron equivalent, obtaining a value of 0.58*0.05 MeVee.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

A Study of Cost-Saving Potential of Load Flexibility Measures in Grid-Interactive Multifamily Buildings

With recent advances in smart technologies, more and more smart devices are penetrating the residential and commercial buildings market. The introduction of these smart devices is also helping IoT companies emerge with load aggregator roles in the sector. With more utility companies on the track of supporting OpenADR protocols, the aggregators could play a significant role in providing load flexibilities by automatically responding to demand response (DR) events and coordinating load flexibility measures between customers. This would benefit utility companies by reducing stress on the grid during critical peak demand hours as well as customers by allowing them to utilize utility rate structures advantageous to those able to reduce electric usage during high-demand hours. This study evaluates cost and energy savings from adopting multiple load flexibility measures in multifamily buildings. Combinations of different load flexibility measures, including space temperature floating, light dimming, automatic window shading, and water heater temperature floating, are considered. The simulations are performed using OpenStudio®, an open-source U.S. Department of Energy (DOE) simulation platform. For the case study, we used a midrise apartment building with weather conditions from Denver, Colorado. To compare climate zone differences, simulations were also performed for Los Angeles, California, and Chicago, Illinois. Initial results indicate that the application of automated load flexibility measures without careful consideration of dispatching strategies and DR program enrollments could significantly affect the savings. To get meaningful cost savings, aggregators need to encourage tenant awareness to curtail energy usage through occupant behavior in addition to dispatching automatic load flexibility measures. The outcomes from this study are believed to help load aggregators understand the risks and benefits of load flexibility opportunities.

building energy modeling↗
DOE OSTI2022

Overview of recent SCALE activities for Non-LWR inventory and decay heat analysis

In 2019, the US Nuclear Regulatory Commission initiated a project for the development and assessments of non-light-water reactor (non-LWR) accident progression using the SCALE and MELCOR simulation tools. SCALE simulations are used to generate nuclide inventories, full-core power distributions, decay heat, and kinetics parameters to initialize MELCOR simulations of severe accident scenarios. Five non-LWR concepts were studied: high-temperature gas-cooled reactor (HTGR), heat pipe reactor (HPR), high-temperature fluoride salt-cooled reactor (FHR), molten salt-fueled reactor (MSR), and sodium-cooled fast reactor (SFR). This paper summarizes the SCALE results obtained in 2021 for the first three non-LWR concepts, compares characteristics and results to common LWRs, and provides the strategy for the analysis of the remaining two non-LWRs. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Designing graphene absorption in a multispectral plasmon-enhanced infrared detector

Here, we have examined graphene absorption in a range of graphene-based infrared devices that combine either monolayer or bilayer graphene with three different gate dielectrics. Electromagnetic simulations show that the optical absorption in graphene in these devices, an important factor in a functional graphene-based detector, is strongly dielectric-dependent. Our simulations reveal that plasmonic excitation in graphene can significantly influence the percentage of light absorbed in the entire device, as well as the graphene layer itself, with graphene absorption exceeding 25% in regions where plasmonic excitation occurs. Notably, the dielectric environment of graphene has a dramatic influence on the strength and wavelength range over which the plasmons can be excited, making dielectric choice paramount to final detector tunability and sensitivity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Depletion, Chemical Reaction and Transport in High Burnup Nuclear Fuel

We have developed a formulation and computational model for oxygen transport in Light Water Reactor (LWR) uranium dioxide fuel. The overall model couples the burnup simulation isotopic composition with a thermochemistry model of the fuel phase, and oxygen transport using the driving forces from the thermodynamic calculations. The diffused oxygen is accounted for in the thermochemistry model in order to establish consistent material and thermodynamic conditions in the fuel undergoing burnup. The model has been implemented in the nuclear fuel performance code Bison. The formulation and the model have been successfully demonstrated on fuel burnup data from the open literature. The developed capability enables consideration of complex chemical composition of irradiated fuels beyond available burnup models in Bison.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗