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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Domestic Safeguards Material Control and Accountancy Considerations for Molten Salt Reactors

Molten salt reactors (MSRs) are a class of nuclear reactor designs with features and operational characteristics that vary significantly more than the class of light water reactors (LWRs). MSR design concepts can be broadly categorized as solid-fueled reactors with molten salt as the coolant, liquid-fueled reactors with fuel dissolved in molten salt coolant and liquid-fueled reactors with fuel dissolved in molten salt that is contained in distinct fuel tubes with a nonfissile coolant. Proposed MSR concepts include features that are specific to each design. MSR concepts vary widely across these design features, including the physical, chemical, and isotopic composition of fresh and irradiated fuel. Operational neutron energy spectrums and breeding ratios also vary significantly across design concepts. Some concepts are burner reactors designed to transmute the spent nuclear fuel from LWRs or pressurized heavy water reactors (PHWRs), while others are breeder reactors designed to breed fissile 233 U from naturally occurring fertile 232 Th. Some MSR concepts are designed to be a part of a once-through fuel cycle, while others involve chemical separation. Those that include plans to recycle the fuel differ by whether the chemical processing would be done onsite, as a process connected to the fuel salt itself, or offsite at a reprocessing facility similar to how LWR or PHWR spent fuel is reprocessed in some countries. Each overall design concept contains various aspects of each of these features to produce a unique facility

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Rigorous computation of short-range order unifies its controversial effects in complex concentrated alloys

Direct experimental observations of chemical short-range order (SRO) in complex concentrated alloys (CCAs) have triggered high interest. However, the reported effects of SRO on yield stresses are controversial, and their atomic-scale mechanisms are elusive, which limits our ability to utilize SRO in alloy design. Here we tackle this challenge using an advanced computational approach that rigorously takes into account the critical lattice distortion in CCAs and further verify our theoretical predictions with experiments. We show that the CoCrNi model alloy has a narrow temperature window around 670 °C for SRO formation. This explains why the mechanical effect of SRO is observed in some experiments but not in others. Here, we propose an effective alloy-doping method to control SRO and reveal atomic-bonding types that dominate SRO formation for different alloys. The strategies and insights generally apply to a broad spectrum of alloys, laying the foundation for designing advanced alloys by manipulating their SRO.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The first astrophysical detection, terahertz spectrum, and database for the monodeuterated species of methyl formate HCOOCH{sub 2}D

Based on new measurements carried out in the laboratory from 0.77 to 1.2 THz and on a line-frequency analysis of these new data, along with previously published data, we build a line list for HCOOCH{sub 2}D that leads to its first detection in the Orion KL nebula. The observed lines, both in space and in the laboratory, involve the cis D-in-plane and trans D-out-of-plane conformations of HCOOCH{sub 2}D and the two tunneling states arising from the large-amplitude motion connecting the two trans configurations. The model used in the line position calculation accounts for both cis and trans conformations, as well as the large-amplitude motion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Laboratory Constraints on the Neutron-Spin Coupling of feV-Scale Axions

Ultralight axionlike particles can contribute to the dark matter near the Sun, leading to a distinct, stochastic signature in terrestrial experiments. We search for such particles through their neutron-spin coupling by reanalyzing approximately 40 days of data from a K- 3 He comagnetometer with a new frequency-domain likelihood-based formalism that properly accounts for stochastic effects over all axion coherence times relative to the experimental time span. Assuming that axions make up all of the dark matter in the Sun’s vicinity, we find a median 95% upper limit on the neutron-spin coupling of 2.4 × 10 −10 GeV −1 for most axion masses from 0.4 to 4 feV, which is about 5 orders of magnitude more stringent than previous laboratory bounds in that mass range. Although several peaks in the experiment’s magnetic power spectrum suggest the rejection of a white-noise null hypothesis, further analysis of their line shapes yields no positive evidence for a dark-matter axion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Neutron Sources for Standard-Based Testing

The DHS TC Standards and the consensus ANSI Standards use 252 Cf as the neutron source for performance testing because its energy spectrum is similar to the 235 U and 239 Pu fission sources used in nuclear weapons. An emission rate of 20,000 ± 20% neutrons per second is used for testing of the radiological requirements both in the ANSI standards and the TCS. Determination of the accurate neutron emission rate of the test source is important for maintaining consistency and agreement between testing results obtained at different testing facilities. Several characteristics in the manufacture and the decay of the source need to be understood and accounted for in order to make an accurate measurement of the performance of the neutron detection instrument. Additionally, neutron response characteristics of the particular instrument need to be known and taken into account as well as neutron scattering in the testing environment.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

Planning for a Distributed Disruption: Innovative Practices for Incorporating Distributed Solar into Utility Planning

The rapid growth of distributed solar photovoltaics (DPV) has critical implications for U.S. utility planning processes. This report informs utility planning through a comparative analysis of roughly 30 recent utility integrated resource plans or other generation planning studies, transmission planning studies, and distribution system plans. It reveals a spectrum of approaches to incorporating DPV across nine key planning areas, and it identifies areas where even the best current practices might be enhanced. (1) Forecasting DPV deployment: Because it explicitly captures several predictive factors, customer-adoption modeling is the most comprehensive forecasting approach. It could be combined with other forecasting methods to generate a range of potential futures. (2) Ensuring robustness of decisions to uncertain DPV quantities: using a capacity-expansion model to develop least-cost plans for various scenarios accounts for changes in net load and the generation portfolio; an innovative variation of this approach combines multiple per-scenario plans with trigger events, which indicate when conditions have changed sufficiently from the expected to trigger modifications in resource-acquisition strategy. (3) Characterizing DPV as a resource option: Today's most comprehensive plans account for all of DPV's monetary costs and benefits. An enhanced approach would address non-monetary and societal impacts as well. (4) Incorporating the non-dispatchability of DPV into planning: Rather than having a distinct innovative practice, innovation in this area is represented by evolving methods for capturing this important aspect of DPV. (5) Accounting for DPV's location-specific factors: The innovative propensity-to-adopt method employs several factors to predict future DPV locations. Another emerging utility innovation is locating DPV strategically to enhance its benefits. (6) Estimating DPV's impact on transmission and distribution investments: Innovative practices are being implemented to evaluate system needs, hosting capacities, and system investments needed to accommodate DPV deployment. (7) Estimating avoided losses associated with DPV: A time-differentiated marginal loss rate provides the most comprehensive estimate of avoided losses due to DPV, but no studies appear to use it. (8) Considering changes in DPV's value with higher solar penetration: Innovative methods for addressing the value changes at high solar penetrations are lacking among the studies we evaluate. (9) Integrating DPV in planning across generation, transmission, and distribution: A few states and regions have started to develop more comprehensive processes that link planning forums, but there are still many issues to address.

14 SOLAR ENERGY↗
DOE OSTI2016

Planning for a Distributed Disruption: Innovative Practices for Incorporating Distributed Solar into Utility Planning

The rapid growth of distributed solar photovoltaics (DPV) has critical implications for U.S. utility planning processes. This report informs utility planning through a comparative analysis of roughly 30 recent utility integrated resource plans or other generation planning studies, transmission planning studies, and distribution system plans. It reveals a spectrum of approaches to incorporating DPV across nine key planning areas, and it identifies areas where even the best current practices might be enhanced. 1) Forecasting DPV deployment: Because it explicitly captures several predictive factors, customer-adoption modeling is the most comprehensive forecasting approach. It could be combined with other forecasting methods to generate a range of potential futures. 2) Ensuring robustness of decisions to uncertain DPV quantities: using a capacity-expansion model to develop least-cost plans for various scenarios accounts for changes in net load and the generation portfolio; an innovative variation of this approach combines multiple per-scenario plans with trigger events, which indicate when conditions have changed sufficiently from the expected to trigger modifications in resource-acquisition strategy. 3) Characterizing DPV as a resource option: Today’s most comprehensive plans account for all of DPV’s monetary costs and benefits. An enhanced approach would address non-monetary and societal impacts as well. 4) Incorporating the non-dispatchability of DPV into planning: Rather than having a distinct innovative practice, innovation in this area is represented by evolving methods for capturing this important aspect of DPV. 5) Accounting for DPV’s location-specific factors: The innovative propensity-to-adopt method employs several factors to predict future DPV locations. Another emerging utility innovation is locating DPV strategically to enhance its benefits. 6) Estimating DPV’s impact on transmission and distribution investments: Innovative practices are being implemented to evaluate system needs, hosting capacities, and system investments needed to accommodate DPV deployment. 7) Estimating avoided losses associated with DPV: A time-differentiated marginal loss rate provides the most comprehensive estimate of avoided losses due to DPV, but no studies appear to use it. 8) Considering changes in DPV’s value with higher solar penetration: Innovative methods for addressing the value changes at high solar penetrations are lacking among the studies we evaluate. 9) Integrating DPV in planning across generation, transmission, and distribution: A few states and regions have started to develop more comprehensive processes that link planning forums, but there are still many issues to address.

14 SOLAR ENERGY↗
NASA NTRS1981

A spectroscopic, photometric, and magnetic study of the starspot on II Pegasi

A description is presented of extensive observations of II Peg during 1977 and 1978, taking into account multicolor broad-band photometry, high-dispersion spectroscopy, low-dispersion spectrophotometry, and Zeeman analysis. During this time the star showed periodic light variations in excess of a 0.4 mag range attributable to the presence of a large starspot or an equivalent nonuniform surface brightness distribution. The high-precision multicolor photometry, which differed greatly from previous photometric results, illustrates that the starspots on II Peg are continually evolving on time scales of approximately 1 year or less. A low-dispersion spectrum of the large spot showed pronounced VO and TiO molecular adsorption features. A high-resolution, high signal-to-noise Reticon spectrum at lambda 6707 does not show any compelling evidence of previously reported lithium in this star.

Vogt, S. S.↗
NASA NTRS1992

Far-ultraviolet observations of the supernova remnant N49 using the Hopkins Ultraviolet Telescope

The Hopkins Ultraviolet Telescope has been used to obtain the first sub-Lyman-alpha spectrum of an extragalactic SNR, N49, in the LMC. Emission from O VI 1032, 1038 has been detected in this spectral region. The measured fluxes of C IV, semiforbidden O IV, and O VI and the upper limit on N V provide stringent limits on the shocks responsible for the bulk of the O VI production. O VI cannot originate in the shocks with velocities of 140 km/s or less because the postshock temperature is not high enough. The nonradiative main blast wave cannot account for the brightness of the observed O VI emission. The majority of the O VI must originate in an optically faint system of shocks with velocities of 190-270 km/s and preshock densities of 20-40 cu cm. The emission from such high-velocity shocks is dominated by O VI.

Vancura, Olaf↗
DOE OSTI2014

Magnons and a two-component spin gap in FeV2O4

The spinel vanadates have become a model family for exploring orbital order on the frustrated pyrochlore lattice, and recent debate has focused on the symmetry of local crystal fields at the cation sites. Here, we present neutron scattering measurements of the magnetic excitation spectrum in FeV2O4, a recent example of a ferrimagnetic spinel vanadate which is available in single-crystal form.We report the existence of two emergent magnon modes at low temperatures, which draw strong parallels with the closely related material, MnV2O4. We were able to reproduce the essential elements of both the magnetic ordering pattern and the dispersion of the inelastic modes with semiclassical spin-wave calculations, using a minimal model that implies a sizable single-ion anisotropy on the vanadium sublattice. Taking into account the direction of ordered spins, we associate this anisotropy with the large trigonal distortion of VO6 octahedra, previously observed via neutron powder diffractionmeasurements. We further report on the spin gap, which is an order of magnitude larger than that observed in MnV2O4. By looking at the overall temperature dependence, we were able to show that the gap magnitude is largely associated with the ferro-orbital order known to exist on the iron sublattice, but the contribution to the gap from the vanadium sublattice is in fact comparable to what is reported in the Mn compound. This reinforces the conclusion that the spin canting transition is associated with the ordering of vanadium orbitals in this system, and closer analysis indicates closely related physics underlying orbital transitions in FeV2O4 and MnV2O4.

MacDougall, Prof. Gregory J.↗
DOE OSTI2024

SCEC/USGS Community Stress-Drop Validation Study: How Spectral Fitting Approaches Influence Measured Source Parameters

Spectral source parameters used to estimate an earthquake’s stress drop (⁠Δσ⁠) can vary significantly across measurement approaches. The Statewide California Earthquake Center/U.S. Geological Survey Community Stress‐Drop Validation Study was initiated to compare source parameter estimates, focusing initially on a dataset from the 2019 Ridgecrest earthquake sequence. As part of that validation effort, here we focus on one potential source of uncertainty: whether spectral fitting approaches alone, applied to a common set of spectra from the 2019 Ridgecrest sequence result in different source parameter estimates. By using a common set of benchmark spectra analyzed across a consistent frequency band of 1–40 Hz, we eliminate many sources of variability. A subgroup of validation study participants volunteered to estimate the low‐frequency displacement (⁠Ω 0 ⁠) and corner frequency (⁠ƒ c ⁠) by fitting a smooth function to benchmark displacement spectra. Participants used linear‐ or log‐sampled spectra, assumed a Brune or Boatwright spectral model, and applied different misfit criteria. We compare 17 approaches used to estimate ⁠Ω 0 ⁠, ƒ c ⁠, and Δσ for 54 earthquake spectra. Our results reveal that 35% of events have Δσ estimates within a factor of two, whereas others exhibit variations exceeding an order of magnitude. The variability in and can largely be attributed to whether a spectrum is consistent with the smooth function of an idealized simple crack model. The trade‐off between Ω 0 and ƒ c may be more pronounced when using linearly sampled spectra, as higher frequency spectral bumps control the fits. As expected, methods that assumed a Boatwright model tended to have lower Ω 0 and somewhat higher ƒ c compared to those assuming a Brune model, although resulting Δσ estimates are similar. Finally, when compared to the overall validation study results, the fitting approach alone may account for between 5% and 90% (25% on average) of the total variability in spectral Δσ⁠.

58 GEOSCIENCES↗
NASA NTRS1989

Uranus deep atmosphere revealed

The present examination of the radio spectrum and latitudinal radio brightness temperature variation of Uranus leads to a ejection of thermochemical equilibrium models and the adoption of an atmospheric model characterized by a low ammonia volume-mixing ratio that is uniformly distributed over a wide altitude range. The elemental ratios derivable from this model support the planetary accretion theory of Pollack and Bodenheimer (1989). It is noted that while the equatorial and midlatitude values of Uranian radio brightness temperature are explainable by condensation theories, the polar value can only be accounted for through the invocation of strong, dry air downdrafts.

De Pater, Imke↗
NASA NTRS1995

Surface temperature of a magnetized neutron star and interpretation of the ROSAT data. 1: Dipole fields

We model the temperature distribution at the surface of a magnetized neutron star and study the effects on the observed X-ray spectra and light curves. Generalrelativistic effects, i.e., redshift and lensing, are fully taken into account. Atmospheric effects on the emitted spectral flux are not included: we consider only blackbody emission at the local effective temperature. In this first paper we restrict ourselves to dipole fields. General features are studied and compared with the ROSAT data from the pulsars 0833 - 45 (Vela), 0656 + 14, 0630 + 178 (Geminga), and 1055 - 52, the four cases for which there is strong evidence that thermal radiation from the stellar surface is detected. The composite spectra we obtain are not very different from a blackbody spectrum at the star's effective temperature. We conclude that, as far as blackbody spectra are considered, temperature estimates using single-temperature models give results practically identical to our composite models. The change of the (composite blackbody) spectrum with the star's rotational phase is also not very large and may be unobservable inmost cases. Gravitational lensing strongly suppresses the light curve pulsations. If a dipole field is assumed, pulsed fractions comparable to the observed ones can be obtained only with stellar radii larger than those which are predicted by current models of neutron star struture, or with low stellar masses. Moreover, the shapes of the theoretical light curves with dipole fields do not correspond to the observations. The use of magnetic spectra may raise the pulsed fraction sufficiently but will certainly make the discrepancy with the light curve shapes worse: dipole fields are not sufficient to interpret the data. Many neutron star models with a meson condensate or hypersons predict very small radii, and hence very strong lensing, which will require highly nondipolar fields to be able to reproduce the observed pulsed fractions, if possible at all: this may be a new tool to constrain the size of neutron stars. The pulsed fractions obtained in all our models increase with photon energy: the strong decrease observed in Geminga at energies 0.3-0.5 keV is definitely a genuine effect of the magnetic field on the spectrum in contradistinction to the magnetic effects on the surface temperature considered her. Thus, a detailed analysis of thermal emission from the four pulsars we consider will require both complex surface field configurations and the inclusion of magnetic effects in the atmosphere (i.e., on the emitted spectrum).

Page, Dany↗
NASA NTRS2001

Evolution of Iron K Alpha Line Emission in the Black Hole Candidate GX 339-4

GX 339-4 was regularly monitored with the Rossi X-Ray Timing Explorer during a period (in 1999) when its X-ray flux decreased significantly (from 4.26 x 10(exp -10) to 7.6 x 10(exp -12) ergs in the 3-20 keV band), as the source settled into the 'off state.' Our spectral analysis revealed the presence of a prominent iron K alpha line in the observed spectrum of the source for all observations. The line shows an interesting evolution: it is centered at approx. 6.4 keV when the measured flux is above 5 x 10(exp -1) ergs per sq cm/s but is shifted to approx. 6.7 keV at lower fluxes. The equivalent width of the line appears to increase significantly toward lower fluxes, although it is likely to be sensitive to calibration uncertainties. While the fluorescent emission of neutral or mildly ionized iron atoms in the accretion disk can perhaps account for the 6.4 keV line, as is often invoked for black hole candidates, it seems difficult to understand the 6.7 keV line with this mechanism because the disk should be less ionized at lower fluxes (unless its density changes drastically). On the other hand, the 6.7 keV line might be due to a recombination cascade of hydrogen- or helium-like iron ions in an optically thin, highly ionized plasma. We discuss the results in the context of proposed accretion models.

Feng, Y. X.↗
DOE OSTI2017

Optical Asymmetry and Nonlinear Light Scattering from Colloidal Gold Nanorods

A systematic study is presented of the intensity-dependent nonlinear light scattering spectra of gold nanorods under resonant excitation of the longitudinal surface plasmon resonance (SPR). The spectra exhibit features due to coherent second and third harmonic generation as well as a broadband feature that has been previously attributed to multiphoton photoluminescence arising primarily from interband optical transitions in the gold. A detailed study of the spectral dependence of the scaling of the scattered light with excitation intensity shows unexpected scaling behavior of the coherent signals, which is quantitatively accounted for by optically induced damping of the SPR mode through a Fermi liquid model of the electronic scattering. The broadband feature is shown to arise not from luminescence, but from scattering of the secondorder longitudinal SPR mode with the electron gas, where efficient excitation of the 2nd order mode arises from an optical asymmetry of the nanorod. The electronic-temperature-dependent plasmon damping and the Fermi-Dirac distribution together determine the intensity dependence of the broadband emission, and the structure-dependent absorption spectrum determines the spectral shape through the fluctuation-dissipation theorem. Hence a complete self-consistent picture of both coherent and incoherent light scattering is obtained with a single set of physical parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Bounce inflation cosmology with Standard Model Higgs boson

It is of great interest to connect cosmology in the early universe to the Standard Model of particle physics. In this paper, we try to construct a bounce inflation model with the standard model Higgs boson, where the one loop correction is taken into account in the effective potential of Higgs field. In this model, a Galileon term has been introduced to eliminate the ghost mode when bounce happens. Moreover, due to the fact that the Fermion loop correction can make part of the Higgs potential negative, one naturally obtains a large equation of state(EoS) parameter in the contracting phase, which can eliminate the anisotropy problem. After the bounce, the model can drive the universe into the standard higgs inflation phase, which can generate nearly scale-invariant power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1981

On the measurement of precipitation frequencies by passive microwave radiometery

Over most of the microwave spectrum, raindrops both absorb and scatter radiation producing large changes in brightness temperatures relative to clear or cloudy conditions. Since the structure of rain varies substantially for different rain rates and climatological backgrounds, the raindrop size distribution, the rain layer thickness and the ice clouds above the rain layer are all important inputs to the model computations. The subsequent modeling involves applying the Mie theory to derive the absorption and scattering effects and the radiative transfer calculation is based upon a variational iterative approach which takes account of the multiple scattering effect of the rain layer. Results over both ocean and land backgrounds are demonstrated. It is also demonstrated that by using discrimination tests of the radiometric data, the rain/no rain decision can be made and the rainfall rate can be retrieved from a statistical inversion technique.

Kidder, S. Q.↗
DOE OSTI2018

Time Domain Simulations of Single Molecule Raman Scattering

Non-equilibrium chemical phenomena are known to play an important role in single molecule microscopy and spectroscopy. Herein, we explore these effects through ab initio molecular dynamics (AIMD)-based Raman spectral simulations. We target an isolated aromatic thiol (thiobenzonitrile, TBN) as a prototypical molecular system. We first show that the essential features contained in the ensemble-averaged Raman spectrum of TBN can be reproduced by averaging over 18 short AIMD trajectories spanning a total simulation time of ~60 ps. This involved more than 90,000 polarizability calculations at the B3LYP/def2-TZVP level of theory. We then illustrate that the short trajectories (~3.3 ps total simulation time), where the accessible phase space is not fully sampled, provide a basis set for understanding key features that are often observed in measurements targeting single molecules. Our results suggest that a complete understanding of single molecule Raman scattering needs to account for molecular conformational flexibility and non-equilibrium chemical phenomena. These effects are well-captured using the described AIMD-based single molecule Raman spectral simulations.

Apra, Edoardo↗