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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Density Measurements of Molten LiF–BeF 2 and LiF–BeF 2 –LaF 3 Salt Mixtures by Neutron Radiography

The densities of eutectic (LiF) 2 –BeF 2 and mixtures of this salt (FLiBe) with LaF 3 were measured by dilatometry and by neutron attenuation from 673 K to 1,073 K. Because LaF 3 has a limited solubility in FLiBe, it was necessary to determine the amount of LaF 3 in solution before the density could be determined. The FLiBe density determination was favorably benchmarked against the literature data. A simple comparison was not available for the LaF 3 –FLiBe mixtures, so extrapolation of published data was necessary based on analysis using the Molten Salt Thermal Properties Database-Thermochemistry, or MSTDB-TC, developed by the US Department of Energy. Solubilities for LaF 3 in FLiBe ranged from 1 to 4 mol % over 673 to 1,073 K. The salt system was heated and cooled over 24 h to evaluate potential changes in composition and hysteresis during the measurement. Changes in the meniscus were observed, and these were included in the correction for density determinations. Salt surface tension may have led to supersaturation of LaF 3 in the salt because the solubility curve was nonlinear with respect to the inverse temperature, as would be expected for an ideal system. Surface tension measurements are currently underway to test this hypothesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Thermodynamic evaluation and modeling of the CeF 3 -LaF 3 -LiF-NaF system

The thermodynamic properties of the LiF-NaF-CeF 3 -LaF 3 pseudo-quaternary system have been evaluated, and models for the relevant phases have been revised or newly developed. The solid solubility of NaF in LaF 3 and CeF 3 was described in the model based on reported phase-equilibria observations and results from density functional theory calculations. The Gibbs energy functions for the NaCeF 4 and NaLaF 4 phases have been updated with recently reported thermochemical measurements. The Gibbs energy functions and model relations for the LiF-NaF-LaF 3 and LiF-NaF-CeF 3 pseudo-ternary systems were successfully optimized based on thermochemical properties and phase equilibria observations.

CALPHAD↗
DOE OSTI2026

LAF-Net: A Deep Residual and Cross-Attention Framework for Day-Ahead Load Forecasting: Preprint

Accurate day-ahead load forecasting is essential for reliable power system operations and market efficiency. System operators such as the Midcontinent Independent System Operator (MISO) rely on forecasts from multiple vendors, yet combining them effectively remains a persistent challenge due to vendor-specific biases. This paper presents a novel LSTM-Attention Fusion Network with Error Representation (LAF-Net) that enhances day-ahead hourly load forecasting through deep residual learning and multi-modal cross-attention. The proposed model builds a historical error memory from past vendor performance and dynamically queries it with future hour context to generate adaptive, hour-specific trust weights for each vendor. A bounded residual correction further refines forecasts by mitigating systematic and temporally localized errors. Tested on real MISO LBA data with multi-vendor forecasts, LAF-Net consistently outperforms the best vendor baseline across all 38 LBAs, achieving more than a 40% reduction in system-level mean absolute error (MAE) during peak load hours relative to the best vendor baseline.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Materials Data on LaF by Materials Project

LaF is Wurtzite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to five equivalent F atoms to form a mixture of edge and corner-sharing LaF5 trigonal bipyramids. There are three shorter (2.50 Å) and two longer (2.78 Å) La–F bond lengths. F is bonded to five equivalent La atoms to form a mixture of edge and corner-sharing FLa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tuning superconductivity of Bi 2 Sr 2 CaCu 2 O 8+x by fluoride ion intercalation with LaF 3 gate dielectric

Here, we demonstrate fluorine intercalation into Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO) flakes, as thick as 100 nm, by back-gating a single crystalline LaF 3 substrate. Element-sensitive analysis not only confirms the presence of fluorine in BSCCO after gating but also reveals lateral diffusion of fluorine in BSCCO. Transport measurements further demonstrate the hole-doping effect of fluoride ions in BSCCO through effective modulation of the superconducting transitions. Our work introduces a distinct type of ions (F - ) that can be intercalated into materials via solid state back-gating. It broadens the toolbox of ion back-gating and is useful for addressing exotic phenomena in the heavily hole doped regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2006

Mineralogy of nakhlite Martian meteorites: Implications for their relative burial depths

Nakhlites are Martian cumulate rocks mainly composed of augite with variable amounts of olivine and groundmass (mesostasis). Currently seven samples are known: Nakhla (Nak), Governador Valadares (GV), Lafayette (Laf), NWA817, Y000593 (Y), NWA998 and MIL03346 (MIL). All the nakhlites show a similar unbrecciated cumulate texture, and their identical crystallization and exposure ages suggest that they originated from the same igneous body on Mars and were ejected by the same impact event. It is important to study difference of their mineralogy to reconstruct the igneous body from which nakhlites originated. Augite grains in all nakhlites have a nearly identical core composition (En39Fs22Wo39) and have thin Fe-rich rims. These Fe-rich rims are zoned to Ca-poor pyroxene compositions and the degree of chemical zoning varies from one sample to another. NWA998 has the most Mg-rich edge composition. The edge composition becomes more Fe-rich in the order of Laf, Nak/GV, Y and NWA817. Unlike other samples, the Fe-rich edge of MIL augite is zoned to the hedenbergite composition. Olivine grains in all samples except Laf and NWA998 show extensive chemical zoning whose degree is clearly related to the chemical zoning of pyroxenes. MIL and NWA817 have the widest compositional ranges (Fa54-93). Y has a slightly narrower compositional range of Fa58-85. Nak and GV have even narrower ranges (Fa58-72). In contrast to these samples, olivines in Laf and NWA998 are homogeneous (Fa66-67 and Fa61-62, respectively). Such chemical zoning (Fa and Ca) can be used to quantitatively estimate their cooling rates (burial depths) because it was clearly formed by interaction with the intercumulus melt. The obtained burial depths are 1-2 m for NWA817, 4 m for MIL, 7 m for Y, approx.10 m for Nak and GV, and >30 m for Laf and NWA998. This order is clearly related to the degree of pyroxene chemical zoning. The abundance and mineralogy of nakhlite groundmass are also consistent with this order. In Nak, GV and Laf, the groundmass abundance is about 7-8%. Y and NWA998 have a slightly higher abundance (10%), while NWA817 and MIL have much higher abundance (20-24%). The groundmass texture is also related to its abundance. The groundmass of Nak, GV, Laf and Y is mainly composed of feldspar laths. In contrast, NWA817 and MIL have glassy mesostasis without feldspar crystals. In NWA998, feldspar is a large blocky crystal with clear twinning, suggesting that it is even deeper than Laf.

Mikouchi, T.↗
NASA NTRS1983

Lagged average forecasting, an alternative to Monte Carlo forecasting

A 'lagged average forecast' (LAF) model is developed for stochastic dynamic weather forecasting and used for predictions in comparison with the results of a Monte Carlo forecast (MCF). The technique involves the calculation of sample statistics from an ensemble of forecasts, with each ensemble member being an ordinary dynamical forecast (ODF). Initial conditions at a time lagging the start of the forecast period are used, with varying amounts of time for the lags. Forcing by asymmetric Newtonian heating of the lower layer is used in a two-layer, f-plane, highly truncated spectral model in a test forecasting run. Both the LAF and MCF are found to be more accurate than the ODF due to ensemble averaging with the MCF and the LAF. When a regression filter is introduced, all models become more accurate, with the LAF model giving the best results. The possibility of generating monthly or seasonal forecasts with the LAF is discussed.

Hoffman, R. N.↗
NASA NTRS1985

Application of lagged averaged forecasting to medium range forecasting

The lagged average forecast (LAF) method for predicting and compensating for forecast error growth is applied to two 100 day samples of 10 day forecasts at the 500 mb altitude for winter-summer 1980-81. The LAF parameterizes the forecast error growth in order to weight the forecast with regression calculations. A 5 day LAF forecast was generated for a 10 day forecast made with a 1681 d.o.f. model which produced predictions using a truncated spherical harmonic expansion. A 100 day data set was employed, with the first 90 days serving for LAF forecasts for the model forecast. Significant improvements were obtained in the model forecast when the LAF weightings were introduced into the model variables.

Dalcher, A.↗
NASA NTRS1988

Medium range lagged average forecasts

In this work, the application of the lagged average forecasting (LAF) technique to operational forecasts of the ECMWF is reported. The ECMWF data consist of two 100-day samples of 10-day forecasts of 500-mb geopotential height for winter 1980/81 and summer 1981. the LAF ensemble includes the latest operational forecast, and also forecast for the same verification time started one or more days earlier than the latest one. The focus is on the following two issues: (1) does ensemble averaging improve forecast skill and (2) is the dispersion of the ensemble useful in predicting forecast skill. The LAF technique was used to produce 3, 5, 7, 8, and 9 day forecasts of the 500-mb height field. The results show that the statistically filtered LAF is a marked improvment upon the operational forecast after 5 days. It is found that on a global scale, forecast skill is weakly correlated with the dispersion of the ensemble, as measured by the rms difference between the operational forecast and the statistically filtered LAF.

Dalcher, Amnon↗
DOE OSTI2025

Energetic and Electronic Properties of AcX and LaX (X = O and F)

The bonding and spectroscopic properties of LaX and AcX (X = O and F) diatomic molecules were studied by highlevel ab initio CCSD(T) and SO-CASPT2 electronic structure calculations. Bond dissociation energies (BDEs) were calculated at the Feller−Peterson−Dixon (FPD) level. Potential energy curves and spectroscopic constants for the lowest-lying spin−orbit Ω states were obtained at the SO-CASPT2/aQ-DK level. A dense manifold of excited states was described for the monofluorides with the ground states well separated from the excited states. The spectroscopic parameters were in good agreement with those reported experimentally for LaO and LaF. For the diatomic molecules containing actinides, no experimental data of these parameters was found, but the results were consistent with other high-level calculations. The BDEs calculated at the FPD level were 791.3 (LaO), 705.2 (AcO), 650.0 (LaF), and 678.6 (AcF) kJ/ mol. The NBO analysis showed that the monofluorides are essentially ionic, which explains why the BDE(AcF) is higher than BDE(LaF); for the monoxides, covalent contributions involving the d orbitals of the metal and the p orbitals of the oxygen are stronger for LaO than AcO, which explains the higher BDE for LaO. Finally, the bond orders are predicted to be 2 for LaF and AcF, 3 for AcO, and higher than 3 for LaO.

Basis sets↗
DOE OSTI2023

Convergence of small scale Ly α structure at high- z under different reionization scenarios

ABSTRACT The Ly α forest (LAF) at z > 5 probes the thermal and reionization history of the intergalactic medium (IGM) and the nature of dark matter, but its interpretation requires comparison to cosmological hydrodynamical simulations. At high-z, convergence of these simulations is more exacting since transmission is dominated by underdense voids that are challenging to resolve. With evidence mounting for a late end to reionization, small structures down to the sub-kpc level may survive to later times than conventionally thought due to the reduced time for pressure smoothing to impact the gas, further tightening simulation resolution requirements. We perform a suite of simulations using the Eulerian cosmological hydrodynamics code Nyx, spanning domain sizes of 1.25 − 10 h−1 Mpc and 5 − 80 h−1 kpc cells, and explore the interaction of these variables with the timing of reionization on the properties of the matter distribution and the simulated LAF at z = 5.5. In observable Ly α power, convergence within 10 per cent is achieved for k < 0.1 s km–1, but larger k shows deviation of up to 20 per cent. While a later reionization retains more small structure in the density field, because of the greater thermal broadening there is little difference in the convergence of LAF power between early (z = 9) and later (z = 6) reionizations. We conclude that at z ∼ 5.5, resolutions of 10 kpc are necessary for convergence of LAF power at k < 0.1 s km–1, while higher-k modes require higher resolution, and that the timing of reionization does not significantly impact convergence given realistic photoheating.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Integration of Air Classification and Hydrothermal Carbonization to Enhance Energy Recovery of Corn Stover

Air classification (AC) is a cost-effective technology that separates the energy-dense light ash fraction (LAF) from the inorganic-rich high ash fraction (HAF) of corn stover. HAF could be upgraded into energy-dense solid fuel by hydrothermal carbonization (HTC). However, HTC is a high-temperature, high-pressure process, which requires additional energy to operate. In this study, three different scenarios (i.e., AC only, HTC only, and integrated AC–HTC) were investigated for the energy recovery of corn stover. AC was performed on corn stover at an 8 Hz fan speed, which yielded 84.4 wt. % LAF, 12.8 wt. % HAF, and 2.8 wt. % below screen particles. About 27 wt. % ash was reduced from LAF by the AC process. Furthermore, HTC was performed on raw corn stover and the HAF of corn stover at 200, 230, and 260 °C for 30 min. To evaluate energy recovery, solid products were characterized in terms of mass yield, ash yield, ultimate analysis, proximate analyses, and higher heating value (HHV). The results showed that the energy density was increased with the increase in HTC temperature, meanwhile the mass yield and ash yield were decreased with the increase in HTC temperature. Proximate analysis showed that fixed carbon increased 18 wt. % for original char and 27 wt. % for HAF char at 260 °C, compared to their respective feedstocks. Finally, the hydrochar resulting from HAF was mixed with LAF and pelletized at 180 bar and 90 °C to densify the energy content. An energy balance of the integrated AC–HTC process was performed, and the results shows that integrated AC with HTC performed at 230 °C resulted in an additional 800 MJ/ton of energy recovery compared to the AC-only scenario.

09 BIOMASS FUELS↗
NASA NTRS1984

Lagged average forecasting, some operational considerations

The Lagged Average Forecast (LAF) method differs from the Monte Carlo Forecast (MCF) method in the definition of the ensemble of initial states which are used to generate the ensemble of forecasts. The LAF initial states are the current analysis and the forecasts made from previous analyses verifying the current time. Thus the LAF ensemble is composed of forecasts which are made by a regular operational system of numerical weather prediction and the LAF method is therefore operationally attractive. The application of the authors' previous ideas and results to an operational model requires the resolution of what might be called the degrees of freedom problem, i.e., how to obtain a homogeneous sample large enough to calculate stable statistics. It is suggested that this problem may be solved by carefully modeling the required statistics in terms of a small set of parameters and then estimating only these few parameters from the data. It is noted that there may be considerable information in each initial ensemble relating to the predictability of each particular case, and that this information may be incorporated in the model of the statistics.

Hoffman, R. N.↗
NASA NTRS2006

Relative Burial Depths of Nakhlites: An Update

Nakhlites are augite-rich cumulate rocks with variable amounts of olivine and groundmass plus minor Fe, Ti oxides [e.g., 1]. Our previous studies revealed that nakhlites showed correlated petrography and mineralogy that could be explained by different locations (burial depths) in a common cooling cumulate pile [e.g., 2]. We so far analyzed six of the seven currently known nakhlites, Nakhla (Nak), Governador Valadares (GV), Lafayette (Laf), NWA817, Y000593 (Y) and MIL03346 (MIL) [e.g., 2,3] and calculated cooling rates of four nakhlites (Nak, GV, Laf, and NWA817) by using chemical zoning of olivine [e.g., 4]. In this abstract, we complete our examination of petrographic and mineralogical variation of all currently known nakhlites by adding petrology and mineralogy of NWA998. We also report results of cooling calculations for Y, MIL and NWA998. Then, we update our model of the nakhlite igneous body in terms of relative burial depth of each sample.

Mikouchi, T.↗
DOE OSTI2021

Incorporation and Assembly of a Light-Emitting Enzymatic Reaction into Model Protein Condensates

Eukaryotic cells partition enzymes and other cellular components into distinct subcellular compartments to generate specialized biochemical niches. A subclass of these compartments form in the absence of lipid membranes, via liquid-liquid phase separation of proteins to form biomolecular condensates or “membraneless organelles” such as nucleoli, stress granules, and P-bodies. Because of their ability to form compartments from simple starting materials, membraneless organelles are an attractive target for engineering new functionalities in both living cells and protocells. In this work, we demonstrate incorporation of novel enzymatic activity in protein coacervates with a light-generating enzyme, NanoLuc, to produce bioluminescence. Using condensates comprised of the disordered RGG domain of C. elegans LAF-1, we show functionalization of condensates with enzymatic activity in vitro and that localization to protein coacervates enhances the assembly and activity of split enzymes. To build condensates that function as light emitting reactors, we designed a NanoLuc enzyme flanked by RGG domains. Furthermore, the resulting condensates concentrated NanoLuc by 10-fold over bulk solution and display significantly increased net reaction rates. We further show that condensate viscosity impacts light emission due to diffusion-limited behavior. By splitting NanoLuc enzyme into its constituent components, we demonstrate that NanoLuc activity can be reconstituted via co-condensation. Further, we demonstrate control of the spatial localization of enzyme within condensates by targettng NanoLuc to the surface of in vitro condensates. Collectively, this work demonstrates that membraneless organelles can be endowed with localized enzymatic activity, and that this activity can be spatially and temporally controlled via enzyme reconstitution and design of protein surfactants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗