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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Longitudinal Differences of Ionospheric Vertical Density Distribution and Equatorial Electrodynamics

Accurate estimation of global vertical distribution of ionospheric and plasmaspheric density as a function of local time, season, and magnetic activity is required to improve the operation of space-based navigation and communication systems. The vertical density distribution, especially at low and equatorial latitudes, is governed by the equatorial electrodynamics that produces a vertical driving force. The vertical structure of the equatorial density distribution can be observed by using tomographic reconstruction techniques on ground-based global positioning system (GPS) total electron content (TEC). Similarly, the vertical drift, which is one of the driving mechanisms that govern equatorial electrodynamics and strongly affect the structure and dynamics of the ionosphere in the low/midlatitude region, can be estimated using ground magnetometer observations. We present tomographically reconstructed density distribution and the corresponding vertical drifts at two different longitudes: the East African and west South American sectors. Chains of GPS stations in the east African and west South American longitudinal sectors, covering the equatorial anomaly region of meridian approx. 37 deg and 290 deg E, respectively, are used to reconstruct the vertical density distribution. Similarly, magnetometer sites of African Meridian B-field Education and Research (AMBER) and INTERMAGNET for the east African sector and South American Meridional B-field Array (SAMBA) and Low Latitude Ionospheric Sensor Network (LISN) are used to estimate the vertical drift velocity at two distinct longitudes. The comparison between the reconstructed and Jicamarca Incoherent Scatter Radar (ISR) measured density profiles shows excellent agreement, demonstrating the usefulness of tomographic reconstruction technique in providing the vertical density distribution at different longitudes. Similarly, the comparison between magnetometer estimated vertical drift and other independent drift observation, such as from VEFI onboard Communication/Navigation Outage Forecasting System (C/NOFS) satellite and JULIA radar, is equally promising. The observations at different longitudes suggest that the vertical drift velocities and the vertical density distribution have significant longitudinal differences; especially the equatorial anomaly peaks expand to higher latitudes more in American sector than the African sector, indicating that the vertical drift in the American sector is stronger than the African sector.

total electron content↗
NASA NTRS2019

Evaluating a Regional Climate Model Simulation of Greenland Ice Sheet Snow and Firn Density for Improved Surface Mass Balance Estimates

Modeling vertical profiles of snow and firn density near the surface of the Greenland ice sheet (GrIS) is key to estimating GrIS mass balance, and by extension, global sea level change. To understand sources of error in simulated GrIS density, we compare GrIS density profiles from a leading regional climate model with coincident in situ measurements. We identify key contributors to model density and mass balance biases, including underestimated simulated fresh snow density (which leads to underestimation of density in the top 1 m of snow by ~10%). In areas undergoing frequent melting, positive density biases (of 7% in the top 1 m, and 10% between 1 and 10 m) are likely associated with errors in representing meltwater production, retention and refreezing. The results highlight the importance of accurately capturing fresh snow density and meltwater processes in models used to estimate GrIS mass balance change.

P M Alexander↗
NASA NTRS2017

Evidence for a Low Bulk Crustal Density for Mars from Gravity and Topography

Knowledge of the average density of the crust of a planet is important in determining its interior structure. The combination of high-resolution gravity and topography data has yielded a low density for the Moon’s crust, yet for other terrestrial planets the resolution of the gravity field models has hampered reasonable estimates. By using well-chosen constraints derived from topography during gravity field model determination using satellite tracking data, we show that we can robustly and independently determine the average bulk crustal density directly from the tracking data, using the admittance between topography and imperfect gravity. We find a low average bulk crustal density for Mars, 2582 ± 209 kgm−3. This bulk crustal density is lower than that assumed until now. Densities for volcanic complexes are higher, consistent with earlier estimates, implying large lateral variations in crustal density. In addition, we find indications that the crustal density increases with depth.

Goossens, Sander J.↗
NASA NTRS2021

Physics-Based SNOWPACK Model Improves Representation of Near-Surface Antarctic Snow and Firn Density

Estimates of snow and firn density are required for satellite-altimetry-based retrievals of ice sheet mass balance that rely on volume-to-mass conversions. Therefore, biases and errors in presently used density models confound assessments of ice sheet mass balance and by extension ice sheet contribution to sea level rise. Despite this importance, most contemporary firn densification models rely on simplified semi-empirical methods, which are partially reflected by significant modeled density errors when compared to observations. In this study, we present a new drifting-snow compaction scheme that we have implemented into SNOWPACK, a physics-based land surface snow model. We show that our new scheme improves existing versions of SNOWPACK by increasing simulated near-surface (defined as the top 10 m) density to be more in line with observations (near-surface bias reduction from −44.9 to −5.4 kg m−3). Furthermore, we demonstrate high-quality simulation of near-surface Antarctic snow and firn density at 122 observed density profiles across the Antarctic ice sheet, as indicated by reduced model biases throughout most of the near-surface firn column when compared to two semi-empirical firn densification models (SNOWPACK mean bias=−9.7 kg m−3, IMAU-FDM mean bias=−32.5 kg m−3, GSFC-FDM mean bias=15.5 kg m−3). Notably, our analysis is restricted to the near surface where firn density is most variable due to accumulation and compaction variability driven by synoptic weather and seasonal climate variability. Additionally, the GSFC-FDM exhibits lower mean density bias from 7–10 m (SNOWPACK bias=−22.5 kg m−3, GSFC-FDM bias=10.6 kg m−3) and throughout the entire near surface at high-accumulation sites (SNOWPACK bias=−31.4 kg m−3, GSFC-FDM bias=−4.7 kg m−3). However, we found that the performance of SNOWPACK did not degrade when applied to sites that were not included in the calibration of semi-empirical models. This suggests that SNOWPACK may possibly better represent firn properties in locations without extensive observations and under future climate scenarios, when firn properties are expected to diverge from their present state.

Eric Keenan↗
DOE OSTI2016

A novel technique for real-time estimation of edge pedestal density gradients via reflectometer time delay data

A new model-based technique for fast estimation of the pedestal electron density gradient has been developed. The technique uses ordinary mode polarization profile reflectometer time delay data and does not require direct profile inversion. Because of its simple data processing, the technique can be readily implemented via a Field-Programmable Gate Array, so as to provide a real-time density gradient estimate, suitable for use in plasma control systems such as envisioned for ITER, and possibly for DIII-D and Experimental Advanced Superconducting Tokamak. The method is based on a simple edge plasma model with a linear pedestal density gradient and low scrape-off-layer density. By measuring reflectometer time delays for three adjacent frequencies, the pedestal density gradient can be estimated analytically via the new approach. Using existing DIII-D profile reflectometer data, the estimated density gradients obtained from the new technique are found to be in good agreement with the actual density gradients for a number of dynamic DIII-D plasma conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation

The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional. Unfortunately, it spoils the slowly-varying-in-space limits of the uncorrected approximate functionals, where those functionals are right by construction. The right limits can be restored by locally scaling down the energy density of the PZ SIC in many-electron regions, but then a spurious correction to the exact functional would be found unless the self-Hartree and exact self-xc terms of the PZ SIC energy density were expressed in the same gauge. Only the local density approximation satisfies the same-gauge condition for the energy density, which explains why the recent local-scaling SIC (LSIC) is found here to work excellently for atoms and molecules only with this basic approximation, and not with the more advanced generalized gradient approximations (GGAs) and meta-GGAs, which lose the Hartree gauge via simplifying integrations by parts. The transformation of energy density that achieves the Hartree gauge for the exact xc functional can also be applied to approximate functionals. Doing so leads to a simple scaled-down self-interaction (sdSIC) correction that is typically much more accurate than PZ SIC in tests for many molecular properties (including equilibrium bond lengths). The present work shows unambiguously that the largest errors of PZ SIC applied to standard functionals at three levels of approximation can be removed by restoring their correct slowlyvarying- density limits. Here, it also confirms the relevance of these limits to atoms and molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cluster model of C 12 in the density functional theory framework

We employ the constrained density functional theory to investigate cluster phenomena for the 12 C nucleus. The proton and neutron densities are generated from the placement of three 4 He nuclei (α particles) geometrically. These densities are then used in a density constrained Hartree-Fock calculation that produces an antisymmetrized state with the same densities through energy minimization. In the calculations no a priori analytic form for the single-particle states is assumed and the full energy density functional is utilized. The geometrical scan of the energy landscape provides the ground state of 12 C as an equilateral triangular configuration of three αs with molecular bond like structures. The use of the nucleon localization function provides further insight to these configurations. One can conclude that these configurations are a hybrid between a pure mean-field and a pure α particle condensate. Furthermore, this development could facilitate density functional theory based fusion calculations with a more realistic 12 C ground state.

6 ≤ A ≤ 19↗
DOE OSTI2016

THE ELECTRON DENSITY IN EXPLOSIVE TRANSITION REGION EVENTS OBSERVED BY IRIS

We discuss the intensity ratio of the O iv line at 1401.16 Å to the Si iv line at 1402.77 Å in Interface Region Imaging Spectrograph ( IRIS ) spectra. This intensity ratio is important if it can be used to measure high electron densities that cannot be measured using line intensity ratios of two different O iv lines from the multiplet within the IRIS wavelength range. Our discussion is in terms of considerably earlier observations made from the Skylab manned space station and other spectrometers on orbiting spacecraft. The earlier data on the O iv and Si iv ratio and other intersystem line ratios not available to IRIS are complementary to IRIS data. In this paper, we adopt a simple interpretation based on electron density. We adopt a set of assumptions and calculate the electron density as a function of velocity in the Si iv line profiles of two explosive events. At zero velocity the densities are about 2–3 × 10{sup 11} cm{sup -3}, and near 200 km s{sup -1} outflow speed the densities are about 10{sup 12} cm{sup -3}. The densities increase with outflow speed up to about 150 km s{sup -1} after which they level off. Because of the difference in the temperature of formation of the two lines and other possible effects such as non-ionization equilibrium, these density measurements do not have the precision that would be available if there were some additional lines near the formation temperature of O iv.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Selective laser melting of 304L stainless steel: Role of volumetric energy density on the microstructure, texture and mechanical properties

The role of volumetric energy density on the microstructural evolution, texture and mechanical properties of 304L stainless steel parts additively manufactured via selective laser melting process is investigated. 304L is chosen because it is a potential candidate to be used as a matrix in a metal matrix composite with nanoparticles dispersion for energy and high temperature applications. The highest relative density of 99 %±0.5 was achieved using a volumetric energy density of 1400 J/mm 3 . Both XRD analysis and Scheil simulation revealed the presence of a small trace of the delta ferrite phase, due to rapid solidification within the austenitic matrix of 304L. Here, a fine cellular substructure ranged between 0.4–1.8 μm, was detected across different energy density values. At the highest energy density value, a strong texture in the direction of [100] was identified. At lower energy density values, multicomponent texture was found due to high nucleation rate and the existing defects. Yield strength, ultimate tensile strength, and microhardness of samples with a relative density of 99 % were measured to be 540 ± 15 MPa, 660 ± 20 MPa and 254 ± 7 HV, respectively and higher than mechanical properties of conventionally manufactured 304L stainless steel. Heat treatment of the laser melted 304L at 1200 °C for 2 h, resulted in the nucleation of recrystallized equiaxed grains followed by a decrease in microhardness value from 233 ± 3 HV to 208 ± 8 HV due to disappearance of cellular substructure.

304L stainless steel↗
DOE OSTI2022

Turbine scale and siting considerations in wind plant layout optimization and implications for capacity density

Improvements in wind energy technology, reduced costs, and ambitious clean energy goals have led to projections of high wind contribution in coming years. Developing methodologies to design wind plants with a variety of siting constraints and turbine sizes helps enable high wind penetration, and gain a better understanding of how wind plants are sensitive to setback constraints and turbine design. In this paper, we present a two-step optimization method to simultaneously determine the optimal number of turbines and their locations in a wind plant domain divided into many small, discrete parcels. We present the optimized performance metrics of a wind plant optimized with different turbine sizes and ratings, and with different siting restrictions within the wind plant. Our results indicate that taller and larger turbines are more sensitive to increasing siting constraints. We also compare the optimal wind plant layouts and performance for wind plants optimized for minimum COE and maximum profit. Wind plants optimized for profit had 130%-190% of the capacity of plants optimized for COE, which demonstrates that the optimal results are greatly affected by the objective function, which should be carefully considered. Finally, in this paper we demonstrate the effect of increasing siting constraints on wind plant capacity density, and how the results change when different land areas are used to calculate capacity density. When using the entire wind plant boundary area to determine capacity density, increasing siting constraints decreases the capacity density. However, when we only use the available area (the area left after removing the siting constraints) to calculate the capacity density, increasing the siting constraints increases capacity density. This is a critical insight because of how capacity density is typically defined and used in research, and has important implications for assessment of technical potential and capacity expansion modeling, as well as future wind deployment potential.

17 WIND ENERGY↗
DOE OSTI2021

Effect of edge plasma density on hot spot in LHCD plasma in EAST

Hot spots are a serious challenge limiting long pulse operation with lower hybrid current drive (LHCD) in tokamaks. Here, in order to mitigate hot spots in the guard limiter and improve LHCD capability, the effect of edge plasma density on inducing hot spots and current drive has been studied in EAST. The temperature in the guard limiter of the LH antenna, inducing hot spot directly, increases with edge density and LH power. Studies show that the hot spot is mainly ascribed to the heat flux in front of LH antenna. Further simulation indicates that such spots correspond to the peak position of edge density due to local LH electric field. In addition, due to the stronger parametric instability (PI) behavior in the case of higher edge density, the current drive capability decreases with edge density. Strike-point splitting behaviour appears as density increase, in agreement with current profiles in the edge region and the reduction of total driven current, suggesting that more power is deposited in the edge region, which then contributes more to hot spot formation. These studies offer one possible idea to optimize the edge density so as to satisfy the coupling, mitigate the heat flux in the guard limiter, and improve current drive capability in fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Toward a QUBO-Based Density Matrix Electronic Structure Method

Density matrix electronic structure theory is used in many quantum chemistry methods to “alleviate” the computational cost that arises from directly using wave functions. Although density matrix based methods are computationally more efficient than wave function based methods, significant computational effort is involved. Because the Schrödinger equation needs to be solved as an eigenvalue problem, the time-to-solution scales cubically with the system size in mean-field type approaches such as Hartree–Fock and density functional theory and is solved as many times in order to reach charge or field self-consistency. We hereby propose and study a method to compute the density matrix by using a quadratic unconstrained binary optimization (QUBO) solver. This method could be useful to solve the problem with quantum computers and, more specifically, quantum annealers. Our proposed approach is based on a direct construction of the density matrix using a QUBO eigensolver. We explore the main parameters of the algorithm focusing on precision and efficiency. We show that, while direct construction of the density matrix using a QUBO formulation is possible, the efficiency and precision have room for improvement. Moreover, calculations performed with quantum annealing on D-Wave’s new Advantage quantum computer are compared with results obtained with classical simulated annealing, further highlighting some problems of the proposed method. Finally, we also suggest alternative methods that could lead to a more efficient QUBO-based density matrix construction.

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

Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction

The Perdew−Zunger self-interaction correction (PZSIC) makes density functional approximations (DFAs) exact for all one-electron densities. However, it overcorrects in manyelectron regions, introducing errors for the uniform-density limit, where uncorrected DFAs are exact. The locally scaled PZSIC (LSIC), based on the iso-orbital indicator zσ [which distinguishes single-orbital and slowly varying density regions and is used with the local spin density approximation (LSDA)], restores the uniform-density limit and significantly improves results for many properties, including chemical reaction barrier heights, atomization energies, and ionization potentials. Yet, LSIC performs poorly for weakly bonded systems, leaving many unbound, due to limitations of its iso-orbital indicator. To correct this, in this work we propose a new local scaling, LSIC-α, based on the iso-orbital indicator ασ (which additionally identifies regions of overlapping density tails). A two-parameter scaling function of ασ is fitted to a subset of the nonbonded appropriate norms for the SCAN and r2SCAN meta- GGAs, and tested on many properties of main-group atoms, molecules, and molecular complexes. LSIC-α greatly improves the interaction energies of weakly bonded systems in the S22 data set while retaining LSIC’s accuracy for other properties. This work shows that the errors of LSDA (and presumably of higher-level DFAs) can be largely but not entirely repaired by a proper “do no harm” self-interaction correction.

Approximation↗
DOE OSTI2020

Two-Dimensional Molecular Charge Density Waves in Single-Layer-Thick Islands of a Dirac Fermion System

Charge density waves have been intensely studied in inorganic materials such as transition metal dichalcogenides however its counterpart in organic materials has yet to be explored in detail. Here we report the finding of a robust two dimensional charge density waves in molecular layers formed by α-(BEDT-TTF) 2 -I 3 on a Ag(111) surface. Low temperature scanning tunnelling microscopy images of a multi-layer thick α-(BEDT-TTF) 2 -I 3 on Ag(111) substrate reveal coexistence of 5a0 x 5a0 and √31 a0 x √31 a0 R9° charge density wave patterns commensurate with the underlying molecular lattice at 80 K. Both charge density wave patterns remain in nano-size molecular islands with just a single constituent molecular-layer thickness at 80 K and 5 K. Local tunneling spectroscopy measurements reveal the variation of the gap from 244 meV to 288 meV between the maximum and minimum charge density wave locations. Density functional theory calculations further confirm a vertical positioning of BEDT-TTF molecules in the molecular layer. While the observed charge density wave patterns are stable for the defect sites, they can be reversely switched for one molecular lattice site by means of inelastic tunnelling electron energy transfer with the electron energies exceeding 400 meV using a scanning tunneling microscope manipulation scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Role of density modulation in the spatially resolved dynamics of strongly confined liquids

Confinement by walls usually produces a strong modulation in the density of dense liquids near the walls. Using molecular dynamics simulations, we examine the effects of the density modulation on the spatially resolved dynamics of a liquid confined between two parallel walls, using a resolution of a fraction of the interparticle distance in the liquid. The local dynamics is quantified by the relaxation time associated with the temporal autocorrelation function of the local density. We find that this local relaxation time varies in phase with the density modulation. The amplitude of the spatial modulation of the relaxation time can be quite large, depending on the characteristics of the wall and thermodynamic parameters of the liquid. To disentangle the effects of confinement and density modulation on the spatially resolved dynamics, we compare the dynamics of a confined liquid with that of an unconfined one in which a similar density modulation is induced by an external potential. We find several differences indicating that density modulation alone cannot account for all the features seen in the spatially resolved dynamics of confined liquids. We also examine how the dynamics near a wall depends on the separation between the two walls and show that the features seen in our simulations persist in the limit of large wall separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Room temperature depinning of the charge-density waves in quasi-two-dimensional 1T-TaS 2 devices

Here we report on the depinning of nearly commensurate charge-density waves in 1T-TaS 2 thin films at room temperature. A combination of the differential current–voltage measurements with the low-frequency noise spectroscopy provides unambiguous means for detecting the depinning threshold field in quasi-2D materials. The depinning process in 1T-TaS 2 is not accompanied by an observable abrupt increase in electric current—in striking contrast to depinning in the conventional charge-density-wave materials with quasi-1D crystal structure. We explained it by the fact that the current density from the charge-density waves in the 1T-TaS 2 devices is orders of magnitude smaller than the current density of the free carriers available in the discommensuration network surrounding the commensurate charge-density wave islands. The depinning fields in 1T-TaS 2 thin-film devices are several orders of magnitude larger than those in quasi-1D van der Waals materials. Obtained results are important for the proposed applications of the charge-density wave devices in electronics.

2D materials↗
DOE OSTI2019

A Fokker–Planck approach to a moment closure for mixing in variable-density turbulence

We develop a theory for the cascade mixing terms in a moment closure approach to binary active scalar mixing in variable-density turbulence. To address the variable-density complications we apply, as a principle and constraint, the conservation of the probability density function (PDF) through a Fokker–Planck equation with bounded sample space whose attractor is the beta PDF with skewness. Mixing is related to a single-point PDF as a realisability principle to provide mathematically rigorous expressions for the small scale statistics in terms of largescale moments. The problem of the unknown small-scale mixing is replaced with the determination of the drift and diffusion terms of a Fokker–Planck equation in a beta-PDF-convergent stochastic process. We find that realisability of a beta-convergent process requires the mixing time-scale ratio, taken as a constant in passive scalar mixing, to be a function of the mean mass fraction, mean fluid density, the Atwood number, the density-volume correlation and moments of the density field. We develop and compare the new model with direct numerical simulations data of non-stationary homogeneous variable-density turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Maximization of ICRF power by SOL density tailoring with local gas injection

We report that experiments have been performed under the coordination of the International Tokamak Physics Activity (ITPA) on several tokamaks, including ASDEX Upgrade (AUG), JET and DIII-D, to characterize the increased Ion cyclotron range of frequency (ICRF) antenna loading achieved by optimizing the position of gas injection relative to the RF antennas. On DIII-D, AUG and JET (with the ITER-Like Wall) a 50% increase in the antenna loading was observed when injecting deuterium in ELMy H-mode plasmas using mid-plane inlets close to the powered antennas instead of divertor injection and, with smaller improvement when using gas inlets located at the top of the machine. The gas injection rate required for such improvements (similar to 0.7 x 10(22) el s(-1) in AUG, similar to 1.0 x 10(22) el s(-1) in JET) is compatible with the use of this technique to optimize ICRF heating during the development of plasma scenarios and no degradation of confinement was observed when using the mid-plane or top inlets compared with divertor valves. An increase in the scrape-off layer (SOL) density was measured when switching gas injection from divertor to outer mid-plane or top. On JET and DIII-D, the measured SOL density increase when using main chamber puffing is consistent with the antenna coupling resistance increase provided that the distance between the measurement lines of sight and the injection location is taken into account. Optimized gas injection was also found to be beneficial for reducing tungsten (W) sputtering at the AUG antenna limiters, and also to reduce slightly the W and nickel (Ni) content in JET plasmas. Modeling the specific effects of divertor/top/mid-plane injection on the outer mid-plane density was carried out using both the EDGE2D-EIRENE and EMC3-EIRENE plasma boundary code packages; simulations indeed indicate that outer mid-plane gas injection maximizes the density in the mid-plane close to the injection point with qualitative agreement with the AUG SOL density measurements for EMC3-EIRENE. Field line tracing for ITER in the 15 MA Q(DT) = 10 reference scenario indicates that the planned gas injection system could be used to tailor the density in front the antennas. Lastly, benchmarking of EMC3-EIRENE against AUG and JET data is planned as a first step towards the ITER SOL modelling required to quantify the effect of gas injection on the SOL density in front of the antennas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗