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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

INFERRING THE CORONAL DENSITY IRREGULARITY FROM EUV SPECTRA

Understanding the density structure of the solar corona is important for modeling both coronal heating and the solar wind. Direct measurements are difficult because of line-of-sight integration and possible unresolved structures. We present a new method for quantifying such structures using density-sensitive extreme ultraviolet line intensities to derive a density irregularity parameter, a relative measure of the amount of structure along the line of sight. We also present a simple model to relate the inferred irregularities to physical quantities, such as the filling factor and density contrast. For quiet-Sun regions and interplume regions of coronal holes, we find a density contrast of at least a factor of 3–10 and corresponding filling factors of about 10%–20%. Our results are in rough agreement with other estimates of the density structures in these regions. The irregularity diagnostic provides a useful relative measure of unresolved structure in various regions of the corona.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

DENSITY PERTURBATION BY ALFVÉN WAVES IN MAGNETO-PLASMA

In this article, we attempt to investigate the density perturbations along magnetic field by ponderomotive effects due to inertial Alfvén waves (AWs) in auroral ionosphere. For this study, we take high-frequency inertial AWs (pump) and their nonlinear interactions with low-frequency slow modes of AWs in that region. The dynamical equations representing these wave modes are known as the Zakharov like equation, and are solved numerically. From the results presented here, we notice the density perturbations in the direction of background magnetic fields. We also find that the deepest density cavity is associated with the strongest magnetic fields. The main reason for these nonlinear structures could be the ponderomotive effects due to the pump waves. The amplitude of these density structures varies with time until the modulation instability saturates. From our results, we estimate the amplitude of most intense cavity as ∼15% of the unperturbed plasma number density n {sub 0}, which is consistent with the observations. These density structures could be the locations for particle energizations in this region.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2014

Global Characteristics of Porosity and Density Stratification Within the Lunar Crust from GRAIL Gravity and Lunar Orbiter Laser Altimeter Topography Data

The Gravity Recovery and Interior Laboratory (GRAIL) mission is providing unprecedentedly high-resolution gravity data. The gravity signal in relation to topography decreases from 100 km to 30 km wavelength, equivalent to a uniform crustal density of 2450 kg/cu m that is 100 kg/cu m smaller than the density required at 100 km. To explain such frequency-dependent behavior, we introduce rock compaction models under lithostatic pressure that yield radially stratified porosity (and thus density) and examine the depth extent of porosity. Our modeling and analysis support the assertion that the crustal density must vary from surface to deep crust by up to 500 kg/cu m. We found that the surface density of mega regolith is around 2400 kg/cu m with an initial porosity of 10-20%, and this porosity is eliminated at 10-20 km depth due to lithostatic overburden pressure. Our stratified density models provide improved fits to both GRAIL primary and extended mission data.

Density↗
NASA NTRS2019

Experimental Forward Flight Rotor Performance Testing from Terrestrial to Martian Atmospheric Densities

With the recent interest in Martian exploration using Unmanned Aerial Vehicles (UAV), an experimental study was conducted to investigate rotor performance at Martian atmospheric conditions. Both simulation and testing of rotors is vital for the evaluation of performance and behavior of rotor, especially for operations at Martian atmospheric densities and pressures. Testing and measuring rotor forward flight performance at Martian atmospheric conditions is a relatively unexplored area. Therefore, an experimental study was performed in a wind tunnel to investigate helicopter forward flight performance and to demonstrate successful rotor operation at Martian atmospheric densities. This work was a continuation of the first ever wind tunnel test of a simulated rotorcraft in forward flight at Martian atmospheric densities. A test was conducted in a facility, which could be evacuated to the atmospheric pressure and density of Mars. A 40-in diameter rotor, roughly approximating the scale of the proposed Mars Helicopter design by the NASA Jet Propulsion Laboratory (JPL), was tested in forward flight at Mars atmospheric pressure at the NASA Ames Planetary Aeolian Laboratory (PAL). In this forward flight testing, the drive system of the Martian Surface Wind Tunnel (MARSWIT) was never turned on. The goal of this experiment was to collect rotor thrust, rotational speed, power, torque, and wind speed measurements. Subsequently, these results can be used for correlation with simulated cases using a mid-fidelity Computational Fluid Dynamics (CFD) simulation. Rotor thrust and power seem to decrease approximately proportional to the decrease in density. However, the Reynolds number has an effect on rotor performance that might also be contributing to the change in thrust and power. This effect plays a vital role in rotor performance at reduced pressure that cannot be neglected in the simulation. Despite the challenges involved in testing at a large difference of atmospheric densities between Earth and Mars, repeatable data is obtained in all the measurements at Martian atmospheric conditions.

Martian↗
DOE OSTI2023

Application of an Empirical Density Law via Python for Aqueous Plutonium Chloride Systems in MCNP6

Current aqueous plutonium processing models for criticality safety often contain significant bias due to material modeling assumptions. These solutions include plutonium chloride solutions, which are modeled as fictitious plutonium metal-water mixtures because little is known about the actual density of the solution. Furthermore, there is no current predictive capability for modeling plutonium metal-water mixtures that is approved for use at Los Alamos National Laboratory (LANL). Recent density measurements for aqueous plutonium chloride systems (PuCl 3 -HCl-H 2 O) now allow for the development and application of a more realistic density law. This work develops a Python-based density law for this ternary solution using an empirical method. This code can be used in conjunction with an MCNP6 input to determine the density and composition of a solution based upon user inputs of plutonium concentration, hydrochloric acid concentration, and temperature. The tool allows users to input plutonium and acid content of a solution in terms of molality, molarity, or concentration, and predicts density within the current data range within 1.4% of experimental data. Current preliminary MCNP6 calculations utilizing this tool have demonstrated a minimum decrease in system reactivity of 5% in comparison to the current modeling conventions. Thus, this tool enables more accurate criticality safety operational limits by better crediting chorine content while still maintaining necessary conservatism.

Density Law↗
DOE OSTI2016

Two symmetric n-type interfaces SrTiO{sub 3}/LaAlO{sub 3} in perovskite: Electronic properties from density functional theory

The first principles study of the (001) two symmetric n-type interfaces between two insulating perovskites, the nonpolar SrTiO{sub 3} (STO), and the polar LaAlO{sub 3} (LAO) was performed. We have analyzed the formation of metallic interface states between the STO and LAO heterointerfaces by using the all-electron full-potential linearized augmented plane-wave approach based on the density functional theory, within the local density approximation, the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA), and the Engel-Vosko GGA (EVGGA) formalism. It has been found that some bands cross the Fermi energy level (E{sub F}), forming a metallic nature of two symmetric n-type 6.5STO/1.5LAO interfaces with density of states at E{sub F}, N(E{sub F}) of about 3.56 (state/eV/unit cell), and bare electronic specific heat coefficient (γ) of about 0.62 mJ/(mol cell K{sup 2}). The electronic band stature and the partial density of states in the vicinity of E{sub F} are mainly originated from Ti1,2,3,4-3dxy orbitals. These bands are responsible for the metallic behavior and the forming of the Fermi surface of the two symmetric n-type 6.5STO/1.5LAO interfaces. To obtain a clear map of the valence band electronic charge density distribution of the two symmetric n-type 6.5STO/1.5LAO interfaces, we have investigated the bond's nature and the interactions between the atoms. It reveals that the charge is attracted towards O atoms as it is clear that the O atoms are surrounded by uniform blue spheres which indicate the maximum charge accumulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Study of Volumetrically Heated Ultra-High Energy Density Plasmas

Heating dense matter to millions of degrees is important for applications, but requires complex and expensive methods. The major goal of the project was to demonstrate using a compact laser the creation of a new ultra-high energy density plasma regime characterized by simultaneous extremely high temperature and high density, and to study it combining experimental measurements and advanced simulations. We have demonstrated that trapping of intense femtosecond laser pulses deep within ordered nanowire arrays can heat near solid density matter into a new ultra hot plasma regime. Extreme electron densities, and temperatures of several tens of million degrees were achieved using laser pulses of only 0.5 J energy from a compact laser. Our x-ray spectra and simulations showed that extremely highly ionized plasma volumes several micrometers in depth are generated by irradiation of gold and Nickel nanowire arrays with femtosecond laser pulses of relativistic intensities. We obtained extraordinarily high degrees of ionization (e.g. we peeled 52 electrons from gold atoms, and up to 26 electrons from nickel atoms). In the process we generated Gigabar pressures only exceeded in the central hot spot of highly compressed thermonuclear fusion plasmas.. The plasma created after the dissolved wires expand, collide, and thermalize, is computed to have a thermal energy density of 0.3 GJ cm -3 and a pressure of 1-2 Gigabar. These are pressures only exceeded in highly compressed thermonuclear fusion plasmas. Scaling these results to higher laser intensities promises to create plasmas with temperatures and pressures exceeding those in the center of the sun.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Bromine Assisted MnO 2 Dissolution Chemistry: Toward a Hybrid Flow Battery with Energy Density of over 300 Wh L −1

Abstract Mn 2+ /Mn 3+ redox pair has been considered as a promising cathode for high energy density batteries, due to its attractive features of high redox potential, solubility and outstanding kinetics. However, the disproportionation side reaction of Mn 3+ , which results in accumulation of “dead” MnO 2 limits its reversibility and further energy density. Herein, a novel catholyte based on mixture of Mn 2+ and Br − was proposed for flow batteries with high energy density and long cycle life. In the design, the “dead” MnO 2 can be fully discharged via Br − by a chemical‐electrochemical reaction. Coupled with Cd/Cd 2+ as anode, the assembled Bromine‐Manganese flow battery (BMFB) demonstrates a high energy efficiency of 76 % at 80 mA cm −2 with energy density of 360 Wh L −1 . The battery assembled with silicotungstic acid as anode could continuously run for over 2000 cycles at 80 mA cm −2 . With high power density, energy density and durability, the BMFB shows great potential for large‐scale energy storage.

Chemistry↗
DOE OSTI2019

Enhancing thermochemical energy storage density of magnesium‐manganese oxides

Abstract Three approaches for enhancing the energy density of magnesium‐manganese oxide porous reactive materials for thermochemical energy storage (TCES) are investigated: adjusting the mole ratio, lowering the oxygen partial pressure during thermal reduction, and transition metal oxide doping. The manganese‐to‐magnesium molar ratios are varied to determine the composition yielding maximal energy density. The increase in energy density by lowering the oxygen partial pressure during the reduction step is also studied. Volumetric oxygen exchange capacities are measured for every case considered. Finally, the effects of doping magnesium‐manganese oxide with cobalt oxide, iron oxide, zinc oxide, and nickel oxide on the TCES properties are examined. We found the optimal Mn/Mg ratio for maximum volumetric energy density is in the vicinity of 1/1, achieving 1813 ± 175, 2178 ± 204, and 2323 ± 281 MJ m −3 for oxygen partial pressures of 0.2, 0.05, and 0.01 atm during thermal reduction, respectively; lowering the oxygen partial pressure below atmospheric during thermal reduction enhances oxygen exchange capacities and improves the energy density between 10%‐42% and 24%‐55% for oxygen partial pressures of 0.05 and 0.01 atm, respectively, with the greatest increases observed for high manganese content samples; and, doped samples exhibit reduced oxygen exchange and questionable reactive stability, thus appearing to reduce energy density.

King, Keith↗
DOE OSTI2019

Coupling constant corrections in a holographic model of heavy ion collisions with nonzero baryon number density

Sufficiently energetic collisions of heavy ions result in the formation of a droplet of a strongly coupled liquid state of QCD matter known as quark-gluon plasma. By using gauge-gravity duality (holography), a model of a rapidly hydrodynamizing and thermal- izing process like this can be constructed by colliding sheets of energy density moving at the speed of light and tracking the subsequent evolution. In this work, we consider the dual gravitational description of such collisions in the most general bulk theory with a four-derivative gravitational action containing a dynamical metric and a gauge field in five dimensions. Introducing the bulk gauge field enables the analysis of collisions of sheets which carry nonzero “baryon” number density in addition to energy density. Introducing the four-derivative terms enables consideration of such collisions in a gauge theory with finite gauge coupling, working perturbatively in the inverse coupling. While the dynamics of energy and momentum in the presence of perturbative inverse-coupling corrections has been analyzed previously, here we are able to determine the effect of such finite coupling corrections on the dynamics of the density of a conserved global charge, which we take as a model for the dynamics of nonzero baryon number density. In accordance with expectations, as the coupling is reduced we observe that after the collisions less baryon density ends up stopped at mid-rapidity and more of it ends up moving near the lightcone.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Uncertainty-based weighted least squares density integration for background-oriented schlieren

We propose an improved density integration methodology for Background-Oriented Schlieren (BOS) measurements that overcomes the noise sensitivity of the commonly used Poisson solver. Here, the method employs a weighted least-squares (WLS) optimization of the 2D integration of the density gradient field by solving an over-determined system of equations. Weights are assigned to the grid points based on density gradient uncertainties to ensure that a less reliable measurement point has less effect on the integration procedure. Synthetic image analysis with a Gaussian density field shows that WLS constrains the propagation of random error and reduces it by 80% in comparison to Poisson for the highest noise level. Using WLS with experimental BOS measurements of flow induced by a spark plasma discharge shows a 30% reduction in density uncertainty in comparison to Poisson, thereby increasing the overall precision of the BOS density measurements.

42 ENGINEERING↗
DOE OSTI2018

Exploring Hyperon Structure with Electromagnetic Transverse Densities

Here, we explore the structure of the spin-1/2 flavor-octet baryons (hyperons) through their electromagnetic transverse densities. The transverse densities describe the distribution of charge and magnetization at fixed light-front time and enable a spatial representation of the baryons as relativistic systems. At peripheral distances b~1/M π the transverse densities are computed using a new method that combines chiral effective field theory (χEFT) and dispersion analysis. The peripheral isovector densities arise from two-pion exchange, which includes the ρ resonance through elastic unitarity. The isoscalar densities are estimated from vector meson exchange (ω,Φ). We find that the “pion cloud” in the charged Σ hyperons is comparable to the nucleon, while in the Ξ it is suppressed. The Λ–Σ 0 transition density is pure isovector and represents a clear manifestation of peripheral two-pion dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Investigation of the shear response and geometrically necessary dislocation densities in shear localization in high-purity titanium

The influence of microstructural anisotropy on shear response of high-purity titanium was studied using the compact forced-simple-shear specimen (CFSS) loaded under quasi-static loading conditions. Post-mortem characterization reveals significant difference in shear response of different directions in the same material due to material crystallographic texture anisotropy. Shear bands are narrower in specimens in which the shear zone is aligned along the direction with a strong {0001} basal texture. Twinning was identified as an active mechanism to accommodate strains in the shear region in both orientations. This paper confirms the applicability of the CFSS design for the investigation of differences in the shear response of materials as a function of process-induced crystallographic texture. A detailed, systematic approach to quantifying shear band evolution by evaluating geometrically necessary dislocations (GND) associated with crystallographic anisotropy is presented. Finally, the results show that: i) line average GND density profiles, for Ti samples that possess a uniform equiaxed-grain structure, but with strong crystallographic anisotropy, exhibit significant differences in GND density close to the shear band center; ii) GND profiles decrease steadily away from the shear band as the plastic strain diminishes, in agreement with Ashby's theory of work hardening, where the higher GND density in the through-thickness (TT) orientation is a result of restricted < a > type slip in the shear band compared with in-plane (IP) samples; iii) the anisotropy in deformation response is derived from initial crystallographic texture of the materials, where GND density of < a > GNDs are higher adjacent to the shear band in the through-thickness sample oriented away from easy slip, but the density of < c+a > type GNDs are very similar in these two samples; and iv) the increase in grain average GND density was determined to have strong correlation to an increase in the Euler Φ angle of the grain average orientation, indicating an increased misorientation angle evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The effect of finish rolling temperature and tempering on the microstructure, mechanical properties and dislocation density of direct-quenched steel

Highlights: • The effect of thermomechanical treatment and tempering on direct-quenched steel has been studied. • Dislocation density of direct-quenched and tempered martensite is evaluated using both TEM and Williamson-Hall method. • Statistical analysis has been performed to study the effect of different factors on toughness of direct-quenched martensite. - Abstract: A unique batch tempering treatment for industrial scale direct-quenched steel coils has been studied using laboratory simulations. The tempering treatment was non-isothermal with slow heating to 570 °C and slow cooling to simulate the tempering of large steel coils. The paper presents the effect of finishing rolling temperature (FRT) relative to the non-recrystallization temperature (T{sub NR}) and the effect of long time tempering on the microstructure, dislocation density and mechanical properties of direct-quenched coiled strips. Conditioning austenite below the recrystallization stop temperature resulted in a finer effective grain size distribution, which correlated strongly with the impact toughness of the final product. Furthermore low finish rolling temperature resulted in partially ferritic microstructures while higher finishing rolling temperatures led to mixtures of bainite and martensite. Dislocation densities determined with TEM and XRD showed somewhat different trends regarding the effect of tempering: intra-lath dislocation density, as measured with TEM, showed a statistically significant drop in only one case, while XRD analysis indicated a drop in all cases. Furthermore, no significant correlation between finishing rolling temperature and dislocation density existed in XRD studies. The XRD results indicate that the decrease in dislocation density corresponds to about 100 MPa lower dislocation strengthening. However, precipitation hardening and potential internal micro stress relief compensates this as yield strength remains unchanged or even increases during tempering.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Density scaling approximation for Monte-Carlo simulations of radioactive plumes

The release of radioactive gas into the atmosphere can diffuse into large volumes of air downwind from the point of release. The extent of radioactivity can cover thousands of cubic meters of air. For such large volumes, the weather models used to predict the down-wind distribution of the plume and the radiation transport models used to predict the radiation reaching ground-level from the plume can take tens of hours of computer time on multi-node institutional High-Performance Computing facilities. In this paper we focus on the radiation transport aspect of plume modeling. Here, we describe a phenomenological method for approximating the amounts of radiation that reach ground level from large volumes of a static radioactive plume that can be calculated on a stand-alone personal computer in much shorter computation times than those usually needed for such large volume evaluations. We refer to this method as the Density Scaling Approximation (DSA). Its ability to approximate ground-level count rates of large plumes comes from using a small-plume volume with a scaled-up value of air density to simulate the same number of scatterings that occur during transport in larger plume volumes at normal air density. We demonstrate the DSA by using a 100 m-diameter air-filled hemispherical dome geometry with a uniform volumetric activity of 135 Xe gas throughout the air-filled volume. The DSA for a larger dome diameter is obtained by evaluating the 100 m dome with an air density scaled up by the linear ratio of the larger diameter to the 100 m diameter. We find that this approximation works well for dome diameters up to 1200 m – the largest diameter studied and a size more than sufficient for accounting for all the radiation from 135 Xe. Moreover, most of our DSA results can be calculated over 500 times faster than corresponding full-sized geometry with normal air density. To help evaluate the accuracy of the DSA and gain insight into how well it can reproduce different regions of the spectra, we use three, easily understood regions of interest to compare the DSA results to the full-sized geometry at normal air density results. These regions are the full-energy peak, the region of single-Compton scattering, and the region of multiple-Compton scattering. We show how the dominance of the Compton scattering mechanism determines this division and thus provides insight into how Compton scattering is manifested in spectra from photon scattering through air in general, and how well the DSA approximation works.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Density effects on post-shock turbulence structure and dynamics

Turbulence structure resulting from multi-fluid or multi-species, variable-density isotropic turbulence interaction with a Mach 2 shock is studied using turbulence-resolving shock-capturing simulations and Eulerian (grid) and Lagrangian (particle) methods. The complex roles that density plays in the modification of turbulence by the shock wave are identified. Statistical analyses of the velocity gradient tensor (VGT) show that density variations significantly change the turbulence structure and flow topology. Specifically, a stronger symmetrization of the joint probability density function (PDF) of second and third invariants of the anisotropic VGT, PDF $(Q^{\ast },R^{\ast })$ , as well as the PDF of the vortex stretching contribution to the enstrophy equation, are observed in the multi-species case. Furthermore, subsequent to the interaction with the shock, turbulent statistics also acquire a differential distribution in regions having different densities. This results in a nearly symmetric PDF $(Q^{\ast },R^{\ast })$ in heavy-fluid regions, while the light-fluid regions retain the characteristic tear-drop shape. To understand this behaviour and the return to ‘standard’ turbulence structure as the flow evolves away from the shock, Lagrangian dynamics of the VGT and its invariants is studied by considering particle residence times and conditional particle variables in different flow regions. The pressure Hessian contributions to the VGT invariants transport equations are shown to be not only affected by the shock wave, but also by the density in the multi-fluid case, making them critically important to the flow dynamics and turbulence structure.

42 ENGINEERING↗
DOE OSTI2024

Determining the N -Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body reduced density matrix (p-RDM). The knowledge of all necessary and sufficient conditions for a p-body matrix to be N-representable allows the constrained minimization of a many-body Hamiltonian expectation value with respect to the p-body density matrix and, thus, the determination of its exact ground state. However, the number of constraints that complete the N-representability conditions grows exponentially with system size, and hence, the procedure quickly becomes intractable for practical applications. This work introduces a hybrid quantum-stochastic algorithm to effectively replace the N-representability conditions. The algorithm consists of applying to an initial N-body density matrix a sequence of unitary evolution operators constructed from a stochastic process that successively approaches the reduced state of the density matrix on a p-body subsystem, represented by a p-RDM, to a target p-body matrix, potentially a p-RDM. The generators of the evolution operators follow the well-known adaptive derivative-assembled pseudo-Trotter method (ADAPT), while the stochastic component is implemented by using a simulated annealing process. The resulting algorithm is independent of any underlying Hamiltonian, and it can be used to decide whether a given p-body matrix is N-representable, establishing a criterion to determine its quality and correcting it. We apply the proposed hybrid ADAPT algorithm to alleged reduced density matrices from a quantum chemistry electronic Hamiltonian, from the reduced Bardeen–Cooper–Schrieffer model with constant pairing, and from the Heisenberg XXZ spin model. In all cases, the proposed method behaves as expected for 1-RDMs and 2-RDMs, evolving the initial matrices toward different targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗