Search NASA⌕ Search

SEARCH · Search NASA

Results for “Dynamic Density”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Verification and Validation Testing of the Parachute Decelerator System Prior to the First Supersonic Flight Dynamics Test for the Low Density Supersonic Decelerator Program

The Parachute Decelerator System (PDS) is comprised of all components associated with the supersonic parachute and its associated deployment. During the Supersonic Flight Dynamics Test (SFDT), for the Low Density Supersonic Decelerators Program, the PDS was required to deploy the supersonic parachute in a defined fashion. The PDS hardware includes three major subsystems that must function together. The first subsystem is the Parachute Deployment Device (PDD), which acts as a modified pilot deployment system. It is comprised of a pyrotechnic mortar, a Kevlar ballute, a lanyard actuated pyrotechnic inflation aid, and rigging with its associated thermal protection material (TPS). The second subsystem is the supersonic parachute deployment hardware. This includes all of the parachute specific rigging that includes the parachute stowage can and the rigging including TPS and bridle stiffeners for bridle management during deployment. The third subsystem is the Supersonic Parachute itself, which includes the main parachute and deployment bags. This paper summarizes the verification and validation of the deployment process, from the initialization of the PDS system through parachute bag strip that was done prior to the first SFDT.

Gallon, John C.↗
DOE OSTI2023

Dynamic Structure of Magnetized High Energy Density Plasmas (Final Report)

This report summarizes results of project DE-SC0022202 ``Dynamic Structure of Magnetized High Energy Density Plasmas,'' which was originally funded for the period 08/01/2021 - 7/31/2022, but was no-cost extended to 7/31/2023. The primary objectives of the work, as stated in the original proposal, were ``develop a theory to describe a novel state of magnetized high energy density plasmas, benchmark the theory using first-principles molecular dynamics simulations, and apply the results to develop a means to interpret x-ray scattering measurements in future experiments.'' These were the goals of the original project proposal, which was for a 3 year project. The project was ultimately funded for 1 year, and so the work completed focused on the goals described for only the first year of the proposed work. This included further developing a kinetic theory for strongly magnetized plasmas, applying it to compute fluid-scale (MHD) transport coefficients, and to test the predictions using molecular dynamics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Extended Lagrangian Born–Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models

We report extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) is formulated for orbital-free Hohenberg–Kohn density-functional theory and for charge equilibration and polarizable force-field models that can be derived from the same orbital-free framework. The purpose is to introduce the most recent features of orbital-based XL-BOMD to molecular dynamics simulations based on charge equilibration and polarizable force-field models. These features include a metric tensor generalization of the extended harmonic potential, preconditioners, and the ability to use only a single Coulomb summation to determine the fully equilibrated charges and the interatomic forces in each time step for the shadow Born–Oppenheimer potential energy surface. The orbital-free formulation has a charge-dependent, short-range energy term that is separate from long-range Coulomb interactions. This enables local parameterizations of the short-range energy term, while the long-range electrostatic interactions can be treated separately. The theory is illustrated for molecular dynamics simulations of an atomistic system described by a charge equilibration model with periodic boundary conditions. The system of linear equations that determines the equilibrated charges and the forces is diagonal, and only a single Ewald summation is needed in each time step. The simulations exhibit the same features in accuracy, convergence, and stability as are expected from orbital-based XL-BOMD.

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

Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties

X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the most accurate available ab initio methods for modeling XRTS spectra, as well as a host of other dynamic material properties. However, strong thermal excitations, along with the need to account for variations in temperature and density as well as the finite size of the detector significantly increase the computational cost of TDDFT simulations compared to ambient conditions. In this work, we present a broadly applicable method for optimizing and enhancing the efficiency of TDDFT calculations. Our approach is based on a one-to-one mapping between the dynamic structure factor and the imaginary time density–density correlation function, which naturally emerges in Feynman’s path integral formulation of quantum many-body theory. Specifically, we combine rigorous convergence tests in the imaginary time domain with a constraints-based attenuation of narrow-band fluctuations to improve the efficiency of TDDFT modeling without the introduction of any significant bias. As a result, we can report a speed-up by up to an order of magnitude, thus substantially reducing the burden of computational cost required for XRTS analysis.

Moldabekov, Zhandos A. [Helmholtz-Zentrum Dresden-↗
DOE OSTI2022

Identification of efficient and stable solid-solid electrochemical interfaces for Li-S batteries. Final Report

The objective of this work is to develop a better understanding of the interactions between battery components that drive the observed battery performance. Using computational tools at the atomistic level, we elucidate molecular, crystal, and amorphous structures, interfacial structures and reactions, and electrochemical behavior. We focus on Li metal anodes, liquid electrolytes, solid electrolytes, S cathodes, and metal-oxide cathodes, and their corresponding interfaces. Within liquid electrolytes, we study their bulk structure and dynamics, as a function of salt concentration. The analysis allows to understand the formation of localized high concentrated regions as the solvent is substituted by a weakly interacting diluent species. Analysis of the electron distribution yields the reactive behavior at interfaces. Moreover, we employ tools that allow the characterization of ion and electron transport at interfaces, during the processes of solvation and desolvation occurring while cycling. For Sulfur cathodes we elucidate synthesis processes and the role of carbon-sulfur and nitrogen-sulfur interactions not only to provide electronic conductivity but also to define alternative reaction pathways during discharge of Li-S batteries. Full-cell simulations offer new insights regarding the integration of all the battery components. Our studies also include solid electrolytes and their interfaces with Li metal, S-C, and metal-oxide electrodes.

25 ENERGY STORAGE↗
DOE OSTI2024

Orbital-selective time-domain signature of nematicity dynamics in the charge-density-wave phase of La 1.65 Eu 0.2 Sr 0.15 CuO 4

Understanding the interplay between charge, nematic, and structural ordering tendencies in cuprate superconductors is critical to unraveling their complex phase diagram. Using pump–probe time-resolved resonant X-ray scattering on the (0 0 1) Bragg peak at the Cu L 3 and O K resonances, we investigate nonequilibrium dynamics of Q a = Q b = 0 nematic order and its association with both charge density wave (CDW) order and lattice dynamics in La 1.65 Eu 0.2 Sr 0.15 CuO 4 . The orbital selectivity of the resonant X-ray scattering cross-section allows nematicity dynamics associated with the planar O 2 p and Cu 3 d states to be distinguished from the response of anisotropic lattice distortions. A direct time-domain comparison of CDW translational-symmetry breaking and nematic rotational-symmetry breaking reveals that these broken symmetries remain closely linked in the photoexcited state, consistent with the stability of CDW topological defects in the investigated pump fluence regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Probability Density Function Control for Stochastic Nonlinear Systems using Monte Carlo Simulation

This paper presents a fast implementation framework of output probability density function (PDF) control for a class of stochastic nonlinear systems which are subjected to non-Gaussian noises. The statistical properties of the system outputs can be adjusted by shaping the dynamic output probability density function to track the reference stochastic distribution. However, the dynamic probability density function evolution is very difficult to obtain analytically even if the system model and the stochastic distributions of the noises are known. Motivated by Monte Carlo simulation, the dynamic probability density function can be estimated by sampling data which forms the contribution of this paper. In particular, the sampling points are generated following the stochastic distribution of the noise for each instant. These points go through the system would generate the histogram for system outputs, then the dynamic model can be established based on the dynamic histogram which reflects the randomness and the nonlinear dynamics of the investigated system. Based on the established model, the output probability density function tracking can be achieved and the simulation results and discussions show the effectiveness and benefits of the presented framework.

Zhang, Qichun↗
DOE OSTI2021

Confinement effects on the solvation structure of solvated alkaline metal cations in a single-digit 1T-MoS 2 nanochannel: A first-principles study

Confinement plays an important role in determining ion transport in porous materials, which, in turn, may influence the performance of many energy storage and desalination devices. In this work, we combined density functional theory (DFT) with an implicit solvation model and ab initio molecular dynamics (AIMD) to investigate the effects of nanoconfinement on several solvated alkaline metal cations in a single-digit 1T-MoS 2 nanochannel. Our DFT calculations with a solvation model indicated that cations with stronger hydration energy introduce a higher number of co-intercalated water molecules into the channel, consistent with early experimental observation obtained for MXene (2D transition metal carbide) channels. The predicted optimal water numbers for the cations were then used for AIMD simulations that explicitly include the effects of the solvent. When compared with the cations in bulk solution, our simulations showed that the hydration structure and coordination number (CN) of the solvated cations confined in the MoS 2 channel can be significantly altered. Further, we found that larger cations with weaker hydration energy (K + , Rb + , and Cs + ) exhibited a distinctive CN decrease under confinement, while smaller cations (Li + and Na + ) retained a similar hydration shell as in the bulk solution. More specifically, the hydration shell of large cations (K + , Rb + , and Cs + ) in MoS 2 showed similar features of the coordination angle to the bulk, which suggests the partially broken hydration shell with no geometry change under confinement. Our simulations provided insights into the change of the hydration structure of alkaline metal cations under confinement, which may have important implications on their transport in the 1T-MoS 2 channel.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reversible to irreversible transitions for cyclically driven particles on periodic obstacle arrays

Here, we examine the collective dynamics of disks moving through a square array of obstacles under cyclic square wave driving. Below a critical density, we find that the system organizes into a reversible state in which the disks return to the same positions at the end of every drive cycle. Above this density, the dynamics are irreversible and the disks do not return to the same positions after each cycle. The critical density depends strongly on the angle θ between the driving direction and a symmetry axis of the obstacle array, with the highest critical densities appearing at commensurate angles such as θ = 0° and θ = 45° and the lowest critical densities falling at θ = arctan (0.618), the inverse of the golden ratio, where the flow is the most degenerate. As the density increases, the number of cycles required to reach a reversible state grows as a power law with an exponent near ν = 1.36, similar to what is found in periodically driven colloidal and superconducting vortex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Numerical and experimental studies of particle flow in a high-pressure boundary-layer wind tunnel

The approach was to simulate the surface environment of Venus as closely as practicable and to conduct experiments to determine threshold wind speeds, particle flux, particle velocities, and the characteristics of various aeolian bedforms. The Venus Wind Tunnel (VWT) is described and the experimental procedures that were developed to make the high-pressure wind tunnel measurements are presented. In terrestrial simulations of aeolian activity, it is possible to conduct experiments under pressures and temperatures found in natural environments. Because of the high pressures and temperatures, Venusian simulations are difficult to achieve in this regard. Consequently, extrapolation of results to Venue potentially involves unknown factors. The experimental rationale was developed in the following way: The VWT enables the density of the Venusian atmosphere to be reproduced. Density is the principal atmospheric property for governing saltation threshold, particle flux, and the ballistics of airborne particles (equivalent density maintains dynamic similarity of gas flow). When operated at or near Earth's ambient temperature, VWT achieves Venusian atmospheric density at pressures of about 30 bar, or about one third less than those on Venus, although still maintaining dynamic similarity to Venus.

White, B. R.↗
DOE OSTI2025

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling

This project focussed on two aspects of computational modeling with a view toward application for photovoltaic design: (i) increased reliability of exchange-correlation functionals in time-dependent density functional theory (TDDFT) (a method of choice of the calculation of electronic spectra and dynamics), especially for time-resolved non-perturbative dynamics, and (ii) the development of a practical but rigorously-based method for coupling electronic and nuclear motion via the exact-factorization (EF) approach (a relatively new framework for developing approximations).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

The satellites of Uranus

Observations and the probable natures of the five known satellites of Uranus are reviewed. Photographic, photoelectric and CCD photometry of the satellites since 1961, although in agreement within experimental error, is not as mutually consistent as may be expected, and broadband JHK photometry falls in a portion of the J-H, H-K color diagram difficult to interpret. Spectrophotometry in the range 0.3-1.1 microns taken on two separate occasions is inconsistent, with only the relatively neutral reflectances of Titania and Oberon regarded as well established. Near-infrared spectrophotometry has revealed the presence of water ice or frost on the satellite surfaces, possibly in a very pure state, with spectra most similar to Ganymede. Estimations of the properties of the satellites from their surface geometric albedos, assumed mean densities and dynamics yield radii in the range 160-520 km, albedos on the order of 0.5 and densities of about 1.3 g/cu cm, similar to the icy Saturn satellites. The satellites are also believed to have formed after the event that caused the planet to tilt to its present obliquity.

Cruikshank, D. P.↗
NASA NTRS2015

Aerodynamic Models for the Low Density Supersonic Declerator (LDSD) Supersonic Flight Dynamics Test (SFDT)

An overview of pre-flight aerodynamic models for the Low Density Supersonic Decelerator (LDSD) Supersonic Flight Dynamics Test (SFDT) campaign is presented, with comparisons to reconstructed flight data and discussion of model updates. The SFDT campaign objective is to test Supersonic Inflatable Aerodynamic Decelerator (SIAD) and large supersonic parachute technologies at high altitude Earth conditions relevant to entry, descent, and landing (EDL) at Mars. Nominal SIAD test conditions are attained by lifting a test vehicle (TV) to 36 km altitude with a large helium balloon, then accelerating the TV to Mach 4 and and 53 km altitude with a solid rocket motor. The first flight test (SFDT-1) delivered a 6 meter diameter robotic mission class decelerator (SIAD-R) to several seconds of flight on June 28, 2014, and was successful in demonstrating the SFDT flight system concept and SIAD-R. The trajectory was off-nominal, however, lofting to over 8 km higher than predicted in flight simulations. Comparisons between reconstructed flight data and aerodynamic models show that SIAD-R aerodynamic performance was in good agreement with pre-flight predictions. Similar comparisons of powered ascent phase aerodynamics show that the pre-flight model overpredicted TV pitch stability, leading to underprediction of trajectory peak altitude. Comparisons between pre-flight aerodynamic models and reconstructed flight data are shown, and changes to aerodynamic models using improved fidelity and knowledge gained from SFDT-1 are discussed.

Van Norman, John W.↗
DOE OSTI2021

Alignment of the magnetic field in star-forming regions and why it might be difficult to observe

ABSTRACT Magnetic fields are an important component of the interstellar medium (ISM) and exhibit strongly varying field strengths and a non-trivial correlation with the gas density. Its dynamical impact varies between individual regions of the ISM and correlates with the orientation of the field with respect to the gas structures. Using high-resolution magneto-hydrodynamical simulations of the ISM, we explore the connection between the orientation of the field and the dynamical state of the gas. We find that the onset of gravitational instability in molecular gas above a density of $\rho \sim 10^{-21}\, \mathrm{g\, cm}^{-3}$$(n\sim 400\, \mathrm{cm}^{-3})$ coincides with an alignment of the magnetic field lines and the gas flow. At this transition, the gradient of the density changes from mainly perpendicular to preferentially parallel to the field lines. A connection between the three-dimensional alignment and projected two-dimensional observables is non-trivial, because of a large dispersion of the magnetic field orientation along the line of sight. The turbulent correlation lengths can be small compared to the typical integration lengths. As a consequence, the small-scale signal of the orientation can sensitively depend on the line of sight or the dynamical state of the cloud can fluctuate stochastically or be completely averaged out. With higher spatial resolution more small-scale structures are resolved, which aggravates the link between magneto-hydrodynamical quantities and projected observables.

Girichidis, Philipp (ORCID:0000000293009914)↗
NASA NTRS1971

The estimation of the constituent densities of the upper atmosphere by means of a recursive filtering algorithm.

The structure of the upper atmosphere can be indirectly probed by light in order to determine the global density structure of ozone, aerosols, and neutral atmosphere. Scattered and directly transmitted light is measured by a satellite and is shown to be a nonlinear function of the state which is defined to be a point-wise decomposition of the density profiles. Dynamics are imposed on the state vector and a structured estimation problem is developed. The estimation of these densities is then performed using a linearized Kalman-Bucy filter and a linearized Kushner-Stratonovich filter.

Mcgarty, T. P.↗
NASA NTRS1975

Effect of weightlessness on mineral saturation of bone tissue

X-ray photometry of bone density established dynamic changes in mineral saturation of bone tissues for Soyuz spacecraft and Salyut orbital station crews. Calcaneus optical bone densities in all crew members fell below initial values; an increase in spacecrew exposure time to weightlessness conditions also increased the degree of decalcification. Demineralization under weightlessness conditions took place at a higher rate than under hypodynamia.

Krasnykh, I. G.↗
NASA NTRS1993

Performance of ceramic superconductors in magnetic bearings

Magnetic bearings are large-scale applications of magnet technology, quite similar in certain ways to synchronous machinery. They require substantial flux density over relatively large volumes of space. Large flux density is required to have satisfactory force density. Satisfactory dynamic response requires that magnetic circuit permeances not be too large, implying large air gaps. Superconductors, which offer large magnetomotive forces and high flux density in low permeance circuits, appear to be desirable in these situations. Flux densities substantially in excess of those possible with iron can be produced, and no ferromagnetic material is required. Thus the inductance of active coils can be made low, indicating good dynamic response of the bearing system. The principal difficulty in using superconductors is, of course, the deep cryogenic temperatures at which they must operate. Because of the difficulties in working with liquid helium, the possibility of superconductors which can be operated in liquid nitrogen is thought to extend the number and range of applications of superconductivity. Critical temperatures of about 98 degrees Kelvin were demonstrated in a class of materials which are, in fact, ceramics. Quite a bit of public attention was attracted to these new materials. There is a difficulty with the ceramic superconducting materials which were developed to date. Current densities sufficient for use in large-scale applications have not been demonstrated. In order to be useful, superconductors must be capable of carrying substantial currents in the presence of large magnetic fields. The possible use of ceramic superconductors in magnetic bearings is investigated and discussed and requirements that must be achieved by superconductors operating at liquid nitrogen temperatures to make their use comparable with niobium-titanium superconductors operating at liquid helium temperatures are identified.

Kirtley, James L., Jr.↗