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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Runaway electron beam dynamics at low plasma density in DIII-D: energy distribution, current profile, and internal instability

Parameters of the post-disruption runaway electron (RE) beam in the collisionless background plasma achieved after deuterium injection are investigated in DIII-D. The spatially resolved RE energy distribution function is measured for the first time during the RE plateau stage by inverting hard X-ray bremsstrahlung spectra. It has maximum energy up to 20 MeV and a non-monotonous feature at 5{6 MeV observed only in the core of the beam supporting the possibility of kinetic instabilities. The RE current profile is reconstructed for the first time using the spatially resolved RE energy distribution. It is found to be more peaked than the pre-disruption plasma current, with higher internal inductance, suggesting preferential formation of REs in the core plasma or potentially a radially inward motion of the REs. The accessed relatively low-current (180 kA) RE beam is found stable, likely due to its elevated q profile. From this base stable equilibrium, instability is accessed by ramping the solenoid current. Under a large applied accelerating loop voltage an internal kink mode is observed. The kink mode leads to sawtooth-like relaxation of the RE current profile, but drives no RE loss. Under conditions of a large decelerating voltage, chirping Alfvénic instabilities driven by REs during the RE plateau stage are observed for the first time. The low-frequency (0.1{7 MHz) Alfvénic instabilities, supposedly compressional Alfvén eigenmodes, are found to be correlated with a RE loss signal. Finally, this provides novel plasma conditions to study these instabilities and investigate opportunities to utilize them for RE control. Bifurcated electron cyclotron emission (ECE) spectrum is measured during the collisionless RE plateau, with a break point at ≈100 GHz suggesting resonant absorption of the ECE at low frequencies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Onset of anharmonicity and thermal conductivity in SnSe

The anharmonicity in SnSe is investigated through the analysis of moments of 119Sn nuclear resonant inelastic x-ray scattering and ab initio molecular dynamics calculations. Experimental evidences show that the anharmonic behavior started around 300 K, substantially lower than the usually suggested structural transition at 800 K. Both theory and experiments reveal substantial lifetime broadening and frequency renormalization of the optical phonons. Additionally, thermal conductivities calculated from the temporal energy moment using the Einstein diffusion equation are in good agreement with previous experiments. The abrupt increase of the thermal power near 800 K is driven by an electronic factor and not by the enhanced anharmonicity due to structural change.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

Dynamics of distribution and density of phreatophytes and other arid land plant communities

The author has identified the following significant results. Ground truth measurements of plant coverage on six satellite overflight dates reveal unique trends in coverage for the five desert or semi-desert communities selected. Densitometry and multispectral additive color viewing were used in a preliminary analysis of imagery using the electronic satellite image analyzer console at Stanford Research Institute. The densitometric analysis shows promise for mapping boundaries between plant communities. Color additive viewing of a chronologic sequence of the same scene shown in rapid order will provide a method for mapping phreatophyte communities.

Turner, R. M.↗
NASA NTRS1973

Dynamics of distribution and density of phreatophytes and other arid-land plant communities

The author has identified the following significant results. Six ERTS-1 images of the Tucson area, Arizona were analyzed to detect seasonal flushes of plant growth. Paired MSS-6 and MSS-5 bulk images were analyzed, using a ratioing technique, on the Electronic Satellite Image Analysis Console at Stanford Research Institute. Because of unique phenology, desert areas, covered only briefly by dense growths of ephemeral plants, are readily discerned. Grassland, evergreen forest, and riparian communities are also uniquely defined by their phenologies. Relatively sterile areas with little or no plant growth are easily discerned as are areas with varying degrees of plant productivity. The ratioing procedure detects plant coverage in excess of a threshold lying between 25% and 50%. The method is flexible and other coverage thresholds can be used.

Turner, R. M.↗
DOE OSTI2022

Understanding Solid-Electrolyte Interphase Formation at the Lithium Metal Anode of Lithium-Sulfur Batteries

Lithium-sulfur (Li-S) batteries are one of the most promising chemistries for the next generation of energy storage devices. In a standard Li-S cell, the metallic lithium anode is an essential component of the battery due to its low density, extremely high theoretical specific capacity, and very low negative electrochemical potential. However, several challenges related to the use of Li metal have prevented this battery technology from becoming commercially available. For instance, Li-anodes are highly reactive, which results in the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. This, combined with the non-uniform deposition of Liions during plating at the anode surface, can seriously affect the performance, cycling, and safety of the battery. In addition, it has been suggested that a controlled SEI formation at the metallic Li anode can yield enhanced battery performance. Hence, a comprehensive understanding of how the SEI layer is formed can help elucidate improvements in this battery technology. In this work, the formation of the SEI layer in Li-S batteries is investigated using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The stability of liquid organic-based electrolyte components, salt concentration, electron-rich environments, and the use of inorganic solid-state electrolyte (SSE) materials are explored in order to provide molecular-level fundamental insights into how the nature and composition of the electrolyte can alter the initial stages of the SEI formation. The products of electrolyte decomposition and electro-/chemical reaction pathways of liquid electrolyte component such as solvent and salts are predicted from AIMD simulations of electrolyte-anode interfaces. Energetics of reactions from DFT ground-state optimizations are also presented to confirm the decomposition mechanisms. Some significant differences are then drawn regarding the use of low and high salt concentrations. Simulations under electron-rich environments show additional multielectron electrochemical reactions of solvent and salt decomposition taking place due to the excess of electrons and the presence of radical anions in the solution. Finally, the initial stages of formation, stability, and main constituents of interfaces between Li-metal and Sbased electrodes with sulfide-based SSEs are characterized in detail.

25 ENERGY STORAGE↗
DOE OSTI2022

Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

Herein, we present the first implementation of multiconfiguration pair-density functional theory (MC-PDFT) ab initio molecular dynamics. MC-PDFT is a multireference electronic structure method that in many cases has a similar accuracy (or even better accuracy) the complete active space second-order perturbation theory (CASPT2) at a significantly lower computational cost. In this study, we introduced MC-PDFT analytical gradients into the SHARC molecular dynamics program for ab initio, nonadiabatic molecular dynamics simulations. We verify our implementation by examining the intersystem crossing dynamics of thioformaldehyde, and we observe excellent agreement with recent CASPT2 and experimental findings. Moreover, with MC-PDFT, we could perform dynamics simulations with the 12 electron in 10 orbitals active space that was computationally too expensive for direct dynamics with CASPT2.

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

Multi-site reaction dynamics through multi-fragment density matrix embedding

The practical description of disordered chemical reactions, where the reactions involve multiple species at multiple sites, is presently a challenge using correlated electronic structure methods due to their high computational cost and steep scaling. Here, we describe the gradient theory of multi-fragment density matrix embedding theory, which potentially provides a minimal computational framework to model such processes at the correlated electron level. We present the derivation and implementation of the gradient theory, its validation on model systems and chemical reactions using density matrix embedding, and its application to a molecular dynamics simulation of proton transport in a small water cluster, a simple example of multi-site reaction dynamics.

Chemistry↗
NASA NTRS2017

High-Latitude Thermosphere Neutral Density Response to Solar Wind Dynamic Pressure Enhancement

We examine the response of the thermosphere to the impact of solar wind dynamic pressure enhancements using observations and global magneto-hydrodynamics (MHD) simulations by the OpenGGCM model. Combining neutral density observations from the Challenging Minisatellite Payload (CHAMP) and the Gravity Recovery and Climate Experiment (GRACE) satellites with simultaneous Poynting flux measurements from the Defense Meteorological Satellite Program (DMSP) F16, we find that thermospheric density as well as downward Poynting flux intensified shortly after a sudden enhancement of the solar wind dynamic pressure. The intensification manifested mostly on the dayside high-latitude region with peak intensity in the vicinity of the noon and prenoon cusp. OpenGGCM modeling results show that the ionospheric Joule heating increased abruptly in response to the sudden enhancement of the dynamic pressure in the same region as the observed Poynting flux and neutral density enhancements. The modeling results show that the enhanced Joule heating coincides, both in time and location, with the appearance of a pair of high-latitude localized field-aligned currents (FACs) in the cusp region. The FACs intensified and extended azimuthally. Coincidental with the solar wind dynamic pressure enhancement, the y component of the interplanetary magnetic field (IMF) By became strongly positive and, in addition, had some large fluctuations. We explore the separate and combined effects of the dynamic pressure and IMF By perturbations, with specifically designed simulation experiments that isolate the effect of each solar wind parameter. We find that the dynamic pressure enhancement is the primary source for the Joule heating and neutral density enhancements, but the IMF By modulates the level of enhancement.

magneto-hydrodynamics↗