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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.

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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Imaging Wavepackets in Real-Space & Disentangling Ultrafast Solvation Dynamics with High-Energy Ultrafast X-ray Scattering

The microscopic information of solute and solute-solvent motions can be measured using ultrafast diffuse x-ray scattering, and compared to molecular dynamics simulations, as demonstrated in studies of solvated molecular systems done in X-ray free-electron lasers. However, for the typical photon energies used in these experiments, the photon momentum transfer range was limited to lower Q values where the signals arising from different parts of the studied system overlap significantly. Recently, this limitation was greatly alleviated by extending the photon energy at the Linac Coherent Light-Source (LCLS), significantly increasing the accessible momentum transfer range. This improvement is transformative for ultrafast diffuse x-ray scattering measurements, enabling for the first time to disentangle the solute scattering difference signal, that persists to higher Q values, from the bulk solvent and solute-solvent cross-terms difference signals. In addition, it enhances the prediction ability of modeling and simulation methods such as the hybrid QM/MM approach. The extended Q range also opens the way to resolve in real-space details regarding coherent wavepackets motions beyond their center-of-mass positions. Here, we present the first results on high-energy (18keV) diffuse x-ray scattering in solution, demonstrating high fidelity time-resolved scattering and analysis of the photoexcited model photocatalysts PtPOP ([Pt2(POP)4]4-), and IrDimen ([Ir2(dimen)4]2+) in several solvents. These complexes provide ideal systems for demonstrating the ability of high-Q ultrafast scattering and QM/MM simulations to decompose ultrafast solvation dynamics into specific changes in the solute-solvent pair distribution function with a particular focus on how electronically excited states change the interaction between the solvent and photo-catalytically active metal sites. We introduce an approach to further utilize the high-energy capability and demonstrate a single-shot ultra-wide-angle X-ray Scattering modality using two perpendicular detectors, spanning a scattering angle range of more than 100 degrees, allowing to extend the accessible momentum transfer range up to Q~14 Å-1. We develop a model-free method to invert the x-ray scattering signals and enable the recovery of multiple pair-density motions that happen simultaneously, allowing us to directly measure in real-space nuclear wavepacket motions. . [1] Natan, Adi. "Real-Space Inversion and Super-Resolution of Ultrafast X-ray Scattering using Natural Scattering Kernels." arXiv preprint arXiv:2107.05576 (2021)

Natan, Adi↗

NASA NTRS1971

High-impact dynamic-response analysis of nonlinear structures

Program predicts expected deformations and stresses in nonlinear simple geometric structures subjected to high-impact loading. Technique is based on node-wise predictor-corrector approach and requires moderate computer storage and run time for most problems. Program extends to include physical and geometrical nonlinearities.

Gupta, K. K.↗

DOE OSTI2025

Nanoscale Magnetic Ordering Dynamics in a High Curie Temperature Ferromagnet

Thermally driven transitions between ferromagnetic and paramagnetic phases are characterized by critical behavior with divergent susceptibilities, long-range correlations, and spin dynamics that can span kHz to GHz scales as the material approaches the critical temperature T c , but it has proven technically challenging to probe the relevant length and time scales with most conventional measurement techniques. In this study, we employ scanning nitrogen-vacancy center based magnetometry and relaxometry to reveal the critical behavior of a high-T c ferromagnetic oxide near its Curie temperature. Cluster analysis of the measured temperature-dependent nanoscale magnetic textures points to a 3D universality class with a correlation length that diverges near T c . Meanwhile, the temperature-dependent spin dynamics, measured through all optical relaxometry suggest that the phase transition is in the XY universality class. In conclusion, our results capture both static and dynamic aspects of critical behavior, providing insights into universal properties that govern phase transitions in magnetic materials.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Flight dynamics research for highly agile aircraft

This paper highlights recent results of research conducted at the NASA Langley Research Center as part of a broad flight dynamics program aimed at developing technology that will enable future combat aircraft to achieve greatly enhanced agility capability at subsonic combat conditions. Studies of advanced control concepts encompassing both propulsive and aerodynamic approaches are reviewed. Dynamic stall phenomena and their potential impact on maneuvering performance and stability are summarized. Finally, issues of mathematical modeling of complex aerodynamics occurring during rapid, large amplitude maneuvers are discussed.

Nguyen, Luat T.↗

NASA NTRS2003

Fluid Dynamics of a High Aspect-Ratio Jet

Circulation control wings are a type of pneumatic high-lift device that have been extensively researched as to their aerodynamic benefits. However, there has been little research into the possible airframe noise reduction benefits of a circulation control wing. The key element of noise is the jet noise associated with the jet sheet emitted from the blowing slot. High aspect-ratio jet acoustic results (aspect-ratios from 100 to 3,000) from a related study showed that the jet noise of this type of jet was proportional to the slot height to the 3/2 power and slot width to the 1/2 power. Fluid dynamic experiments were performed in the present study on the high aspect-ratio nozzle to gain understanding of the flow characteristics in an effort to relate the acoustic results to flow parameters. Single hot-wire experiments indicated that the jet exhaust from the high aspect-ratio nozzle was similar to a 2-d turbulent jet. Two-wire space-correlation measurements were performed to attempt to find a relationship between the slot height of the jet and the length-scale of the flow noise generating turbulence structure. The turbulent eddy convection velocity was also calculated, and was found to vary with the local centerline velocity, and also as a function of the frequency of the eddy.

Munro, Scott E.↗

DOE OSTI2021

Quantifying the role of moss in terrestrial ecosystem carbon dynamics in northern high latitudes

Mosses are ubiquitous in northern terrestrial ecosystems, and play an important role in regional carbon, water and energy cycling. Current global land surface models that do not consider mosses may bias the quantification of regional carbon dynamics. Here we incorporate mosses as a new plant functional type into the process-based Terrestrial Ecosystem Model (TEM 5.0), to develop a new model (TEM_Moss). The new model explicitly quantifies the interactions between vascular plants and mosses and their competition for energy, water, and nutrients. Compared to the estimates using TEM 5.0, the new model estimates that the regional terrestrial soils currently store 132.7 Pg more C and will store 157.5 and 179.1 Pg more C under the RCP8.5 and RCP2.6 scenarios, respectively, by the end of the 21st century. Ensemble regional simulations forced with different parameters for the 21st century with TEM_Moss predict that the region will accumulate 161.1±142.1 Pg C under the RCP2.6 scenario and 186.7±166.1 Pg C under the RCP8.5 scenario over the century. Our study highlights the necessity of coupling moss into Earth system models to adequately quantify terrestrial carbon–climate feedbacks in the Arctic.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Quantification of Sub-Pixel Dynamics in High-Speed Neutron Imaging

The high penetration depth of neutrons through many metals and other common materials makes neutron imaging an attractive method for non-destructively probing the internal structure and dynamics of objects or systems that may not be accessible by conventional means, such as X-ray or optical imaging. While neutron imaging has been demonstrated to achieve a spatial resolution below 10 μm and temporal resolution below 10 μs, the relatively low flux of neutron sources and the limitations of existing neutron detectors have, until now, dictated that these cannot be achieved simultaneously, which substantially restricts the applicability of neutron imaging to many fields of research that could otherwise benefit from its unique capabilities. In this work, we present an attenuation modeling approach to the quantification of sub-pixel dynamics in cyclic ensemble neutron image sequences of an automotive gasoline direct injector at a 5 μs time scale with a spatial noise floor in the order of 5 μm.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Ultrafast nonequilibrium dynamics and high-harmonic generation in two-dimensional quantum spin Hall materials

For this work, we develop the theoretical framework of nonequilibrium ultrafast photonics in monolayer quantum spin Hall insulators supporting a multitude of topological states. In these materials, ubiquitous strong light-matter interactions in the femtosecond scale lead to nonadiabatic quantum dynamics, resulting in topology-dependent nonlinear optoelectronic transport phenomena. We investigate the mechanism driving topological Dirac fermions interacting with strong ultrashort light pulses and uncover various experimentally accessible physical quantities that encode fingerprints of the quantum material's topological electronic state from the high-harmonic generated spectrum. Our work sets the theoretical cornerstones to realize the full potential of time-resolved harmonic spectroscopy for understanding nonequilibrium processes in quantum topological systems and identifying topological invariants in two-dimensional quantum spin Hall solid state systems.

2-dimensional systems↗

NASA NTRS2021

The Dynamics of a High Mach Number Quasi-Perpendicular Shock: MMS Observations

Shock parameters at Earth’s bow shock, in rare instances, can approach the Mach numbers predicted at astrophysical shocks and supernova remnants. We present our analysis of a high Alfv ́en Mach number (MA= 27) shock, by utilizing multipoint measurements from the Magnetospheric Multiscale (MMS) spacecraft during a crossing of Earth’s quasi-perpendicular bow shock. We find that the shock dynamics are mostly driven by reflected ions, perturbations that they generate, and nonlinear amplification of the perturbations. Our analyses indicate that reflected ions create modest magnetic enhancements upstream of the shock front which evolve in a nonlinear manner as they traverse the shock foot. They can transform into proto-shocks that propagate at small angles to the magnetic field and towards the bow shock. The nonstationary bow shock shows signatures of both reformation and surface ripples. Our observations indicate that although shock reformation occurs, the main shock layer never disappears. These observations are at high plasmaβ, a parameter regime which has not been well explored by numerical models.

H Madanian↗

NASA NTRS2020

The Global Ecosystem Dynamics Investigation: High-Resolution Laser Ranging of the Earth’s Forests and Topography

Obtaining accurate and widespread measurements of the vertical structure of the Earth’s forests has been a longsought goal for the ecological community. Such observations are critical for accurately assessing the existing biomass of forests, and how changes in this biomass caused by human activities or variations in climate may impact atmospheric CO2 concentrations. Additionally, the three-dimensional structure of forests is a key component of habitat quality and biodiversity at local to regional scales. The Global Ecosystem Dynamics Investigation (GEDI) was launched to the International Space Station in late 2018 to provide high-quality measurements of forest vertical structure in temperate and tropical forests between 51.6 N & S latitude. The GEDI instrument is a geodetic-class laser altimeter/waveform lidar comprised of 3 lasers that produce 8 transects of structural information. Over its two-year nominal lifetime GEDI is anticipated to provide over 10 billion waveforms at a footprint resolution of 25 m. These data will be used to derive a variety of footprint and gridded products, including canopy height, canopy foliar profiles, Leaf Area Index (LAI), sub-canopy topography and biomass. Additionally, data from GEDI are used to demonstrate the efficacy of its measurements for prognostic ecosystem modeling, habit and biodiversity studies, and for fusion using radar and other remote sensing instruments. GEDI science and technology are unique: no other space-based mission has been created that is specifically optimized for retrieving vegetation vertical structure. As such, GEDI promises to advance our understanding of the importance of canopy vertical variations within an ecological paradigm based on structure, composition and function.

Dubayah, Ralph↗

NASA NTRS1993

Large-eddy simulation of laminar-turbulent breakdown at high speeds with dynamic subgrid-scale modeling

The laminar-turbulent breakdown of a boundary-layer flow along a hollow cylinder at Mach 4.5 is investigated with large-eddy simulation. The subgrid scales are modeled dynamically, where the model coefficients are determined from the local resolved field. The behavior of the dynamic-model coefficients is investigated through both an a priori test with direct numerical simulation data for the same case and a complete large-eddy simulation. Both formulations proposed by Germano et al. and Lilly are used for the determination of unique coefficients for the dynamic model and their results are compared and assessed. The behavior and the energy cascade of the subgrid-scale field structure are investigated at various stages of the transition process. The investigations are able to duplicate a high-speed transition phenomenon observed in experiments and explained only recently by the direct numerical simulations of Pruett and Zang, which is the appearance of 'rope-like' waves. The nonlinear evolution and breakdown of the laminar boundary layer and the structure of the flow field during the transition process were also investigated.

El-Hady, Nabil M.↗

NASA NTRS1990

Molecular dynamics of liquid SiO2 under high pressure

The molecular dynamics of pure SiO2 liquids was investigated up to pressures of 20 GPa at 4000 K using 252, 498, 864, and 1371 particles. The results obtained suggest that the pressure-induced maxima in the self-diffusion coefficients of both oxygen and silicon are dependent on the system size. In the case of larger systems, the maximum decreases and shifts to lower pressures. Changes in the velocity autocorrelation function with increasing pressure are described. The populations of anomalously coordinated silicon and oxygen are then discussed as a function of pressure and system size.

Rustad, James R.↗

NASA NTRS1986

Measurements of the dynamics of the high-latitude thermosphere

The study of the dynamics and thermodynamics of the earth's upper atmosphere has made significant progress over the past few years owing to the availability of new global-scale data sets from the Dynamics Explorer satellites. The thermospheric wind and temperature fields at high altitude have been observed to depend strongly on forcing processes of magnetospheric origin. A key momentum source is due to the drag effect of ions convecting in response to electric fields mapped down on the ionosphere from magnetospheric boundary regions. Likewise, an important heat source derives from Joule or frictional dissipation due to ion/neutral difference velocities governed by magnetospheric forcing. In this paper the progress made over the last 2-3 years initiated by the new satellite measurements is discussed, and published data on ion and neutral motions are reviewed in the context of the energy and momentum coupling between the magnetosphere and the ionosphere/neutral upper atmosphere.

Killeen, T. L.↗

NASA NTRS1986

Dynamically supported geoid highs over hotspots: Observation and theory

Hotspots are associated with long wavelength geoid highs, an association that is even stronger when the geoid highs associated with subduction zones are removed. These associations are quantified by expanding the hotspot distribution in spherical harmonics and calculating correlation coefficients as a function of harmonic degree. The hotspot distribution spectrum is essentially white, with peaks at degrees 2 and 6. It is correlated positively with the slab residual geoid for degrees 2 to 6, with low seismic velocity in the lower mantle at degree 2, and with low seismic velocity in the upper mantle at degree 6. A variety of fluid mechanical models were tested for hotspots, including lithospheric delamination and hot plumes, by calculating their predicted dynamic geoid responses and comparing them to the observations. These models include the effects of temperature dependent rheology. The preferred hotspot model, based on observations of the geoid and seismic tomography, has plumes preferentially occurring in regions of large scale background temperature highs in a mantle with substantial viscosity increase with depth, although other models are possible.

Richards, M. A.↗

NASA NTRS1988

Dynamically supported geoid highs over hotspots - Observation and theory

Richards, Mark A.↗

NASA NTRS1992

The effects of blowing on delta wing vortices during dynamic pitching at high angles of attack

An experimental investigation was conducted in a water tunnel to identify the effects of apex blowing on two delta-wing models undergoing constant pitch-rate motion. One wing was of 60-degree sweep and the other was of 76-degree sweep. Flow visualization methods were utilized to determine vortex burst locations for a wide range of pitch-up (nose up) and plunge (nose down) rates, apex jet strengths, and blowing directions. Results indicate that blowing along the 60-degree wing vortex core or along the 76-degree wing centerline results in a notable improvement in vortex behavior under both static and dynamic conditions. The results are most dramatic during dynamic plunging (nose down) conditions, where blowing resulted in the reformation of vortices with significant length.

Miller, L. S.↗

DOE OSTI2021

Spectroscopic and Dynamical Studies of Highly Energized Small Polyatomic Molecules (End-of-Grant Report)

The aim of this research program has been to develop models for qualitative and quantitative understanding of complex processes in small molecules, such as vibronic coupling, predissociation, photodissociation, and isomerization. Simple models capture physical insights and lead to intuitive ideas that can enlighten a broad array of problems. Numerical fits can provide predictive power, but rarely impart insights into the underlying mechanisms responsible for the observed phenomena. This DOE supported program has prioritized a quantum mechanical understanding over a perfect numerical fit of spectra. Finding few-parameter models, when those parameters have physical meaning, allows the insights gained from one problem to be easily applied to related problems in other systems. The systems that have been under investigation include atmospherically relevant sulfur-containing compounds, various unimolecular dynamical processes of electronically excited acetylene, and the rovibrational dynamics of formaldehyde and SO 2 .

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Coupling solidification kinetics with phase-behavior computations in hydrodynamic simulations of high-pressure, dynamic-compression processes

In this study, we report a numerical scheme to integrate models for the kinetics of solidification processes together with phase-behavior computations in the context of continuum-scale hydrodynamic simulations. The objective of the phase-behavior computations is to determine the pressure and temperature, given the following three sets of inputs: (1) an appropriate equation of state to describe our system, (2) the phase fraction(s) produced by the kinetic models, (3) and the volume and internal energy obtained by solving the conservation equations that govern the hydrodynamic behavior. The kinetics are assumed to be governed by the Kolmogorov–Johnson–Mehl–Avrami equation, and the nucleation and growth rates that enter into that equation are functions of the pressure and temperature produced by the phase-behavior computations. Our formulation allows for the fluid and solid phases to be at different temperatures (thermal nonequilibrium) and pressures (arising from surface-tension-induced Laplace contributions). The formulation is presented in a fairly general setting that is independent of any particular material, although we demonstrate it in some examples related to high-energy-density science applications where materials are rapidly compressed to pressures exceeding several gigapascals in less than a microsecond. We conclude with a critical evaluation of our approach and provide suggestions for future work to improve the predictive capabilities and generality of the models.

42 ENGINEERING↗