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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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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Deformation, Ecosystem Structure, and Dynamics of Ice (DESDynI)

The National Research Council Earth Science Decadal Survey, Earth Science Applications from Space, recommends that DESDynI (Deformation, Ecosystem Structure, and Dynamics of Ice), an integrated L-band InSAR and multibeam Lidar mission, launch in the 2010- 2013 timeframe. The mission will measure surface deformation for solid Earth and cryosphere objectives and vegetation structure for understanding the carbon cycle. InSAR has been used to study surface deformation of the solid Earth and cryosphere and more recently vegetation structure for estimates of biomass and ecosystem function. Lidar directly measures topography and vegetation structure and is used to estimate biomass and detect changes in surface elevation. The goal of DESDynI is to take advantage of the spatial continuity of InSAR and the precision and directness of Lidar. There are several issues related to the design of the DESDynI mission, including combining the two instruments into a single platform, optimizing the coverage and orbit for the two techniques, and carrying out the science modeling to define and maximize the scientific output of the mission.

Donnellan, Andrea↗
NASA NTRS1999

Observations of the Thermal Structure and Dynamics of the Martian Atmosphere

Information on the thermal structure of the Martian atmosphere has been obtained using several different techniques, including in situ sounding from decent probes, radio occultations and infrared thermal emission measurements from orbiters, and earth based full-disk microwave measurements. Knowledge of the 3- dimensional atmospheric temperature field and its temporal variation provides an important observational approach to the study of the dynamics of the atmosphere. Comparison of the observed thermal structure with results from a Mars General Circulation Model (MGCM) can be used to refine the model and provide greater insight into the physical processes controlling the dynamics of the atmosphere. Direct assimilation of the temperature observations into an MGCM can also be used to address similar goals. In addition, relatively simple diagnostic models can be applied to the data to directly obtain information on winds and other meteorological properties of the atmosphere. In this overview, we concentrate primarily on the structure retrieved from thermal emission measurements. Additional information is contained in the original extended abstract.

Conrath, B. J.↗
DOE OSTI2025

Structure and Dynamics of CO 2 at the Air–Water Interface from Classical and Neural Network Potentials

The accurate description of the structure and dynamics of CO 2 at the instantaneous air–water interface, along with the effects of surface fluctuations on the CO 2 -transport processes, is essential for the development of negative emission technologies aimed at minimizing climate change. In this study, we performed molecular dynamics simulations of CO 2 at the air–water interface using neural network potentials (NNPs) trained on ab initio data generated through density-functional-theory-based molecular dynamics simulations. We compared these results with classical force fields to assess their performance in modeling interfacial CO 2 behavior. Our findings revealed that the asymmetric interactions, coupled with thermal surface fluctuations at the air–water interface, significantly influence CO 2 transport into the aqueous phase. The simulations demonstrate that classical force fields underestimate both the free energy of CO 2 transport and the strength of its interactions at the interface compared with the neural network potentials. In conclusion, the free energy and the interfacial dynamics of CO 2 are primarily influenced by the distribution of water within the instantaneous interfacial water layer, responsible for creating an asymmetric intermolecular interaction environment within the interfacial region.

Ab initio molecular dynamics↗
NASA NTRS1984

Static and dynamic structural-sensitivity derivative calculations in the finite-element-based Engineering Analysis Language (EAL) system

The implementation of static and dynamic structural-sensitivity derivative calculations in a general purpose, finite-element computer program denoted the Engineering Analysis Language (EAL) System is described. Derivatives are calculated with respect to structural parameters, specifically, member sectional properties including thicknesses, cross-sectional areas, and moments of inertia. Derivatives are obtained for displacements, stresses, vibration frequencies and mode shapes, and buckling loads and mode shapes. Three methods for calculating derivatives are implemented (analytical, semianalytical, and finite differences), and comparisons of computer time and accuracy are made. Results are presented for four examples: a swept wing, a box beam, a stiffened cylinder with a cutout, and a space radiometer-antenna truss.

Camarda, C. J.↗
DOE OSTI2020

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

COFS 2: 3-D dynamics and controls technology

The Control of Flexible Structures (COFS) 2 project is a complex and ambitious undertaking which will address several critical technology areas. Among them are modeling, structural dynamics, controls, and ground testing issues which are not only germane to this effort, but to other large space structure programs being contemplated. This effort requires the early integration of controls and structural dynamics considerations in order to achieve mission success. Several technology advances must be achieved in the areas of system modelling, control synthesis and methodology, sensor/actuator development, and ground testing techniques for system evaluation and on-orbit performance prediction and verification. This project offers a unique opportunity for the integration of several disciplines to produce technology advances which will benefit many future programs. In addition, the opportunities available to participate in the various levels in the phase of this project, e.g., analytical development and modelling, ground testing, and flight testing, permit for the involvement of a significant number of interested researchers and organizations from government, universities and industry.

Pyle, Jon S.↗
NASA NTRS1992

A DE-1/whistler study of the thermal plasma structure and dynamics in the dusk bulge sector of the magnetosphere

The objective of this research was to obtain new understanding of the thermal plasma structure and dynamics of the plasmasphere bulge region of the magnetosphere, with special emphasis on the erosion process that results in a reduction in plasmasphere size and on the manner in which erosion leads to the presence of patches of dense plasma in the middle and outer afternoon-dusk magnetosphere. Case studies involving data from the DE 1, GEOS 2, and ISEE 1 satellites and from ground whistler stations Siple, Halley, and Kerguelen were used. A copy of the published paper entitled 'A case study of plasma structure in the dusk sector associated with enhanced magnetospheric convection,' is included.

Carpenter, D. L.↗
NASA NTRS2000

The Structure and Dynamics of the Solar Corona

This report covers technical progress during the third year of the NASA Space Physics Theory contract "The Structure and Dynamics of the Solar Corona," between NASA and Science Applications International Corporation, and covers the period June 16, 1998 to August 15, 1999. This is also the final report for this contract. Under this contract SAIC, the University of California, Irvine (UCI), and the Jet Propulsion Laboratory (JPL), have conducted research into theoretical modeling of active regions, the solar corona, and the inner heliosphere, using the MHD model. During the three-year duration of this contract we have published 49 articles in the scientific literature. These publications are listed in Section 3 of this report. In the Appendix we have attached reprints of selected articles. We summarize our progress during the third year of the contract. Full descriptions of our work can be found in the cited publications, a few of which are attached to this report.

Mikic, Zoran↗
DOE OSTI2021

Structural and Dynamical Roles of Bound Polymer Chains in Rubber Reinforcement

The addition of nanofillers to rubber matrices is a powerful route to improve the mechanical properties. Here, we focus on a molecular understanding of basic mechanisms that are important for the reinforcement in rubbers. The key role in this process is ascribed to bound rubber (BR) that engages with the matrix as well as with adjacent nanofillers. To date, this understanding has been impeded by the lack of experimental tools to directly probe the BR chains buried in a polymer matrix composed of the same polymer. To tackle this challenge, we combine neutron scattering/spectroscopy techniques with isotope-labeling and molecular dynamics simulations. The system is a simplified carbon-black-filled polybutadiene. The combined experimental and computational results provide new insights into the local structural and dynamical heterogeneities of BR chains and their interactions with the matrix polymer, highlighting (i) the structural partition of the bound chains into three components (i.e., trains, loops, and tails) and their fractions; (ii) their dynamical hierarchies, i.e., the trains that remain immobile on the filler surface, the loops that are fairly large and hence allow the interdigitation of matrix chains, and the tails with their unique characteristics to reach far out into the matrix and entangle with matrix chains. These multiple roles of the constituent components of the BR chains promote the formation of a well-developed adhesive polymer–filler interface, enhancing the elastic property of a filled rubber. Finally, the comprehensive understanding derived and validated by the model rubber will be translatable to many other polymer nanocomposites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Structure and Dynamics of the Quiet Solar Chromosphere

For the meeting of the AAS/SPD in Albuquerque, NM, I organized a Topical Session of the AAS on Structure and Dynamics of Chromospheres. The grant support was used to bring to the US two of the speakers from abroad. I had invited them for presentations at the Session: Dr. Klaus Wilhelm, the former PI of the SUMER instrument on SOHO, from the Max-Planck Institut in Lindau, Germany, and Dr. Sirajul Hasan, from the Indian Institute of Astrophysics in Bangalore, India. Both speakers preceded their trip to the AAS meeting with a stay at the Smithsonian Astrophysical Observatory, where they interacted with members of the Solar and Stellar Physics division. The highlights of the visits were the talks at the AAS/SPD meeting, in which six invited speakers told the audience of astronomers about current problems in solar physics and their relation to stellar problems. An important result of the visits is a paper by Dr. Wilhelm and me on 'Observations of the upper solar chromosphere with SUMER on SOHO', which has been submitted to Astronomy and Astrophysics for publication.

Kalkofen, Wolfgang↗
DOE OSTI2022

Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering

Organophosphorus (OP) compounds, including nerve agents and some pesticides, covalently bind to the catalytic serine of human acetylcholinesterase (hAChE), thereby inhibiting acetylcholine hydrolysis necessary for efficient neurotransmission. Oxime antidotes can reactivate the OP-conjugated hAChE, but reactivation efficiency can be low for pesticides, such as paraoxon (POX). Understanding structural and dynamic determinants of OP inhibition and reactivation can provide insights to design improved reactivators. Here, in this study, X-ray structures of hAChE with unaged POX, with POX and oximes MMB4 and RS170B, and with MMB4 are reported. A significant conformational distortion of the acyl loop was observed upon POX binding, being partially restored to the native conformation by oximes. Neutron vibrational spectroscopy combined with molecular dynamics simulations showed that picosecond vibrational dynamics of the acyl loop soften in the ~20–50 cm –1 frequency range. The acyl loop structural perturbations may be correlated with its picosecond vibrational dynamics to yield more comprehensive template for structure-based reactivator design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Local conformations and heterogeneities in structures and dynamics of isotactic polypropylene adsorbed onto carbon fiber

Carbon fiber (CF) reinforced polymers (CFRPs) have experienced widespread use in various industries. One of the most important parameters that controls the macroscopic property of CFRPs is the interface between a polymer matrix and CF. There is growing evidence to suggest the formation of a bound polymer layer (BPL), i.e., polymer chains that physically adsorb on a filler surface. However, this interface is always in contact with the thicker part of a polymer matrix, rendering its understanding a difficult task. Therein, we use CF-reinforced isotactic polypropylene (iPP) as a rational CFRP. To characterize the BPL on the CF surface, we extracted it from the CFRP using solvent-rinsing with p-xylene. The physical and thermal properties of the BPL were characterized by differential scanning calorimetry and thermogravimetric analysis, while its microscopic structures and dynamics were probed by small-angle neutron scattering and quasi-elastic neutron scattering (QENS) techniques. Subsequently, we employed atomistic molecular dynamics (MD) simulations to complement the QENS results above the bulk melting temperature and reveal details that were experimentally inaccessible. In this work, we observed that the degree of crystallinity of the BPL was quite lower than the bulk, while the melting temperature of the BPL remained the same as the bulks. Within the given length and time scales probed by QENS and MD, we also observed that most of the bound chains were mobile, with the formation of a high-density region (less than 1 nm in thickness) near the CF surface. The segmental dynamics of the bound chains probed by both QENS and MD were also much faster than those of the free chains, possibly due to the presence of a free surface region at the topmost surface of the BPL. Furthermore, the MD results demonstrated that the backbone chains and side groups lie nearly flat on the CF surface, which is the driving force for the flattening process of the iPP BPL to overcome the conformational entropy loss in the total free energy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations (Final progress report)

This is the final technical report for the DOE Atmospheric System Research funded project entitled "Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations". This project addressed several science questions related to the structure and behavior of deep convective clouds in the atmosphere. It applied knowledge gained from this work to improve the deep cumulus convection parameterization in the Community Earth System Model (CESM). Specific outcomes related to the project include an improved understanding of: (1) how convective cloud environments regulate the size of thermals reaching the upper troposphere, and hence the shallow-to-deep convective transition; (2) the role of dynamic pressure forcing in thermal and convective cloud evolution; and (3) the role of vertical wind shear on the behavior of moist thermals and the transition from shallow to deep convection. Although the primary motivation of this project was to improve basic understanding of thermal dynamics in atmospheric convection, an important component of this work was using this improved understanding to modify the representation of entrainment and vertical velocity profiles in the Zhang-McFarlane cumulus parameterization used in CESM. This work also had a strong observational component, with analyses of Atmospheric Radiation Measurement (ARM) observations to characterize thermal characteristics and behavior. Observations collected during the ARM-supported CACTI field project were used with high-resolution simulations to explore environmental controls on deep convection initiation. Data from the ARM-supported MC3E field project were also used to evaluate the representation of updraft vertical velocities in the Zhang-McFarlane cumulus parameterization. This project directly supported the training of two post-doctoral researchers and led to 16 peer-reviewed published papers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Morphological Heterogeneity Impact of Film Solid-State Cathode on Utilization and Fracture Dynamics

Structural heterogeneity in solid-state batteries can impact material utilization and fracture mechanisms. Crystallographically oriented lithium cobalt oxide film cathodes serve as a model electrode system for exploring how void distribution contributes to stress relief and build up during cycling. Real- and reciprocal-space operando and ex situ synchrotron based experiments are utilized to understand structural changes across multiple length scales contribute to stress generation and fracture. Nanotomography uncovers a depth-dependent porosity variation in the pristine electrode and highlights preferential fracture in regions of lower porosity during delithiation. Energy-dispersive X-ray diffraction and 3D X-ray absorption near-edge spectroscopy (XANES) reveal the underutilization of cathode material in these regions. 3D XANES also confirms preferential delithiation near the sub-grain boundaries. Chemo-mechanical modeling coupled with site-specific mechanical characterization demonstrate how stress accumulation in dense regions of the electrode leads to fracture and underutilization of active material. In conclusion, our findings reveal the importance of materials design to alleviate stress in small-volume changing cathodes.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Preliminary results of the study of lightning location relative to storm structure and dynamics

Lightning is being studied relative to storm structure using a VHF space-time discharge mapping system, radar, a cloud-to-ground flash locator, acoustic reconstruction of thunder, and other instrumentation. The horizontal discharge processes within the cloud generally propagate at speeds of 10,000-100,000 m/s. Horizontal extents of lightning were found up to 90 km. In an analysis of a limited number of flashes, lightning occurred in or near regions of high cyclonic shear. Positive cloud-to-ground flashes have been observed emanating from several identifiable regions of severe storms. Lightning echoes observed with 10-cm radar generally are 10-25 dB greater than the largest precipitation echo in the storm.

Rust, W. D.↗
NASA NTRS1997

Spherical Diffusion Flames: Structure and Dynamics

The spherical geometry is the most suitable one to study fundamental issues concerning the structure and the dynamics of diffusion flames. From a theoretical point of view, it is the only geometry that permits the existence of a truly one dimensional stationary diffusion flame. A stationary planar diffusion flame with the fuel supplied upstream, at x approaches -infinity say, and the oxidant downstream, at x approaches +infinity is not possible. For a steady diffusion flame to exist, one must have nonzero fluxes of fuel and oxidant towards the flame. However, in the unlimited region behind the planar flame the only bounded solutions to the reaction-free convective-diffusive operator are constants. Hence the oxidant concentration behind the flame remains constant and there is no mechanism to generate the necessary flux towards the flame. A one-dimensional problem can be formulated if the reactants are supplied at finite locations; but the boundary conditions in this case introduce unnecessary complications and do not appropriately model the physical reality. Indeed, a planar diffusion flame can be established in the stagnation-point flow of two opposed jets but the flame in this case is stretched and the flow is essentially two-dimensional. The only stationary one-dimensional diffusion flame in an unlimited environment is therefore the spherical flame.

Matalon, Moshe↗