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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The relation between lignin sequence and its 3D structure

Background: Lignin, the second most abundant biopolymer on earth, plays a major structural role in plants, conferring mechanical strength and regulating water conduction. Understanding the three-dimensional structure of lignin is important for fundamental reasons as well as engineering plants towards lignin valorization. Lignin lacks a specific primary sequence, making its average chemical composition the focus of most recent studies. However, it remains unclear whether the 3D structure of lignin molecules depends on their sequence. Methods: In this work, we performed all-atom molecular dynamics simulation of three S/G-lignin molecules with the same average composition but different sequence. Results: A detailed statistical analysis of the radius of gyration and relative shape anisotropy reveals that the lignin sequence has no statistically significant effect on the global three-dimensional structure. We found however, that homopolymers of C-lignin with the same molecular weight have smaller radii of gyration than S/G-lignin. We attribute this to lower hydroxyl content of C-lignin, which makes it more compact and rigid. Conclusions: The 3D structure of lignin is influenced by the overall content of monomeric units and interunit linkages and not by its precise primary sequence. General Significance: Lignin is assumed to not have a well-defined primary structure. The results presented here demonstrate there are no significant differences in the global 3D structure of lignin molecules with the same average composition but different primary sequence.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Climate Induced Spillover and Implications for U.S. Security.

Developing nations incur a greater risk to climate change than the developed world due to poorly managed human/natural resources, unreliable infrastructure and brittle governing/economic institutions. These vulnerabilities often give rise to a climate induced “domino effect” of reduced natural resource production-leading to economic hardship, social unrest, and humanitarian crises. Integral to this cascading set of events is increased human migration, leading to the “spillover” of impacts to adjoining areas with even broader impact on global markets and security. Given the complexity of factors influencing human migration and the resultant spill-over effect, quantitative tools are needed to aid policy analysis. Toward this need, a series of migration models were developed along with a system dynamics model of the spillover effect. The migration decision models were structured according to two interacting paths, one that captured long-term “chronic” impacts related to protracted deteriorating quality of life and a second focused on short-term “acute” impacts of disaster and/or conflict. Chronic migration dynamics were modeled for two different cases; one that looked only at emigration but at a national level for the entire world; and a second that looked at both emigration and immigration but focused on a single nation. Model parameterization for each of the migration models was accomplished through regression analysis using decadal data spanning the period 1960-2010. A similar approach was taken with acute migration dynamics except regression analysis utilized annual data sets limited to a shorter time horizon (2001-2013). The system dynamics spillover model was organized around two broad modules, one simulating the decision dynamics of migration and a second module that treats the changing environmental conditions that influence the migration decision. The environmental module informs the migration decision, endogenously simulating interactions/changes in the economy, labor, population, conflict, water, and food. A regional model focused on Mali in western Africa was used as a test case to demonstrate the efficacy of the model.

Tidwell, Vincent C.↗
DOE OSTI2016

Multi-scale statistical analysis of coronal solar activity

Multi-filter images from the solar corona are used to obtain temperature maps that are analyzed using techniques based on proper orthogonal decomposition (POD) in order to extract dynamical and structural information at various scales. Exploring active regions before and after a solar flare and comparing them with quiet regions, we show that the multi-scale behavior presents distinct statistical properties for each case that can be used to characterize the level of activity in a region. Information about the nature of heat transport is also to be extracted from the analysis.

58 GEOSCIENCES↗
DOE OSTI2020

Potential pathogenicity determinants identified from structural proteomics of SARS-CoV and SARS-CoV-2

Despite SARS-CoV and SARS-CoV-2 being equipped with highly similar protein arsenals, the corresponding zoonoses have spread among humans at extremely different rates. The specific characteristics of these viruses that led to such distinct outcomes remain unclear. Here, we apply proteome-wide comparative structural analysis aiming to identify the unique molecular elements in the SARS-CoV-2 proteome that may explain the differing consequences. By combining protein modeling and molecular dynamics simulations, we suggest non-conservative substitutions in functional regions of the spike glycoprotein (S), nsp1, and nsp3 that are contributing to differences in virulence. Particularly, we explain why the substitutions at the receptor-binding domain of S affect the structure-dynamics behavior in complexes with putative host receptors. Conservation of functional protein regions within the two taxa is also noteworthy. We suggest that the highly conserved main protease, nsp5, of SARS-CoV and SARS-CoV-2 is part of their mechanism of circumventing the host interferon antiviral response. Overall, most substitutions occur on the protein surfaces and may be modulating their antigenic properties and interactions with other macromolecules. Our results imply that the striking difference in the pervasiveness of SARS-CoV-2 and SARS-CoV among humans seems to significantly derive from molecular features that modulate the efficiency of viral particles in entering the host cells and blocking the host immune response.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

3D X-ray microscopy↗
DOE OSTI2023

Windthrow characteristics and their regional association with rainfall, soil, and surface elevation in the Amazon

Abstract Windthrows (trees uprooted and broken by winds) are common across the Amazon. They range in size from single trees to large gaps that lead to changes in forest dynamics, composition, structure, and carbon balance. Yet, the current understanding of the spatial variability of windthrows is limited. By integrating remote sensing data and geospatial analysis, we present the first study to examine the occurrence, area, and direction of windthrows and the control that environmental variables exert on them across the whole Amazon. Windthrows are more frequent and larger in the northwestern Amazon (Peru and Colombia), with the central Amazon (Brazil) being another hot spot of windthrows. The predominant direction of windthrows is westward. Rainfall, surface elevation, and soil characteristics explain the variability (20%–50%) of windthrows but their effects vary regionally. A better understanding of the spatial dynamics of windthrows will improve understanding of the functioning of Amazon forests.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2008

Development of Time-Distance Helioseismology Data Analysis Pipeline for SDO/HMI

The Helioseismic and Magnetic Imager of SDO will provide uninterrupted 4k x 4k-pixel Doppler-shift images of the Sun with approximately 40 sec cadence. These data will have a unique potential for advancing local helioseismic diagnostics of the Sun's interior structure and dynamics. They will help to understand the basic mechanisms of solar activity and develop predictive capabilities for NASA's Living with a Star program. Because of the tremendous amount of data the HMI team is developing a data analysis pipeline, which will provide maps of subsurface flows and sound-speed distributions inferred form the Doppler data by the time-distance technique. We discuss the development plan, methods, and algorithms, and present the status of the pipeline, testing results and examples of the data products.

DuVall, T. L., Jr.↗
NASA NTRS2006

Structural Analysis and Testing of the Inflatable Re-entry Vehicle Experiment (IRVE)

The Inflatable Re-entry Vehicle Experiment (IRVE) is a 3.0 meter, 60 degree half-angle sphere cone, inflatable aeroshell experiment designed to demonstrate various aspects of inflatable technology during Earth re-entry. IRVE will be launched on a Terrier-Improved Orion sounding rocket from NASA s Wallops Flight Facility in the fall of 2006 to an altitude of approximately 164 kilometers and re-enter the Earth s atmosphere. The experiment will demonstrate exo-atmospheric inflation, inflatable structure leak performance throughout the flight regime, structural integrity under aerodynamic pressure and associated deceleration loads, thermal protection system performance, and aerodynamic stability. Structural integrity and dynamic response of the inflatable will be monitored with photogrammetric measurements of the leeward side of the aeroshell during flight. Aerodynamic stability and drag performance will be verified with on-board inertial measurements and radar tracking from multiple ground radar stations. In addition to demonstrating inflatable technology, IRVE will help validate structural, aerothermal, and trajectory modeling and analysis techniques for the inflatable aeroshell system. This paper discusses the structural analysis and testing of the IRVE inflatable structure. Equations are presented for calculating fabric loads in sphere cone aeroshells, and finite element results are presented which validate the equations. Fabric material properties and testing are discussed along with aeroshell fabrication techniques. Stiffness and dynamics tests conducted on a small-scale development unit and a full-scale prototype unit are presented along with correlated finite element models to predict the in-flight fundamental mod

Lindell, Michael C.↗
NASA NTRS1992

Design, analysis, and testing of the Phase 1 CSI Evolutionary Model erectable truss

This report addressed the design, analysis, and testing of the erectable truss structure for the Phase 1 CSI Evolutionary Model (CEM) testbed. The Phase 1 CEM testbed is the second testbed to form part of an ongoing program of focused research at NASA/LaRC in the development of Controls-Structures Integration (CSI) technology. The Phase 1 CEM contains the same overall geometry, weight, and sensor locations as the Phase 0 CEM, but is based in an integrated controller and structure design, whereby both structure and controller design variables are sized simultaneously. The Phase 1 CEM design features seven truss sections composed of struts with tailored mass and stiffness properties. A common erectable joint is used and the strut stiffness is tailored by varying the cross-sectional area. To characterize the structure, static tests were conducted on individual struts and 10-bay truss assemblies. Dynamic tests were conducted on 10-bay truss assemblies as well as the fully-assembled CEM truss. The results indicate that the static and dynamic properties of the structure are predictable, well-characterized, and within the performance requirements established during the Phase 1 CEM integrated controller/structure design analysis.

Gronet, M. J.↗
DOE OSTI2019

High spatiotemporal variability of bacterial diversity over short time scales with unique hydrochemical associations within a shallow aquifer

Understanding microbial community structure and function within the subsurface is critical to assessing overall quality and maintenance of groundwater; however, the factors that determine microbial community assembly, structure, and function in groundwater systems and their impact on water quality remains poorly understood. In this study, three shallow wells (FW301, FW303, FW305) in a non-contaminated shallow aquifer in the ENIGMA-Oak Ridge Field Research Center (Oak Ridge, TN) were sampled approximately 3 times a week over a period of three months to measure changes in groundwater geochemistry and microbial diversity. It was expected that the sampled microbial diversity from two historic field wells (FW301, FW303) would be relatively stable, while diversity from a newer well (FW305) would be less stable over time. The wells displayed some degree of hydrochemical variability over time unique to each well, with FW303 being overall the most stable well and FW301 being the most dynamic based upon dissolved oxygen, conductivity, and nitrate. Community analysis via ss-rRNA paired-end sequencing and distribution-based clustering revealed higher OTU richness, diversity, and variability in groundwater communities of FW301 than the other two wells for diversity binned over all time points. Microbial community composition of a given well was on average > 50% dissimilar to any other well at a given time (days), yet, functional gene diversity as measured with GeoChip remained relatively constant. Similarities in community structure across wells were observed with respect to the presence of 20 shared bacterial groups in all samples in all wells, although at varying levels over the tested time period. Similarity percentage (SIMPER) analysis revealed that variability in FW301 was largely attributed to low abundance, highly-transient populations, while variability in the most hydrochemically stable well (FW303) was due to fluctuations in more highly abundant and frequently present taxa. Additionally, the youngest well FW305 showed a dramatic shift in community composition towards the end of the sampling period that was not observed in the other wells, suggesting possible succession events over time. Time-series analysis using vector auto-regressive models and Granger causality showed unique relationships between richness and geochemistry over time in each well. Finally, these results indicate temporally dynamic microbial communities over short time scales, with day-to-day population shifts in local community structure influenced by available source community diversity and local groundwater hydrochemistry.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Closed-Loop System Identification Experience for Flight Control Law and Flying Qualities Evaluation of a High Performance Fighter Aircraft

This paper highlights some of the results and issues associated with estimating models to evaluate control law design methods and design criteria for advanced high performance aircraft. Experimental fighter aircraft such as the NASA-High Alpha Research Vehicle (HARV) have the capability to maneuver at very high angles of attack where nonlinear aerodynamics often predominate. HARV is an experimental F/A-18, configured with thrust vectoring and conformal actuated nose strakes. Identifying closed-loop models for this type of aircraft can be made difficult by nonlinearities and high order characteristics of the system. In this paper, only lateral-directional axes are considered since the lateral-directional control law was specifically designed to produce classical airplane responses normally expected with low-order, rigid-body systems. Evaluation of the control design methodology was made using low-order equivalent systems determined from flight and simulation. This allowed comparison of the closed-loop rigid-body dynamics achieved in flight with that designed in simulation. In flight, the On Board Excitation System was used to apply optimal inputs to lateral stick and pedals at five angles at attack : 5, 20, 30, 45, and 60 degrees. Data analysis and closed-loop model identification were done using frequency domain maximum likelihood. The structure of identified models was a linear state-space model reflecting classical 4th-order airplane dynamics. Input time delays associated with the high-order controller and aircraft system were accounted for in data preprocessing. A comparison of flight estimated models with small perturbation linear design models highlighted nonlinearities in the system and indicated that the closed-loop rigid-body dynamics were sensitive to input amplitudes at 20 and 30 degrees angle of attack.

Murphy, Patrick C.↗
NASA NTRSDate not supplied

Flight Performance and Stability of Space Launch System Core Stage Thrust Vector Control

The Space Launch System (SLS) Core Stage (CS) Thrust Vector Control (TVC) system is comprised of eight mechanical feedback Shuttle heritage Type III TVC actuators and four RS-25 engines, each attached to a Shuttle heritage gimbal block/bearing. The Core Stage TVC shares vehicle control authority with the SLS 5-segment Solid Rocket Boosters (SRBs) during boost phase flight, and is the sole means of vehicle flight control during in exoatmospheric flight following SRB separation. TVC responses during Green Run Hot Fire (GRHF) testing revealed that the TVC did not meet its performance specifications. Step and frequency responses exhibited unexpected departures from prior laboratory data and modeled behavior. Post-test analysis determined that the characteristics of the structure and gimbal friction are significantly influenced by the thrust-loaded conditions, and the command avionics exhibited a small but important gain nonlinearity. Using the available test data, the design team augmented the flight control TVC models to bound the observed results and include the additional fidelity needed for vehicle flight control analysis so as to build sufficient rationale for flight certification. Prior to the Green Run tests, “simplex” linear models typically used for flight control analysis did not include gimbal friction and other nonlinearities owing to long-standing assumptions that these effects were negligible in the Shuttle Orbiter TVC system. Following the Green Run findings, simulation analysis of the flight dynamics in the time and frequency domain revealed the propensity for a flight control limit cycle oscillation (LCO) if friction and structural compliances fell near the edges of test-predicted bounds. While the “most probable” models did not predict an in-flight LCO, the SLS Program conservatively proceeded with a system-wide evaluation and ultimate acceptance of the possibility for a small amplitude, low-frequency TVC LCO in flight. A final validation of the extensive test and modeling effort occurred when the first flight of SLS successfully demonstrated the fully integrated performance of the vehicle’s TVC system This paper is the final installment in a seven-paper series surveying the design, engineering, test validation, and flight performance of the Core Stage Thrust Vector Control system. In this paper, the development of flight rationale in light of the TVC responses observed in Green Run is discussed, along with a review of the flight telemetry illustrating the correlation of the preflight predictions with the observed performance.

John H. Wall↗
NASA NTRS1989

Robustness analysis for real parametric uncertainty

Some key results in the literature in the area of robustness analysis for linear feedback systems with structured model uncertainty are reviewed. Some new results are given. Model uncertainty is described as a combination of real uncertain parameters and norm bounded unmodeled dynamics. Here the focus is on the case of parametric uncertainty. An elementary and unified derivation of the celebrated theorem of Kharitonov and the Edge Theorem is presented. Next, an algorithmic approach for robustness analysis in the cases of multilinear and polynomic parametric uncertainty (i.e., the closed loop characteristic polynomial depends multilinearly and polynomially respectively on the parameters) is given. The latter cases are most important from practical considerations. Some novel modifications in this algorithm which result in a procedure of polynomial time behavior in the number of uncertain parameters is outlined. Finally, it is shown how the more general problem of robustness analysis for combined parametric and dynamic (i.e., unmodeled dynamics) uncertainty can be reduced to the case of polynomic parametric uncertainty, and thus be solved by means of the algorithm.

Sideris, Athanasios↗
DOE OSTI2017

Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling

Interfacial electric fields play crucial roles in electrochemistry, catalysis, and solar energy conversion. Understanding of the interfacial electric field effects has been hindered by the lack of a direct spectroscopic method to probe of the interfacial field at the molecular level. Here, we report the characterization of the field and interfacial structure at Au/diisocyanide/aqueous electrolyte interfaces, using a combination of in situ electrochemical vibrational sum frequency generation (SFG) spectroscopy, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations. For 1,4-phenylene diisocyanide (PDI), 4,4'-biphenyl diisocyanide (BPDI), and 4,4"-p-terphenyl diisocyanide (TPDI), our results reveal that the frequency of the gold-bound NC stretch mode of the diisocyanide self-assembled monolayer (SAM) increases linearly with the applied potential, suggesting that SFG can be an in situ probe of the strength of the electric field at electrode/electrolyte interfaces. Using DFT-computed Stark tuning rates of model complexes, the electric field strength at the metal/SAM/electrolyte interfaces is estimated to be 108–109 V/m. The linear dependence of the vibrational frequency (and field) with applied potential is consistent with an electrochemical double-layer structure that consists of a Helmholtz layer in contact with a diffused layer. The Helmholtz layer thickness is approximately the same as the molecular length for PDI, suggesting a well-ordered SAM with negligible electrolyte penetration. For BPDI and TPDI, we found that the Helmholtz layer is thinner than the monolayer of molecular adsorbates, indicating that the electrolyte percolates into the SAM, as shown by molecular dynamics simulations of the Au/PDI/electrolyte interface. The reported analysis demonstrates that a combination of in situ SFG probes and computational modeling provides a powerful approach to elucidate the structure of electrochemical interfaces at the detailed molecular level.

Ge, Aimin↗
NASA NTRS2000

Space Solar Power Multi-body Dynamics and Controls, Concepts for the Integrated Symmetrical Concentrator Configuration

Orbiting space solar power systems are currently being investigated for possible flight in the time frame of 2015-2020 and later. Such space solar power (SSP) satellites are required to be extremely large in order to make practical the process of collection, conversion to microwave radiation, and reconversion to electrical power at earth stations or at remote locations in space. These large structures are expected to be very flexible presenting unique problems associated with their dynamics and control. The purpose of this project is to apply the expanded TREETOPS multi-body dynamics analysis computer simulation program (with expanded capabilities developed in the previous activity) to investigate the control problems associated with the integrated symmetrical concentrator (ISC) conceptual SSP system. SSP satellites are, as noted, large orbital systems having many bodies (perhaps hundreds) with flexible arrays operating in an orbiting environment where the non-uniform gravitational forces may be the major load producers on the structure so that a high fidelity gravity model is required. The current activity arises from our NRA8-23 SERT proposal. Funding, as a supplemental selection, has been provided by NASA with reduced scope from that originally proposed.

Glaese, John R.↗
NASA NTRS1980

Spacecraft loads methodology - Transient vs. shock spectra method

The methodology for the establishment of spacecraft loads is strongly influenced by project constraints which include the cost, schedule and allowable weight. The most rigorous approach is the transient loads analysis which requires a composite mathematical model of the spacecraft and launch vehicle. The structural member loads for the entire composite structure are computed by applying the forcing functions, which represent various dynamic environments during the mission, to the composite model. Although this method ideally leads to a lightweight design, it is costly and time consuming due to complex interfaces involving many organizations. To reduce complexity and cost a shock spectra method has been used to design spacecraft structures. This method utilizes envelopes of shock spectra of launch vehicle accelerations obtained from analysis and/or flight measurements. Since only limited information on the launch vehicle model is involved in this process the design loads iteration cycle can be rapidly performed within the payload organization. In the present paper, these two methods will be evaluated by comparing the loads for several spacecraft. Flight measured loads will also be used in the evaluation.

Chen, J. C.↗
DOE OSTI2020

Capture and Decomposition of the Nerve Agent Simulant, DMCP, Using the Zeolitic Imidazolate Framework (ZIF-8)

Understanding mechanisms of decontamination of chemical warfare agents (CWA) is an area of intense research aimed at developing new filtration materials to protect soldiers and civilians in case of state-sponsored or terrorist attack. In this study, we employed complementary structural, chemical, and dynamic probes and in situ data collection, to elucidate the complex chemistry, capture, and decomposition of the CWA simulant, dimethyl chlorophosphonate (DMCP). Our work reveals key details of the reactive adsorption of DMCP and demonstrates the versatility of zeolitic imidazolate framework (ZIF-8) as a plausible material for CWA capture and decomposition. Here, the in situ synchrotron-based powder X-ray diffraction (PXRD) and pair distribution function (PDF) studies, combined with Fourier transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), zinc K-edge X-ray absorption near edge structure (XANES), and Raman spectroscopies, showed that the unique structure, chemical state, and topology of ZIF-8 enable accessibility, adsorption, and hydrolysis of DMCP into the pores and revealed the importance of linker chemistry and Zn 2+ sites for nerve agent decomposition. DMCP decontamination and decomposition product(s) formation were observed by thermogravimetric analysis, FT-IR spectroscopy, and phosphorus (P) K-edge XANES studies. Differential PDF analysis indicated that the average structure of ZIF-8 (at the 30 Å scale) remains unchanged after DMCP dosing and provided information on the dynamics of interactions of DMCP with the ZIF-8 framework. Using in situ PXRD and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), we showed that nearly 90% regeneration of the ZIF-8 structure and complete liberation of DMCP and decomposition products occur upon heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Initial Assessment of a Variable-Camber Continuous Trailing-Edge Flap System on a Rigid Wing for Drag Reduction in Subsonic Cruise

In this paper, we describe an initial optimization study of a Variable-Camber Continuous Trailing-Edge Flap (VCCTEF) system. The VCCTEF provides a light-weight control system for aircraft with long flexible wings, providing efficient high-lift capability for takeoff and landing, and greater efficiency with reduced drag at cruising flight by considering the effects of aeroelastic wing deformations in the control law. The VCCTEF system is comprised of a large number of distributed and individually-actuatable control surfaces that are constrained in movement relative to neighboring surfaces, and are non-trivially coupled through structural aeroelastic dynamics. Minimzation of drag results in a constrained, coupled, non-linear optimization over a high-dimension search space. In this paper, we describe the modeling, analysis, and optimization of the VCCTEF system control inputs for minimum drag in cruise. The purpose of this initial study is to quantify the expected benefits of the system concept. The scope of this analysis is limited to consideration of a rigid wing without structural flexibility in a steady-state cruise condition at various fuel weights. For analysis, we developed an optimization engine that couples geometric synthesis with vortex-lattice analysis to automate the optimization procedure. In this paper, we present and describe the VCCTEF system concept, optimization approach and tools, run-time performance, and results of the optimization at 20%, 50%, and 80% fuel load. This initial limited-scope study finds the VCCTEF system can potentially gain nearly 10% reduction in cruise drag, provides greater drag savings at lower operating weight, and efficiency is negatively impacted by the severity of relative constraints between control surfaces.

trailing edge flaps↗