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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Photogrammetry Methodology Development for Gossamer Spacecraft Structures

Photogrammetry--the science of calculating 3D object coordinates from images--is a flexible and robust approach for measuring the static and dynamic characteristics of future ultra-lightweight and inflatable space structures (a.k.a., Gossamer structures), such as large membrane reflectors, solar sails, and thin-film solar arrays. Shape and dynamic measurements are required to validate new structural modeling techniques and corresponding analytical models for these unconventional systems. This paper summarizes experiences at NASA Langley Research Center over the past three years to develop or adapt photogrammetry methods for the specific problem of measuring Gossamer space structures. Turnkey industrial photogrammetry systems were not considered a cost-effective choice for this basic research effort because of their high purchase and maintenance costs. Instead, this research uses mainly off-the-shelf digital-camera and software technologies that are affordable to most organizations and provide acceptable accuracy.

Pappa, Richard S.↗
NASA NTRS2002

Photogrammetry Methodology Development for Gossamer Spacecraft Structures

Photogrammetry--the science of calculating 3D object coordinates from images-is a flexible and robust approach for measuring the static and dynamic characteristics of future ultralightweight and inflatable space structures (a.k.a., Gossamer structures), such as large membrane reflectors, solar sails, and thin-film solar arrays. Shape and dynamic measurements are required to validate new structural modeling techniques and corresponding analytical models for these unconventional systems. This paper summarizes experiences at NASA Langley Research Center over the past three years to develop or adapt photogrammetry methods for the specific problem of measuring Gossamer space structures. Turnkey industrial photogrammetry systems were not considered a cost-effective choice for this basic research effort because of their high purchase and maintenance costs. Instead, this research uses mainly off-the-shelf digital-camera and software technologies that are affordable to most organizations and provide acceptable accuracy.

Pappa, Richard S.↗
DOE OSTI2026

Thermodynamic Modeling of Intrinsic Defects in MnBi₂Te₄

This repository contains the computational data supporting the manuscript titled “The critical role of intrinsic defects and many-body interactions on the stability of MnBi₂Te₄.” It includes: 1. DFT data generated using VASP, used for training and benchmarking electronic structure models. 2. Quantum Monte Carlo (QMC) data produced with QMCPACK, used to apply many-body corrections and validate the electronic and magnetic properties of MnBi₂Te₄. 3. Relevant scripts used to run, analyze, and process the calculations, enabling reproducibility and transparency of the workflows.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Consequences of long-term water exposure for bulk crystal structure and surface composition/chemistry of nickel-rich layered oxide materials for Li-ion batteries

Water exposure of layered nickel-rich transition metal oxide electrodes, widely used in high-energy lithium-ion batteries, has detrimental effects on the electrochemical performance, which complicates electrode handling and prevents implementation of environmentally benign aqueous processing procedures. Elucidating the degradation mechanisms in play may help rationally mitigate/circumvent key challenges. Here, the bulk structural consequences of long-term (>2.5 years) deuterated water (D2O) exposure of intercalation materials with compositions Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) and Li x Ni 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) are studied by neutron powder diffraction (NPD). Detailed inspection of the NPD data reveals gradual formation of a secondary crystalline phase in all exposed samples, not previously reported for this system. This unknown phase forms faster in liquid- compared to vapor-exposed compounds. Structural modelling of the NPD data shows a stable level of Li/Ni anti-site defects and does not indicate any significant changes in lattice parameters or hydrogen-lithium (D + /Li + ) exchange in the structure. Consequently, the secondary phase formation must take place via transformation rather than modification of the parent material. X-ray photoelectron spectroscopy data indicate formation of LiHCO 3 /Li 2 CO 3 at the surface and a Li-deficient oxide in the sub-surface region of the pristine compounds, and the presence of adsorbed water and transition metal hydroxides at the exposed sample surfaces.

25 ENERGY STORAGE↗
DOE OSTI2019

Structural transformation in Ge x S 100–x (10 ≤ x ≤ 40) network glasses: Structural varieties in short-range, medium-range, and nanoscopic scale

Precise x-ray diffraction measurements using high-energy x rays of synchrotron radiation and systematic Raman scattering measurements were carried out for Ge x S 100–x (10 ≤ x ≤ 40) network glasses. The structural models of the network glasses were proposed based on the results. In the stoichiometric composition Ge 33 S 67 , GeS 4 tetrahedral units are connected forming either corner-sharing or edge-sharing structures. In the S-rich glasses, S atoms are inserted between two neighboring GeS 4 tetrahedra, resulting in a flexible floppy network. In a much more S-rich region, some S 8 ring molecules are isolated from the network, and assemble to form a crystal in nanoscopic scale. In this respect, Ge 10 S 90 samples are regarded as crystallized glasses. In the Ge-rich region, the GeS 4 tetrahedra are connected with bridging Ge atoms. The connection makes a new rigid network. Furthermore, the bridging Ge-S bond is weaker than the intratetrahedron bond, and this leads to drastic changes in the optical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaluation of Leading Modes of Climate Variability in the CMIP Archives

The adequate simulation of internal climate variability is key for our understanding of climate as it underpins efforts to attribute historical events, predict on seasonal and decadal time scales, and isolate the effects of climate change. Here the skill of models in reproducing observed modes of climate variability is assessed, both across and within the CMIP3, CMIP5, and CMIP6 archives, in order to document model capabilities, progress across ensembles, and persisting biases. A focus is given to the well-observed tropical and extratropical modes that exhibit small intrinsic variability relative to model structural uncertainty. These include El Niño–Southern Oscillation (ENSO), the Pacific decadal oscillation (PDO), the North Atlantic Oscillation (NAO), and the northern and southern annular modes (NAM and SAM). Significant improvements are identified in models’ representation of many modes. Canonical biases, which involve both amplitudes and patterns, are generally reduced across model generations. For example, biases in ENSO-related equatorial Pacific sea surface temperature, which extend too far westward, and associated atmospheric teleconnections, which are too weak, are reduced. Stronger tropical expression of the PDO in successive CMIP generations has characterized their improvement, with some CMIP6 models generating patterns that lie within the range of observed estimates. For the NAO, NAM, and SAM, pattern correlations with observations are generally higher than for other modes and slight improvements are identified across successive model generations. Finally, for ENSO and PDO spectra and extratropical modes, changes are small compared to internal variability, precluding definitive statements regarding improvement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Evaluating alternative ebullition models for predicting peatland methane emission and its pathways via data–model fusion

Abstract. Understanding the dynamics of peatland methane (CH4) emissions and quantifying sources of uncertainty in estimating peatland CH4 emissions are critical for mitigating climate change. The relative contributions of CH4 emission pathways through ebullition, plant-mediated transport, and diffusion, together with their different transport rates and vulnerability to oxidation, determine the quantity of CH4 to be oxidized before leaving the soil. Notwithstanding their importance, the relative contributions of the emission pathways are highly uncertain. In particular, the ebullition process is more uncertain and can lead to large uncertainties in modeled CH4 emissions. To improve model simulations of CH4 emission and its pathways, we evaluated two model structures: (1) the ebullition bubble growth volume threshold approach (EBG) and (2) the modified ebullition concentration threshold approach (ECT) using CH4 flux and concentration data collected in a peatland in northern Minnesota, USA. When model parameters were constrained using observed CH4 fluxes, the CH4 emissions simulated by the EBG approach (RMSE = 0.53) had a better agreement with observations than the ECT approach (RMSE = 0.61). Further, the EBG approach simulated a smaller contribution from ebullition but more frequent ebullition events than the ECT approach. The EBG approach yielded greatly improved simulations of pore water CH4 concentrations, especially in the deep soil layers, compared to the ECT approach. When constraining the EBG model with both CH4 flux and concentration data in model–data fusion, uncertainty of the modeled CH4 concentration profiles was reduced by 78 % to 86 % in comparison to constraints based on CH4 flux data alone. The improved model capability was attributed to the well-constrained parameters regulating the CH4 production and emission pathways. Our results suggest that the EBG modeling approach better characterizes CH4 emission and underlying mechanisms. Moreover, to achieve the best model results both CH4 flux and concentration data are required to constrain model parameterization.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

A review of the structure and dynamics of upper-level frontal zones

The development of structural models of upper-level frontal systems from the application of upper-air data to analyses utilizing radiosonde and aircraft observations is reviewed. The effects of turbulent processes and baroclinic waves on frontal structures and dynamics are examined. The use of the Sawyer-Eliassen (1956) equation for calculating the geostrophic, vertical circulations assosicated with frontal zones is described. The formation of upper-level fronts in two-dimensional flows and in three-dimensional baroclinic waves is studied and examples are provided. Future observational, diagnostic, and theoretical investigations on upper-level frontal zones are discussed.

Keyser, D.↗
NASA NTRS1987

Recent trends in rotary-wing aeroelasticity

The purpose of this paper is to survey the principal developments which have occurred in the field of rotary-wing aeroelasticity during the past five-year period. This period has been one of considerable activity and approximately one hundred papers have been published on this topic. To facilitate this review the field has been divided into a number of areas in which concentrated research activity has taken place. The main areas in which recent research is reviewed are: (1) structural modeling; (2) aerodynamic modeling; (3) aeroelastic problem formulation using automated or computerized methods; (4) aeroelastic analyses in forward flight; (5) coupled rotor/fuselage analyses; (6) active controls and their application to aeroelastic response and stability; (7) application of structural optimization to vibration response; and (8) aeroelastic analysis and testing of special configurations. These areas are reviewed with different levels of detail and some useful observations regarding potentially rewarding areas of future research are made.

Friedmann, Peretz P.↗
NASA NTRS1986

Recent trends in rotary-wing aeroelasticity

The purpose of this paper is to survey the principal developments which have occurred in the field of rotary-wing aeroelasticity during the past five year period. This period has been one of considerable activity and approximately one hundred papers have been published on this topic. To facilitate this review the field has been divided into a number of areas in which concentrated research activity has taken place. The main areas in which recent research is reviewed are: (1) structural modeling; (2) aerodynamic modeling; (3) aeroelastic problem formulation using automated or computerized methods; (4) aeroelastic analyses in forward flight; (5) coupled rotor/fuselage analyses; (6) active controls and their application to aeroelastic response and stability; (7) application of structural optimization to vibration reduction; and (8) aeroelastic analysis and testing of special configurations. These areas are reviewed with different levels of detail and some useful observations regarding potentially rewarding areas of future research are made.

Friedmann, Peretz P.↗
NASA NTRS1983

Use of electromagnetic models in the optimal control of large space antennas

A general approach to the optimal control of large space antennas based on their RF/structural characteristics is described. The approach consists of defining a cost functional based on the degradation of the RF performance of the antenna and using the structural model as the dynamic system. The method is applied to the design of an optimal controller for a 55-m, wrap-rib offset-fed antenna. Simulation results show that control energy consumption is reduced to aproximately one third of the energy used to achieve the same RF performance with traditional control strategies.

Manshadi, F.↗
DOE OSTI2019

Chloroplast ultrastructure in plants

The chloroplast organelle in mesophyll cells of higher plants represents a sunlight-driven metabolic factory that eventually fuels life on our planet. Knowledge of the ultrastructure and the dynamics of this unique organelle is essential to understanding its function in an ever-changing and challenging environment. Recent technological developments promise unprecedented insights into chloroplast architecture and its functionality. The review highlights these new methodical approaches and provides structural models based on recent findings about the plasticity of the thylakoid membrane system in response to different light regimes. Furthermore, the potential role of the lipid droplets plastoglobuli is discussed. It is emphasized that detailed structural insights are necessary on different levels ranging from molecules to entire membrane systems for a holistic understanding of chloroplast function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Structural Insights into Mechanisms Underlying Mitochondrial and Bacterial Cytochrome c Synthases

Mitochondrial holocytochrome c synthase (HCCS) is an essential protein in assembling cytochrome c (cyt c) of the electron transport system. HCCS binds heme and covalently attaches the two vinyls of heme to two cysteine thiols of the cyt c CXXCH motif. Human HCCS recognizes both cyt c and cytochrome c1 of complex III (cytochrome bc1). HCCS is mutated in some human diseases and it has been investigated recombinantly by mutational, biochemical, and reconstitution studies in the past decade. Here, we employ structural prediction programs (e.g., AlphaFold 3) on HCCS and its two substrates, heme and cytochrome c. The results, when combined with spectroscopic and functional analyses of HCCS and variants, provide insights into the structural basis for heme binding, apocyt c binding, covalent attachment, and release of the holocyt c product. Results from in vitro reconstitution of purified human HCCS using cyt c and cyt c1 peptides as acceptors are consistent with the structural modeling of substrate binding. Reconstitution of HCCS and cyt c1 provides an approach to studying cyt c1 assembly, which has been refractile to recombinant in vivo reconstitution (unlike HCCS and cyt c). We propose a structural basis for release of the holocyt c product from HCCS based on in vitro studies and on cryoEM structures of the bacterial cyt c synthase (CcsBA) active site. We analyze the kinetoplastid mitochondrial synthase (KCCS), and hypothesize a molecular evolutionary path from mitochondrial endosymbiosis to the current HCCS.

Biochemistry & Molecular Biology↗
NASA NTRS1999

Optimal Frequency-Domain System Realization with Weighting

Several approaches are presented to identify an experimental system model directly from frequency response data. The formulation uses a matrix-fraction description as the model structure. Frequency weighting such as exponential weighting is introduced to solve a weighted least-squares problem to obtain the coefficient matrices for the matrix-fraction description. A multi-variable state-space model can then be formed using the coefficient matrices of the matrix-fraction description. Three different approaches are introduced to fine-tune the model using nonlinear programming methods to minimize the desired cost function. The first method uses an eigenvalue assignment technique to reassign a subset of system poles to improve the identified model. The second method deals with the model in the real Schur or modal form, reassigns a subset of system poles, and adjusts the columns (rows) of the input (output) influence matrix using a nonlinear optimizer. The third method also optimizes a subset of poles, but the input and output influence matrices are refined at every optimization step through least-squares procedures.

Juang, Jer-Nan↗
NASA NTRS1999

Optimal System Realization in Frequency Domain

Several approaches are presented to identify an experimental system model directly from frequency response data. The formulation begins with a matrix-fraction description as the model structure. Frequency weighting such as exponential weighting is introduced to solve a weighted least-squares problem to obtain the coefficient matrices for the matrix-fraction description. A multi-variable state-space model can then be formed using the coefficient matrices of the matrix-fraction description. An approach is introduced to fine-tune the model using non-linear programming methods to minimize the desired cost function. The method deals with the model in the real Schur or modal form and reassigns a subset of system poles using a nonlinear optimizer. At every optimization step, the input and output influence matrices are refined through least-squares procedures. The proposed approaches are used to identify an analytical model for a NASA testbed from experimental data.

Juang, Jer-Nan↗
NASA NTRS1984

Space Shuttle AFRSI OMS pod environment test using model 81-0 test fixture in the Ames Research Center 9x7-foot supersonic wind tunnel (OS-314A/B/C)

A test was conducted in the NASA/Ames Research Center 9x7-foot Supersonic Wind Tunnel to help resolve an anomaly that developed during the STS-6 orbiter flight wherein sections of the Advanced Flexible Reusable Surface Insulation (AFRSI) covering the OMS pods suffered some damage. A one-third scale two-dimensional shell structure model of an OMS pod cross-section was employed to support the test articles. These consisted of 15 AFRSI blanket panels form-fitted over the shell structures for exposure to simulated flight conditions. Of six baseline blankets, two were treated with special surface coatings. Two other panels were configured with AFRSI sections removed from the OV099 orbiter vehicle after the STS-6 flight. Seven additional specimens incorporated alternative designs and repairs. Following a series of surface pressure calibration runs, the specimens were exposed to simulated ascent and entry dynamic pressure profiles. Entry conditions included the use of a vortex generator to evaluate the effect of shed vortices on the AFRSI located in the area of concern.

Collette, J. G. R.↗
DOE OSTI2024

Parameter identification methods for low-order gray box building energy models: A critical review

The body of knowledge on gray box building energy modeling (GBBEM) has been developed over the past few decades and has undergone some important changes recently. Starting with simple methods and simple buildings, the science of GBBEM has grown to encompass complex and more computationally intensive techniques and complex commercial buildings. Numerous works including a recent review have considered model structure and inputs in a nearly systematic way, but no extant work systematically reviews the approaches for GBBEM parameter search initialization and final identification, despite this being arguably the most difficult and impactful part of the modeling process. To this end, we critically review 55 extant works describing advantages, limitations, and domain of applicability of several classes of parameter initialization and optimization techniques specifically for GBBEM. We categorize the classes of methods and analyze the evidence of their applicability for different applications within the field of GBBEM. We find an emerging consensus that initialization of parameter searches for anything other than the simplest building elements is often challenging and sometimes requires a stochastic approach to begin the parameter identification process. After this initial process, faster methods have been used in some cases but often the nature of the problem requires stochastic methods for this portion of the process as well. For less complex systems, more deterministic and efficient methods have been shown to be effective. Finally, we draw conclusions as to the domain of applicability of different classes of initialization and optimization techniques for GBBEEM and offer suggestions for research directions that are likely to prove fruitful.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Recognition of Peptidoglycan Fragments by the Transpeptidase PBP4 From Staphylococcus aureus

Peptidoglycan (PG) is an essential component of the cell envelope, maintaining bacterial cell shape and protecting it from bursting due to turgor pressure. The monoderm bacterium Staphylococcus aureus has a highly cross-linked PG, with ~90% of peptide stems participating in DD-cross-links and up to 15 peptide stems connected with each other. These cross-links are formed in transpeptidation reactions catalyzed by penicillin-binding proteins (PBPs) of classes A and B. Most S. aureus strains have three housekeeping PBPs with this function (PBP1, PBP2, and PBP3) but MRSA strains have acquired a third class B PBP, PBP2a, which is encoded by the mecA gene and required for the expression of high-level resistance to β-lactams. Another housekeeping PBP of S. aureus is PBP4, which belongs to the class C PBPs, and hence would be expected to have PG hydrolase (DD-carboxypeptidase or DD-endopeptidase) activity. However, previous works showed that, unexpectedly, PBP4 has transpeptidase activity that significantly contributes to both the high level of cross-linking in the PG of S. aureus and to the low level of β-lactam resistance in the absence of PBP2a. To gain insights into this unusual activity of PBP4, we studied by NMR spectroscopy its interaction in vitro with different substrates, including intact peptidoglycan, synthetic peptide stems, muropeptides, and long glycan chains with uncross-linked peptide stems. PBP4 showed no affinity for the complex, intact peptidoglycan or the smallest isolated peptide stems. Transpeptidase activity of PBP4 was verified with the disaccharide peptide subunits (muropeptides) in vitro, producing cyclic dimer and multimer products; these assays also showed a designed PBP4(S75C) nucleophile mutant to be inactive. Using this inactive but structurally highly similar variant, liquid-state NMR identified two interaction surfaces in close proximity to the central nucleophile position that can accommodate the potential donor and acceptor stems for the transpeptidation reaction. A PBP4:muropeptide model structure was built from these experimental restraints, which provides new mechanistic insights into mecA independent resistance to β-lactams in S. aureus.

59 BASIC BIOLOGICAL SCIENCES↗