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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Analysis of the transient response of shell structures by numerical methods.

This paper examines some basic considerations underlying dynamic shell response analysis and the impact of these considerations upon the practical aspects of solution by numerical methods. Emphasis is placed on the solution of linear problems. The present states of development of the finite difference and finite element methods are reviewed, and techniques for the treatment of temporal variation are discussed. An examination is made of the frequency parameters characteristic of thin shell theory, applied excitations, and spatial mesh geometries, and the significance of these parameters with respect to computational convergence is illustrated.

Geers, T. L.↗
DOE OSTI2025

STEPs-SOL, a Peptoid Force Field Parameterization to Include Solvent Effects

As peptoids (N-substituted glycines) continue to gain popularity as a class of biomimetic polymers, the importance and demand for accurate force fields in molecular simulations also grow. Building on the vacuum-optimized Systematic and Extensible Force Field for Peptoids (STEPs) force field, here we present STEPs-SOL, a novel peptoid force field parametrization that effectively incorporates solvent effects to enhance the accuracy of peptoid simulations. The development of STEPs-SOL is based on the need for precise electrostatic modeling achieved through solvent-specific partial charge optimization. Here, our systematic approach significantly improves agreement with experimental measurements, reducing the mean absolute error in cis/trans ratio predictions (ΔG c/t ) by an average of 38% across multiple peptoid residues and solvent environments. This improved parametrization addresses computational challenges associated with nonbonded energies while maintaining a workflow that relies on high-level quantum mechanical data rather than depending solely on limited experimental equilibrium properties. By evaluating the effects of conformational bias in restrained electrostatic potential (RESP) charge generation and examining their impact on peptoid conformations in various solvents, we enhance our understanding of peptoid structural dynamics while providing a more accurate modeling framework.

force field↗
NASA NTRS2000

South American Summer Monsoon of 1997/1998 and 1998/1999

It is well known that during El Nino years severe drought occurs in the area of Amazon and northeastern Brazil. According to the linear model result the reduced latent heating over the Amazon may lead to a weaker than normal upper tropospheric Bolivian high. As a result, some studies have suggested a weaker South American summer monsoon (SASM) during El Nino years. Using re-analysis. Zhou and Lau data found a statistically significant positive correlation between the tropical eastern Pacific sea surface temperature (SST) and the strength of low-level jet (LLJ) along the eastern foothills of the tropical-subtropical Andes. Douglas also showed a strong LLJ at Santa Cruz, Bolivia during a special pilot balloon observation period in 1997/98 El Nino austral summer. Since this LLJ is an integral part of the monsoon system in the summertime, these results indicated that SASM could be stronger than normal in El Nino years. To clarify this issue, we conducted an investigation on SASM anomaly in the recent ENSO event of 1997/98 El Nino and 1998/99 La Nina In the following we first give a brief review on SASM and the interannual variability of summer rainfall over South America. Then, the impact of 1997-99 ENSO on the South American regional thermal structure and its dynamical consequences to SASM will be discussed.

Lau, William K.-M.↗
NASA NTRSDate not supplied

The Payload and Operations of the Hera Mission

On 26 September 2022, NASA’s DART mission successfully impacted on Dimorphos, the secondary of the binary asteroid Didymos. DART released the Light Italian Cubesat for Imaging of Asteroids (LICIACube) two weeks before the impact, and LICIACube flew by the asteroids three minutes after the impact. On approach, DART took images of both asteroids, which, supported by additional imagery from LICIACube, characterized the pre-impact state of the Didymos system. DART changed the orbit of Dimorphos around Didymos, reducing its orbital period by 33 minutes. DART will be followed by a detailed investigation of the Didymos system and the outcome of the impact by ESA’s Hera mission. Hera will be launched in October 2024 and arrive at Didymos in early 2027. The presentation will focus on the payload of the Hera mission and the operations at the asteroid system. The main objectives of the Hera mission are to: - Measure the mass of Dimorphos to accurately measure the momentum transfer efficiency of the DART impact. - Characterise the change of the surface of Dimorphos by DART, including the properties (and existence!) of the DART crater, to improve our understanding of impact physics and to observe unweathered material, recently exposed at the surface. - Determine the physical properties of Dimorphos, including its internal structure, to allow scaling of the impact to different types of asteroids. - Measure the dynamical and physical state of the Didymos and Dimorphos system to constrain binary formation scenarios. Hera is equipped with the following payload: Two Asteroid Framing Cameras (AFCs) for both science and navigation. There resolution is ~10-4 rad/pixel, or 40 cm/pixel for close observations from 4 km. They will provide the target global properties as well as local geomorphology and will investigate the crater and impact site. They will also measure the mass of Dimorphos through the “wobble” motion of Didymos. The Planetary ALTimeter (PALT) will measure the distance to the target and shape and topography information complementary to that from AFC images. The Thermal InfraRed Imager (TIRI) will provide information about the thermal properties of the Didymos system and spectral information in the mid-infrared (6 bands from 7 – 14 µm). The Hyperscout-H hyperspectral imager will provide mineralogical information from 25 spectral bands between 665 and 975 nm. Milani, a 6 unit cubesat, will carry a visible to near-IR imaging spectrometer (ASPECT, 500 – 2500 nm) to derive mineralogical information on the composition of the asteroids, and a thermogravimeter (VISTA) to measure the abundance and constrain the composition of ambient dust particles. Juventas, a 6 unit cubesat, will carry a monostatic low-frequency radar (JuRa), and a gravimeter (GRASS) to derive interior and surface properties of the asteroids. The Radio Science experiment will measure the gravity field of the Didymos system. Measurements of the acceleration of the Hera spacecraft by the asteroid pair through the radio link between Earth and Hera will be used as well as the inter-satellite link between Hera and the two cubesats. We will describe how the goals of Hera will be achieved with the different payload elements.

Michael Küppers↗
NASA NTRSDate not supplied

To Cage or Not to Cage Seagrass; Is There Even a Question?

To Cage or Not to Cage Seagrass; Is There Even a Question? Loraé T. Simpson1, Morgan K. Gilligan1, Douglas M. Scheidt2 1Florida Oceanographic Society, Stuart, FL; 2Herndon Solutions Group/NEMCON, Kennedy Space Center, FL Contact email: lsimpson@floridaocean.org Diminished water quality has led to the decline of seagrasses and their associated ecosystem services in the Banana River Lagoon (BRL), resulting in increased restoration initiatives. Restoration success may be hindered by herbivory and the addition of herbivore exclusion devices may limit grazing stress on newly established seagrasses. These structures may alter sediment dynamics, influencing seagrass productivity. To test whether herbivore exclusion devices impact restoration success and sediment dynamics, we caged half of our seagrass restoration plots in the BRL. Treatments were monitored monthly for seagrass growth, and at three months for porewater nutrients, sediment bulk density, and carbon to nitrogen ratio. On average, caged plots had 87% more seagrass cover and 81% taller blades than control plots, highlighting the importance of caging newly transplanted seagrasses. There was no significant difference in porewater or sediment characteristics between treatments, suggesting that pedogensis and nutrient cycling need extended monitoring to capture changes in temporal scales.

Indian River Lagoon↗
NASA NTRSDate not supplied

To Cage or Not to Cage Seagrass; Is There Even a Question?

Diminished water quality has led to the decline of seagrasses and their associated ecosystem services in the Banana River Lagoon (BRL), resulting in increased restoration initiatives. Restoration success may be hindered by herbivory and the addition of herbivore exclusion devices may limit grazing stress on newly established seagrasses. These structures may alter sediment dynamics, influencing seagrass productivity. To test whether herbivore exclusion devices impact restoration success and sediment dynamics, we caged half of our seagrass restoration plots in the BRL. Treatments were monitored monthly for seagrass growth, and at three months for porewater nutrients, sediment bulk density, and carbon to nitrogen ratio. On average, caged plots had 87% more seagrass cover and 81% taller blades than control plots, highlighting the importance of caging newly transplanted seagrasses. There was no significant difference in porewater or sediment characteristics between treatments, suggesting that pedogensis and nutrient cycling need extended monitoring to capture changes in temporal scales.

Indian River Lagoon↗
NASA NTRS1989

Experimental investigation of the crashworthiness of scaled composite sailplane fuselages

The crash dynamics and energy absorption of composite sailplane fuselage segments undergoing nose-down impact were investigated. More than 10 quarter-scale structurally similar test articles, typical of high-performance sailplane designs, were tested. Fuselages segments were fabricated of combinations of fiberglass, graphite, Kevlar, and Spectra fabric materials. Quasistatic and dynamic tests were conducted. The quasistatic tests were found to replicate the strain history and failure modes observed in the dynamic tests. Failure modes of the quarter-scale model were qualitatively compared with full-scale crash evidence and quantitatively compared with current design criteria. By combining material and structural improvements, substantial increases in crashworthiness were demonstrated.

Kampf, Karl-Peter↗
NASA NTRS1979

Nonlinear structural crash dynamics analyses

Presented in this paper are the results of three nonlinear computer programs, KRASH, ACTION and DYCAST used to analyze the dynamic response of a twin-engine, low-wing airplane section subjected to a 8.38 m/s (27.5 ft/s) vertical impact velocity crash condition. This impact condition simulates the vertical sink rate in a shallow aircraft landing or takeoff accident. The three distinct analysis techniques for nonlinear dynamic response of aircraft structures are briefly examined and compared versus each other and the experimental data. The report contains brief descriptions of the three computer programs, the respective aircraft section mathematical models, pertinent data from the experimental test performed at NASA Langley, and a comparison of the analyses versus test results. Cost and accuracy comparisons between the three analyses are made to illustrate the possible uses of the different nonlinear programs and their future potential.

Hayduk, R. J.↗
DOE OSTI2025

Structural and Mechanistic Advances in the Chemistry of Methyl-Coenzyme M Reductase (MCR)

Methane represents 34% of U.S. energy consumption and is a major greenhouse gas related to the global carbon cycle and energy production. However, current industrial practices significantly increase atmospheric methane levels, necessitating a deeper understanding of its biosynthesis and oxidation. Methyl-coenzyme M reductase (MCR) is central to biological methane metabolism, catalyzing the final step of methanogenesis and the first step in anaerobic methane oxidation. It is also a key target for strategies to capture and transform methane into value-added chemicals.The active site of MCR is a buried Ni-based cofactor only accessible by the substrates via a 50 Å long tunnel. Although the Ni(I) state is required to initiate catalysis, capturing this state remains a challenge for the current structural techniques. Recent advances in structural biology using X-ray Free-Electron Laser serial crystallography have provided insights into MCR's inactive Ni(II) state at room temperature and show promise for capturing its active Ni(I) form.Our team has established several critical aspects of the MCR mechanism using a combination of experimental and computational studies. MCR uses CH 3 -SCoM and CoBSH as substrates, producing methane and a disulfide product CoMSSCoB. Kinetic analysis showed that productive substrate binding requires CH 3 -SCoM to bind first, inducing conformational changes that optimize the active site for subsequent CoBSH binding. Following substrate binding, four proposed methane production/oxidation mechanisms were examined, establishing whether the reaction proceeds through an organometallic methyl-nickel(III), methyl anion ion, or methyl radical intermediate. Experimental measurements using CoBSH analogs successfully slowed the reaction, allowing for mechanistic insight that demonstrated the methyl radical pathway, where the initial interactions involve homolytic cleavage of the methyl-sulfur bond, generating a methyl radical that quickly abstracts the thiol hydrogen atom of CoBSH to form methane. Computational studies further confirmed that, compared to other mechanisms, the methyl radical mechanism is thermodynamically more favorable and accessible under physiological conditions.Spectroscopic and computational studies challenged the conventional understanding of substrate binding in MCR by proposing an alternative positioning of CH 3 -SCoM and CoMSSCoB in the active site pocket. The research suggested that CH 3 -SCoM (substrate) and CoMSSCoB (product) bind via their sulfonate groups to the Ni(I) center of cofactor F 430 . This binding allows for the reaction without substrate reorganization in the pocket but would require a long-range electron transfer. Altogether, the work summarized in this review reflects our current understanding of the enzyme's catalytic mechanism and structural dynamics. This is essential for developing efficient methane conversion technologies that could mitigate its environmental impact while harnessing energy-storage properties.

03 NATURAL GAS↗
DOE OSTI2024

Mineral-associated organic matter is heterogeneous and structured by hydrophobic, charged, and polar interactions

The formation of mineral-associated organic matter (MAOM) is a key phenomenon that may explain the slow turnover rates of carbon in soil organic matter (SOM). Despite this, important details pertaining to the structure and dynamics of MAOM remain unknown. In the present study, we use replica-exchange molecular dynamics simulations to gain insight into the structure of MAOM on the surface of prototypical phyllosilicate clay and Fe-oxide minerals, montmorillonite and goethite, fine-grained minerals that strongly impact soil carbon dynamics in temperate and tropical regions, respectively. We examine the impact of aqueous chemistry through the presence of either Na + or Ca 2 + charge balancing counterions. Our results are consistent with the hypothesized multilayer sorption (“onion-skin”) model of MAOM and help to explain previous observations regarding the patchy distribution of SOM on mineral surfaces. In particular, the SOM coatings are partial and laterally heterogeneous, and water retains extensive access to mineral surfaces even when significant SOM sorption occurs. Low molecular weight neutral SOM molecules ( < 200 Da) infrequently interact with the mineral surfaces nor their sorbed organic matter coatings and are increasingly labile with decreasing molecular weight. This observation is inconsistent with a central feature of the predominant soil continuum model of SOM and suggests that further iterations of the conceptual model may be required.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Structural dynamics division research and technology accomplishments for F.Y. 1991 and plans for F.Y. 1992

The work under each technical area is described in terms of highlights of accomplishments during the past year and highlights of plans for the current year as they relate to 5 year plans for each technical area. This information will be useful in program coordination with other government organizations and industry in areas of mutual interest. The structural dynamics division consist of the following branches: configuration aeroelasticity; unsteady aerodynamics; aeroservoelasticity; landing and impact dynamics; and spacecraft dynamics.

Wynne, Eleanor C.↗
NASA NTRS2004

Bringing in the Reinforcements

What do NASA and ballistics have in common? More than the average person may know. Everyday, millions of Americans drive in vehicles, cross over bridges, and fly in airplanes without knowing just how important NASA s role in studying ballistics is in making these actions viable and safe for them. At Glenn Research Center s Ballistic Impact Facility, NASA scientists and engineers study the dynamics of high-speed projectiles and their impact on targets to create materials and structures that are smarter, lighter, and stronger. By applying the science of ballistics to new developments, these researchers are taking major steps in preventing catastrophic events. The Ballistic Impact Facility s main features are a 40-foot-long gas gun that can launch projectiles at speeds over 1,000 miles per hour and highspeed cameras that can capture up to 250 million images per second.

Source record↗
DOE OSTI2025

Aeroelastic Modelling of Large Wind Turbines: Towards a Unified OpenFAST-SEAHOWL Approach

In recent years, the scale of wind turbines has significantly increased to maximize energy capture for a given site (particularly offshore), presenting new challenges in terms of structural design and dynamics. As towers grow taller and blades grow longer, flexion and torsion of the latter have a non-negligible impact on the behavior and performance of the turbine in terms of overall loads, power production, and control. When representing large-scale wind turbines numerically to capture these important effects, particular attention must therefore be given to the level of fidelity for representing each structural component, as well as the coupling scheme used between them to keep simulations accurate, stable, and efficient. To address this issue, we combine here the two following tools: (1) OpenFAST, the reference whole-turbine simulation tool from NREL with standalone modules covering each physics and the choice between loose coupling and a new tight coupling scheme for structural dynamics, and (2) SEAHOWL, the whole-turbine simulation tool from TotalEnergies with monolithic coupling of structural dynamics through Project Chrono and partitioned coupling for multiphysics interactions.

17 WIND ENERGY↗
DOE OSTI2026

Correlating Protein Dynamics and Catalytic Activity of a Model Hydrogenase Using Paramagnetic and Biological Nuclear Magnetic Resonance Spectroscopy

Rational catalyst design remains a significant challenge, with electronic structure, steric, and electrostatic effects known to contribute to activity. Recently, dynamics has been recognized as another factor that impacts catalysis, though identifying and predicting these effects has remained out of reach. Nickel-substituted rubredoxin (NiRd), a protein-based mimic of a hydrogenase enzyme, serves as a model catalytic system in which dynamics can be systematically investigated with respect to activity. While over 30 secondary-sphere mutants of NiRd have been shown to be catalytically active, no significant correlation was observed between the rates and catalytic overpotential or electronic structure, prompting questions about the protein-derived factors that modulate activity. Here, in this work, NMR spectroscopy was used to investigate the roles of substrate accessibility, protein dynamics, and protein stability in controlling catalysis. Significant paramagnetic effects from the nickel center (S = 1) isolate the methylene proton resonances of the metal-coordinating cysteine residues. The sensitivity of resonance positions and linewidths to local environment offers an opportunity to study dynamical molecular changes around the metal center with high resolution. Machine learning algorithms were employed to identify correlations between the catalytic activity and the paramagnetic NMR spectra. These analyses revealed spectroscopic features of specific cysteine protons that report on catalytic overpotential and increased turnover rates, which are further supported by the results obtained using high-field NMR techniques. Collectively, these studies indicate the potential for multifrequency NMR techniques to resolve key contributors to catalytic activity and highlight the importance of local and outer-sphere dynamics.

Protein Engineering↗
DOE OSTI2025

Modeling the impact of structure and coverage on the reactivity of realistic heterogeneous catalysts

Adsorbates often cover the surfaces of catalysts densely as they carry out reactions, dynamically altering their structure and reactivity. Understanding adsorbate-induced phenomena and harnessing them in our broader quest for improved catalysts is a substantial challenge that is only beginning to be addressed. Here, in this work, we chart a path toward a deeper understanding of such phenomena by focusing on emerging in silico modeling methodologies, which will increasingly incorporate machine learning techniques. We first examine how adsorption on catalyst surfaces can lead to local and even global structural changes spanning entire nanoparticles, and how this affects their reactivity. We then evaluate current efforts and the remaining challenges in developing robust and predictive simulations for modeling such behavior. Last, we provide our perspectives in four critical areas—integration of artificial intelligence, building robust catalysis informatics infrastructure, synergism with experimental characterization, and adaptive modeling frameworks—that we believe can help surmount the remaining challenges in rationally designing catalysts in light of these complex phenomena.

catalytic mechanisms↗
NASA NTRS2019

Improving Accuracy of Structural Dynamic Modification with Augmented Residual Vectors

It is often important to perform sensitivity analysis to determine how a structural model will be impacted by design changes. Often, the structural analysts will manually make changes to the finite element model (FEM) to determine the effects. But when dealing with a large FEM with millions of degrees of freedom these manual changes can be cumbersome and calculation of the effects can computationally expensive. Therefore, it is desirable to determine the effects of model changes through approximation methods. One common technique is to determine the analytical sensitivity of the FEM model with respect to the given change. These analytical sensitivities are valid when small changes are made to the structural model, but invalid if large changes need to be assessed. Another approach is to use Structural Dynamic Modification (SDM) to create a surrogate model to analyze model changes. SDM is a widely-used sensitivity method and is used in applications of model updating, uncertainty quantification, and model design studies. SMD is valid for moderate (10-20 percent) changes in the structural model, but model approximations are often needed for large parameter changes (greater than 20 percent). Structural Dynamic Modification can be improved by using residual vectors to augment the surrogate model formulation from SDM. Adding the residual modes increases the fidelity of the surrogate model while keeping the computational cost low. This paper discusses the application and limitations of the augmented residual modes method to two structures: the Integrated Spacecraft and Payload Element (ISPE) of the Space Launch System (SLS) and the full SLS as it is configured during its Integrated Modal Test (IMT).

Stewart, Eric C.↗
DOE OSTI2024

Air‐Ice‐Ocean Coupling During a Strong Mid‐Winter Cyclone: Observing Coupled Dynamic Interactions Across Scales

Abstract Arctic cyclones are key drivers of sea ice and ocean variability. During the 2019–2020 Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, joint observations of the coupled air‐ice‐ocean system were collected at multiple spatial scales. Here, we present observations of a strong mid‐winter cyclone that impacted the MOSAiC site as it drifted in the central Arctic pack ice. The sea ice dynamical response showed spatial structure at the scale of the evolving and translating cyclonic wind field. Internal ice stress and ocean stress play significant roles, resulting in timing offsets between the atmospheric forcing and the ice response and post‐cyclone inertial ringing in the ice and ocean. Ice motion in response to the wind field then forces the upper ocean currents through frictional drag. The strongest impacts to the sea ice and ocean from the passing cyclone occur as a result of the surface impacts of a strong atmospheric low‐level jet (LLJ) behind the trailing cold front and changing wind directions between the warm‐sector LLJ and post cold‐frontal LLJ. Impacts of the cyclone are prolonged through the coupled ice‐ocean inertial response. Local impacts of the approximately 120 km wide LLJ occur over a 12 hr period or less and at scales of a kilometer to a few tens of kilometers, meaning that these impacts occur at combined smaller spatial scales and faster time scales than most satellite observations and coupled Earth system models can resolve.

Meteorology & Atmospheric Sciences↗
NASA NTRS1984

Practical considerations in aeroelastic design

The structural design process for large transport aircraft is described. Critical loads must be determined from a large number of load cases within the flight maneuver envelope. The structural design is also constrained by considerations of producibility, reliability, maintainability, durability, and damage tolerance, as well as impact dynamics and multiple constraints due to flutter and aeroelasticity. Aircraft aeroelastic design considerations in three distinct areas of product development (preliminary design, advanced design, and detailed design) are presented and contrasted. The present state of the art is challenged to solve the practical difficulties associated with design, analysis, and redesign within cost and schedule constraints. The current practice consists of largely independent engineering disciplines operating with unorganized data interfaces. The need is then demonstrated for a well-planned computerized aeroelastic structural design optimization system operating with a common interdisciplinary data base. This system must incorporate automated interfaces between modular programs. In each phase of the design process, a common finite-element model for static and dynamic optimization is required to reduce errors due to modeling discrepancies. As the design proceeds from the simple models in preliminary design to the more complex models in advanced and detailed design, a means of retrieving design data from the previous models must be established.

Rommel, B. A.↗