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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Supersonic Free-Jet Combustion in a Ramjet Burner

A new dual-mode ramjet combustor concept intended for operation over a wide flight Mach number range is described. Subsonic combustion mode is similar to that of a traditional ram combustor which allows operation at higher efficiency, and to lower flight Mach numbers than current dual-mode scramjets. High speed mode is characterized by supersonic combustion in a free-jet that traverses the subsonic combustion chamber to a variable nozzle. The maximum flight Mach number of this scheme is governed largely by the same physics as its classical counterpart. Although a variable combustor exit aperture is required, the need for fuel staging to accommodate the combustion process is eliminated. Local heating from shock-boundary-layer interactions on combustor walls is also eliminated. Given the parallel nature of the present scheme, overall flowpath length is less than that of present dual-mode configurations. Cycle analysis was done to define the flowpath geometry for computational fluid dynamics (CFD) analysis, and then to determine performance based on the CFD results. CFD results for Mach 5, 8, and 12 flight conditions indicate stable supersonic free-jet formation and nozzle reattachment, thereby establishing the basic feasibility of the concept. These results also reveal the structure of, and interactions between the free-jet and recirculating combustion chamber flows. Performance based on these CFD results is slightly less than that of the constant-pressure-combustion cycle analysis primarily due to these interactions. These differences are quantified and discussed. Additional CFD results at the Mach 8 flight condition show the effects of nozzle throat area variation on combustion chamber pressure, flow structure, and performance. Calculations with constant temperature walls were also done to evaluate heat flux and overall heat loads. Aspects of the concept that warrant further study are outlined. These include diffuser design, ramjet operation, mode transition, loss mechanisms, and the effects of secondary flow for wall cooling and combustion chamber pressurization. Also recommended is an examination of system-level aspects such as weight, thermal management and rocket integration as well as alternate geometries and variable geometry schemes.

Trefny, Charles J.↗
DOE OSTI2026

Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: a benchmark Quantum Monte Carlo study

The accurate description of non-covalent interactions is critical for understanding the structure, dynamics, and eventual function of biomolecules. The adenine dimer serves as a benchmark system for computational methods due to its role in nucleic acid structures and its rich conformational landscape. In this study, we employ benchmark diffusion quantum Monte Carlo (DMC) methods to investigate the relative energies and role of electron correlation on a set of adenine dimer conformations generated via a search of the potential energy landscape using the global optimizer algorithm. Relative DMC energies are compared against a wide range of density functional theory (DFT) approximation results. We find that although most of the DFT functionals perform well for low-energy structures, their accuracy varies significantly for higher-energy conformations, including stacked and T-shaped structures. A large fraction of the variation is due to the treatment of the van der Waals interaction. BLYP, B3LYP, and PBE0 significantly improve with added D4 dispersion, while the recent r2SCAN-D4 and ωB97M-V functionals show the least scatter and closest agreement with the DMC. These findings highlight the delicate nature of these interactions in biomolecular systems and provide guidance for simulations of their structure and dynamics and for the development of machine learned interatomic potentials.

Washburn, Laurel [ORNL] (ORCID:0000000324179335)↗
NASA NTRS2023

Distributions of Mesoscale Periodic Structures in the Elemental and Ionic Composition of the Solar Wind

Multiple statistical and event studies based on in situ observations have shown that the solar wind contains mesoscale (∼ 100 – 10,000 Mm) periodic structures in the proton number density. Remote observations of such structures and event studies of concurrent variations in composition have demonstrated that they can form in the solar atmosphere and be preserved while advecting outwards through the heliosphere. Viall, Kepko, and Spence (J. Geophys. Res. (Space Phys.) 113, A07101, 2008; J. Geophys. Res. (Space Phys.) 114, A01201, 2009) and Kepko, Viall, and Wolfinger (J. Geophys. Res. (Space Phys.) 125(8), e28037, 2020) have reported that periodic proton density structures preferentially occur at specific radial length scales and have published their distributions from Wind measurements near L1. Here, we conduct a statistical study of 14 years (1998 – 2011) of 12-minute composition data measured by the Solar Wind Ion Composition Spectrometer instrument aboard the Advanced Composition Explorer spacecraft. We found that the elemental and ionic composition also contain statistically significant mesoscale periodic structures and, for the first time, present occurrence distributions for elemental abundance ratios with low, intermediate, and high first ionization potentials as well as for key solar wind charge states. These distributions set important constraints on solar wind formation in general and the formation of periodic mesoscale solar wind structures specifically, as the elemental and ionic composition are known to be determined at the Sun and to not evolve during advection.

Solar wind↗
DOE OSTI2024

Deep kernel methods learn better: from cards to process optimization

Abstract The ability of deep learning methods to perform classification and regression tasks relies heavily on their capacity to uncover manifolds in high-dimensional data spaces and project them into low-dimensional representation spaces. In this study, we investigate the structure and character of the manifolds generated by classical variational autoencoder (VAE) approaches and deep kernel learning (DKL). In the former case, the structure of the latent space is determined by the properties of the input data alone, while in the latter, the latent manifold forms as a result of an active learning process that balances the data distribution and target functionalities. We show that DKL with active learning can produce a more compact and smooth latent space which is more conducive to optimization compared to previously reported methods, such as the VAE. We demonstrate this behavior using a simple cards dataset and extend it to the optimization of domain-generated trajectories in physical systems. Our findings suggest that latent manifolds constructed through active learning have a more beneficial structure for optimization problems, especially in feature-rich target-poor scenarios that are common in domain sciences, such as materials synthesis, energy storage, and molecular discovery. The Jupyter Notebooks that encapsulate the complete analysis accompany the article.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Atomistic, macromolecular model of the Populus secondary cell wall informed by solid-state NMR

Plant secondary cell walls (SCWs) are composed of a heterogeneous interplay of three major biopolymers: cellulose, hemicelluloses, and lignin. Details regarding specific intermolecular interactions and higher-order architecture of the SCW superstructure remain ambiguous. Here, we use solid-state nuclear magnetic resonance (ssNMR) measurements to infer refined details about the structural configuration, intermolecular interactions, and relative proximity of all three major biopolymers within air-dried Populus wood. To enhance the utility of these findings and enable evaluation of hypotheses in a physics-based environment in silico, the NMR observables are articulated into an atomistic, macromolecular model for biopolymer assemblies within the plant SCW. Through molecular dynamics simulation, we quantitatively evaluate several variations of atomistic models to determine structural details that are corroborated by ssNMR measurements.

09 BIOMASS FUELS↗
NASA NTRS1975

Large-scale and solar cycle variations of the solar wind

Space probe observations relevant to the determination of the large-scale, three-dimensional structure of the solar wind and its solar cycle variations are summarized. There is a pronounced decrease in the velocity spread about the average as distance from the sun increases (from 0.6 to 5 AU). A latitude variation is found for several plasma parameters, and a dependence on the phase of the solar activity cycle is demonstrated by some of the data.

Neugebauer, M.↗
NASA NTRS1980

Influence of magnetic pressure on stellar structure: A Mechanism for solar variability

A physical mechanism is proposed that couples the Sun's dynamo magnetic field to its gravitational potential energy. The mechanism involves the isotropic field pressure resulting in a lifting force on the convective envelope, thereby raising its potential energy. Decay of the field due to solar activity allows the envelop to subside and releases this energy, which can augment the otherwise steady solar luminosity. Equations are developed and applied to the Sun for several field configurations. The best estimate model suggests that uniform luminosity variations as large as 0.02% for half a sunspot cycle may occur. Brief temporal variations or the rotation of spatial structures could allow larger excursions in the energy released.

Schatten, K. H.↗
NASA NTRS1991

Probabilistic evaluation of fuselage-type composite structures

A methodology is developed to computationally simulate the uncertain behavior of composite structures. Uncertain behavior is the consequence of the random variation (scatter) of the primitive (independent random) variables at the constituent, ply, laminate and structural levels. This methodology is implemented in the IPACS (Integrated Probabilistic Assessment of Composite Structures) computer code. A fuselage-type composite structure is analyzed to demonstrate the code's capability. The probability distribution functions of structural responses are computed. Sensitivity of a given structural response to each primitive variable is also determined from the analyses.

Shiao, Michael C.↗
NASA NTRS2010

Mapping Successional Stages in a Wet Tropical Forest Using Landsat ETM+ and Forest Inventory Data

In this study, we test whether an existing classification technique based on the integration of Landsat ETM+ and forest inventory data enables detailed characterization of successional stages in a wet tropical forest site. The specific objectives were: (1) to map forest age classes across the La Selva Biological Station in Costa Rica; and (2) to quantify uncertainties in the proposed approach in relation to field data and existing vegetation maps. Although significant relationships between vegetation height entropy (a surrogate for forest age) and ETM+ data were detected, the classification scheme tested in this study was not suitable for characterizing spatial variation in age at La Selva, as evidenced by the error matrix and the low Kappa coefficient (12.9%). Factors affecting the performance of the classification at this particular study site include the smooth transition in vegetation structure between intermediate and advanced successional stages, and the low sensitivity of NDVI to variations in vertical structure at high biomass levels.

forest structure↗
DOE OSTI2021

Mirror symmetry breaking and lateral stacking shifts in twisted trilayer graphene

Here, we construct a continuum model of twisted trilayer graphene using ab initio density-functional-theory calculations, and we apply it to address twisted trilayer electronic structure. Our model accounts for moiré variation in site energies, hopping between outside layers, and hopping within layers. We focus on the role of a mirror symmetry present in ABA graphene trilayers with a middle layer twist. The mirror symmetry is lost intentionally when a displacement field is applied between layers, and unintentionally when the top layer is shifted laterally relative to the bottom layer. We calculate two band-structure characteristics that are directly relevant to transport measurements, namely the Drude weight and the weak-field Hall conductivity. We relate them via the Hall density to assess the influence of the accidental lateral stacking shifts currently present in all experimental devices on electronic properties. Finally, we comment on the role of the possible importance of accidental lateral stacking shifts for superconductivity in twisted trilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

GRAIL Refinements to Lunar Seismic Structure

A method to enhance and detect subtle seismic arrivals typically used in terrestrial seismology, is to stack seismograms that have been time shifted to the predicted arrival time of a hypothetical phase of interest. We previously applied this array processing approach to the Apollo lunar seismic data, providing the first direct constraint on the size and state of the Moon's core. The method used travel time predictions made from pre-existing estimates of the crust and mantle velocities and densities and assumed that each of the Moons layers ia a uniform shell with no lateral variation or heterogeneity. In reality the structural properties of the Moon are likely inhomogeneous and vary both laterally and with depth.

Weber, Renee C.↗
DOE OSTI2022

In situ inelastic neutron scattering of mixed CH 4 –CO 2 hydrates

An abundant source of CH 4 can be found in natural hydrate deposits. Recent demonstration of CH 4 recovery from hydrates via CO 2 exchange has revealed the potential as a fuel source that also provides a medium for carbon sequestration. It is vital to understand the structural and dynamic impacts of guest variation in CH 4 , CO 2 , and mixed hydrates and link the results to the stability of various deposits in nature, harvesting methane, and sequestering CO 2 . Molecular vibrations are examined in CH 4 , CO 2 , and mixed CH 4 -CO 2 hydrates at 5 and 190 K and Xe hydrates for comparison. Inelastic neutron scattering (INS) is an ideal spectroscopy technique to observe the dynamic modes in the hydrate structure and enclathrated CH 4 , as it is extremely sensitive to 1 H. The presence of CO 2 in hydrates tightens the lattice. It introduces more active librational modes to the host lattice, while hindering the motion of CH 4 in mixed CH 4 -CO 2 hydrate at 5 K. At 190 K, a large broadening of the CH 4 librational modes indicates disorder in the structure leading to dissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Mantle viscosity, J2 and the nontidal acceleration of Earth rotation

Recent interpretations of laser ranging for the LAGEOS satellite have rather conclusively established that the observed acceleration in the node of its orbit is just that expected to exist as a residual effect of the last deglaciation event which ended about 6000 years ago. The nontidal acceleration of rotation would be rather different than that observed if there were any significant melting of high latitude continental ice masses currently ongoing. The sensitivity of the expected nontidal acceleration to variations of several elements of the radial viscoelastic structure of the planet is explored using a new normal mode method for the computation of viscoelastic relaxation spectra. These calculations establish that the most important sensitivity is to variations in the mantle viscosity profile. Although the predicted nontidal acceleration does depend upon lithospheric thickness and on the elastic component of the radial structure, the dependence on these components of the structure is much weaker than it is upon mantle viscosity. The observed J sub 2 is therefore a particularly useful determinant of radial variations in the latter parameter.

Peltier, W. R.↗
NASA NTRS1994

Pioneer and Voyager observations of solar cycle variations in the outer heliosphere

Solar wind measurements from the Pioneer 10, Pioneer 11, and Voyager 2 spacecraft are now available through mid-1993. These measurements extend our knowledge of the outer heliosphere to heliographic latitudes that range between -10 deg and 17.5 deg, and provide insight into the variation with solar cycle of the structure of the distant solar wind. The average temperature, mass flux density, dynamic pressure, and kinetic and thermal energy flux densities varied strongly with solar cycle at the latitude of Pioneer 11 (10 deg to 17 deg N), but were almost constant in the vicinity of the solar equator. These parameters may have increased with latitude between the solar equator and 17 deg N. There was also a short-term variation in average solar wind parameters near the time of the 1986 solar minimum, when the inclination of the heliospheric current sheet dropped below the latitude of Pioneer 11.

Gazis, P. R.↗
NASA NTRSDate not supplied

Nonlinear Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites Using Mechanics of Structure Genome

The objective of this paper is to develop a micromechanics approach to homogenizing finitely deformed viscoelastic-viscoplastic composites using the mechanics of structure genome. The incremental constitutive relation for glassy polymers, formulated in the spatial configuration, is implemented in the present approach.This involves (1) pulling-back the constitutive model to the material configuration and (2)choosing the deformation gradient tensor and the first Piola–Kirchhoff stress tensor as the strain and the stress measures during homogenization, respectively. An Euler–Newton predictor–corrector method is developed for homogenization. Each step involves formulating a variational statement using the mechanics of structure genome, discretizing the statement in a finite-dimensional space, and solving the problem using an Euler/multilevel Newton method. The present approach is demonstrated by homogenizing fiber- and particle-reinforced composites undergoing uniaxial, biaxial, or shear deformation, at different stain rates.

Multi-scale modeling, High Strain Composites, Visc↗
NASA NTRS1999

Behavior and Performance on Long-Duration Spaceflights: Evidence from Analogue Environments

Analyses of data collected in Antarctica since 1963 were conducted to identify features of behavior and performance likely to occur during long-duration missions in space.The influence of mission duration and station latitude on POMS mood scores was examined in 450 American men and women who overwintered in Antarctica between 1991 and 1998. The influence of crewmember social characteristics, personality traits, interpersonal needs, and station environments on measures of behavior and performance at the end of the austral winter was examined in 657 American men who overwintered between 1963 and 1974. Both data sets were used to examine the influence of crew social structure on individual performance. Results: Seasonal variations in mood appear to be associated with the altered diurnal cycle and psychological segmentation of the mission. Concurrent measures of personality, interpersonal needs, and coping styles are better predictors of depressed mood and peer-supervisor performance evaluations than baseline measures because of the unique features of the station social and physical environments and the absence of resources typically used to cope with stress elsewhere. Individuals in crews with a clique structure report significantly more depression, anxiety, anger, fatigue and confusion than individuals in crews with a core-periphery structure. Depressed mood is inversely associated with severity of station physical environment, supporting the existence of a positive or "salutogenic" effect for individuals seeking challenging experiences in extreme environments.

Palinkas, Lawrence A.↗
NASA NTRS1996

Mars Dynamics from Earth-Based Tracking of the Mars Pathfinder Lander

Measurements of Mars' rotational variations can be conducted via Earth-based radio tracking observations of the Mars Pathfinder lander during an extended mission. Two-way range measurements between an Earth antenna and the lander will enable precise monitoring of the planet's orientation and length-of-day variation, allowing details of Mars' internal structure and global surface/atmosphere interactions to be determined with precision for the first time.

two-way↗
DOE OSTI2025

Inverse design of cellular structures with the targeted nonlinear mechanical response

Advanced additive manufacturing capabilities have enabled a transformational ability to create sophisticated cellular structures using diverse materials. By altering the topology of the unit cell, the mechanical behavior, such as the stress-strain response during compression, can be modulated. Nevertheless, identifying a printable topology within an enormous design space that would precisely deliver the targeted nonlinear material response is challenging. We propose a data-driven generative framework based on a conditional variational autoencoder (cVAE) architecture that can inverse design the cellular structure based on the intended nonlinear stress-strain response. Trained on a dataset of structure-property pairs, the cVAE learns a compact and expressive latent space that enables efficient mapping from targets to feasible geometries. Two inference modes are explored: (1) decoder-only generation, which enables the exploration of diverse designs conditioned solely on the desired mechanical response, and (2) encoder-decoder generation, which further allows for the incorporation of desired topologies, ensuring the generated structure conforms to both mechanical properties and to desired-topology constraints. The results demonstrate that the model can generate structurally plausible and mechanically accurate designs, with the predicted stress-strain curves closely matching the targets. Even under joint conditioning, the model effectively balances geometric fidelity and functional performance.

36 MATERIALS SCIENCE↗