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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

[Sources of Methane in the Boreal Region]

In determining the global methane budget the sources of methane must be balanced with the sinks and atmospheric inventory. The approximate contribution of the different methane sources to the budget has been establish showing the major terrestrial inputs as rice, wetlands, bogs, fens, and tundra. Measurements and modeling of production in these sources suggest that temperature, water table height and saturation along with substratum composition are important in controlling methane production and emission. The isotopic budget of 13 C and D/H in methane can be used as a tool to clarify the global budget. This approach has achieved success at constraining the inputs. Studies using the isotopic approach place constraints on global methane production from different sources. Also, the relation between the two biogenic production pathways, acetate fermentation and CO2 reduction, and the effect of substratum composition can be made using isotope measurements shows the relation between the different biogenic, thermogenic and anthropogenic sources of methane as a function of the carbon and hydrogen isotope values for each source and the atmosphere, tropospheric composition. Methane emissions from ponds and fens are a significant source in the methane budget of the boreal region. An initial study in 1993 and 1994 on the isotopic composition of this methane source and the isotopic composition in relation to oxidation of methane at the sediment surface of the ponds or fen was conducted as part of our BOREAS project. The isotopic composition of methane emitted by saturated anoxic sediment is dependent on the sediment composition and geochemistry, but will be influenced by in situ oxidation, in part, a function of rooted plant activity. The influence of oxidation mediated by rooted plant activities on the isotopic composition of methane is not well known and will depend on the plant type, sediment temperature, and numerous other variables. Information on this isotopic composition is important in both understanding the bio-geochemistry of the system and also in determining the regional and global inputs for the methane isotope budget. In determining the destruction of methane for balancing the atmospheric methane budget soil oxidation must be considered.

Source record↗
DOE OSTI2021

A deep learning interatomic potential developed for atomistic simulation of carbon materials

Interatomic potentials based on neural-network machine learning method have attracted considerable attention in recent years owing to their outstanding ability to balance the accuracy and efficiency in atomistic simulations. In this work, a neural-network potential (NNP) for carbon is generated to simulate the structural properties of various carbon structures. The potential is trained using a database consisting of crystalline and liquid structures obtained by the first-principles density functional theory (DFT) calculations. The developed potential accurately predicts the energies and forces in crystalline and liquid carbon structures, the energetic stability of defected graphene, and the structures of amorphous carbon as the function of density. As a result, the excellent accuracy and transferability of the NNP provide a promising tool for accurate atomistic simulations of various carbon materials with faster speed and much lower cost.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Comprehensive proteomics analysis of stressed human islets identifies GDF15 as a target for type 1 diabetes intervention

Type 1 diabetes results from the progressive loss of beta cells, a process propagated by pro-inflammatory cytokine signaling that disrupts the balance between the expression of pro- and anti-apoptotic proteins. To identify such proteins, we performed comprehensive proteomics of human pancreatic islets treated with interleukin-1ß and interferon-?, leading to the identification of 11,325 proteins, of which 387 were significantly regulated by treatment. We then tested the function of growth/differentiation factor 15 (GDF15), which was repressed by the cytokine treatment. We found that GDF15 translation was blocked during inflammation, while the addition of exogenous GDF15 inhibited interleukin-1ß/interferon-?-induced apoptosis of human islets and a human beta-cell line. Furthermore, administration of GDF15 significantly decreased insulitis in NOD mice. Our approach provides a unique resource for the identification of the human islet proteins regulated by cytokines and was effective in discovering a potential target for type 1 diabetes therapy.

Nakayasu, Ernesto S.↗
DOE OSTI2023

Molecular mechanism of biased signaling at the kappa opioid receptor

The κ-opioid receptor (KOR) has emerged as an attractive drug target for pain management without addiction, and biased signaling through particular pathways of KOR may be key to maintaining this benefit while minimizing side-effect liabilities. As for most G protein-coupled receptors (GPCRs), however, the molecular mechanisms of ligand-specific signaling at KOR have remained unclear. To better understand the molecular determinants of KOR signaling bias, we apply structure determination, atomic-level molecular dynamics (MD) simulations, and functional assays. We determine a crystal structure of KOR bound to the G protein-biased agonist nalfurafine, the first approved KOR-targeting drug. We also identify an arrestin-biased KOR agonist, WMS-X600. Using MD simulations of KOR bound to nalfurafine, WMS-X600, and a balanced agonist U50,488, we identify three active-state receptor conformations, including one that appears to favor arrestin signaling over G protein signaling and another that appears to favor G protein signaling over arrestin signaling. These results, combined with mutagenesis validation, provide a molecular explanation of how agonists achieve biased signaling at KOR.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Phase-space entropy cascade and irreversibility of stochastic heating in nearly collisionless plasma turbulence

We consider a nearly collisionless plasma consisting of a species of “test particles” in one spatial and one velocity dimension, stirred by an externally imposed stochastic electric field—a kinetic analog of the Kraichnan model of passive advection. The mean effect on the particle distribution function is turbulent diffusion in velocity space—known as stochastic heating. Accompanying this heating is the generation of fine-scale structure in the distribution function, which we characterize with the collisionless (Casimir) invariant C 2 ∝ ∫ ∫ d x d v 〈 f 2 〉 —a quantity that here plays the role of (negative) entropy of the distribution function. We find that C 2 is transferred from large scales to small scales in both position and velocity space via a phase-space cascade enabled by both particle streaming and nonlinear interactions between particles and the stochastic electric field. We compute the steady-state fluxes and spectrum of C 2 in Fourier space, with k and s denoting spatial and velocity wave numbers, respectively. In our model, the nonlinearity in the evolution equation for the spectrum turns into a fractional Laplacian operator in k space, leading to anomalous diffusion. Whereas even the linear phase mixing alone would lead to a constant flux of C 2 to high s (towards the collisional dissipation range) at every k , the nonlinearity accelerates this cascade by intertwining velocity and position space so that the flux of C 2 is to both high k and high s simultaneously. Integrating over velocity (spatial) wave numbers, the k -space ( s -space) flux of C 2 is constant down to a dissipation length (velocity) scale that tends to zero as the collision frequency does, even though the rate of collisional dissipation remains finite. The resulting spectrum in the inertial range is a self-similar function in the ( k , s ) plane, with power-law asymptotics at large k and s . Our model is fully analytically solvable, but the asymptotic scalings of the spectrum can also be found via a simple phenomenological theory whose key assumption is that the cascade is governed by a “critical balance” in phase space between the linear and nonlinear timescales. We argue that stochastic heating is made irreversible by this entropy cascade and that, while collisional dissipation accessed via phase mixing occurs only at small spatial scales rather than at every scale as it would in a linear system, the cascade makes phase mixing even more effective overall in the nonlinear regime than in the linear one. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Temperature distribution in the human body under various conditions of induced hyperthermia

A mathematical model based on heat balance equations was developed for studying temperature distribution in the human body under deep hyperthermia which is often induced in the treatment of malignant tumors. The model yields results which are in satisfactory agreement with experimental data. The distribution of temperature under various conditions of induced hyperthermia, i.e. as a function of water temperature and supply rate, is examined on the basis of temperature distribution curves in various body zones.

Korobko, O. V.↗
NASA NTRS1983

Analysis of spiral-groove face seals for liquid oxygen

Analyses and predicted performance of a 50-mm diameter, spiral-groove face seal to seal liquid oxygen at 5.17 MPa pressure, and operating at surface speeds of 183 m/s are described. The pressure-balanced spiral-groove concept is introduced that circulates spiral-groove flow independent of leakage flow. Independent flow paths preclude overheating from vaporization and consequent flow blockage. The analysis accounts for fluid turbulence and inertia, thermoelastic distortions, and dynamic response. An operating-range map was developed as a function of speed and pressure. The fluid-film analysis is summarized in the Appendix.

Shapiro, W.↗
NASA NTRS1992

GridMan: A grid manipulation system

GridMan is an interactive grid manipulation system. It operates on grids to produce new grids which conform to user demands. The input grids are not constrained to come from any particular source. They may be generated by algebraic methods, elliptic methods, hyperbolic methods, parabolic methods, or some combination of methods. The methods are included in the various available structured grid generation codes. These codes perform the basic assembly function for the various elements of the initial grid. For block structured grids, the assembly can be quite complex due to a large number of clock corners, edges, and faces for which various connections and orientations must be properly identified. The grid generation codes are distinguished among themselves by their balance between interactive and automatic actions and by their modest variations in control. The basic form of GridMan provides a much more substantial level of grid control and will take its input from any of the structured grid generation codes. The communication link to the outside codes is a data file which contains the grid or section of grid.

Eiseman, Peter R.↗
NASA NTRS1997

Timescales of Land Surface Evapotranspiration Response

Soil and vegetation exert strong control over the evapotranspiration rate, which couples the land surface water and energy balances. A method is presented to quantify the timescale of this surface control using daily general circulation model (GCM) simulation values of evapotranspiration and precipitation. By equating the time history of evaporation efficiency (ratio of actual to potential evapotranspiration) to the convolution of precipitation and a unit kernel (temporal weighting function), response functions are generated that can be used to characterize the timescales of evapotranspiration response for the land surface model (LSM) component of GCMS. The technique is applied to the output of two multiyear simulations of a GCM, one using a Surface-Vegetation-Atmosphere-Transfer (SVAT) scheme and the other a Bucket LSM. The derived response functions show that the Bucket LSM's response is significantly slower than that of the SVAT across the globe. The analysis also shows how the timescales of interception reservoir evaporation, bare soil evaporation, and vegetation transpiration differ within the SVAT LSM.

Scott, Russell↗
NASA NTRS2017

Thermal Considerations for Reducing the Cooldown and Warmup Duration of the James Webb Space Telescope OTIS Cryo-Vacuum Test

The James Webb Space Telescope (JWST), set to launch in 2018, is NASAs next-generation flagship telescope. The Optical Telescope Element (OTE) and Integrated Science Instrument Module (ISIM) contain all of the optical surfaces and instruments to capture and analyze the telescopes infrared targets. The integrated OTE and ISIM are denoted as OTIS, and will be tested as a single unit in a critical thermal-vacuum test in mid-2017 at NASA Johnson Space Centers Chamber A facility. The payload will be evaluated for workmanship and functionality in a 20K simulated flight environment during this thermal-vacuum test. However, the sheer thermal mass of the OTIS payload as well as the restrictive gradient, rate, and contamination-related constraints placed on test components precludes rapid cooldown or warmup to its steady-state cryo-balance condition. Hardware safety considerations precludes injection of helium gas for free molecular heat transfer. Initial thermal analysis predicted that transient radiative cooldown from ambient temperatures, while meeting all limits and constraints, would take 33.3 days; warmup similarly would take 28.4 days. This paper discusses methods used to reduce transition times from the original predictions through modulation of boundary temperatures and environmental conditions. By optimizing helium shroud transition rates and heater usage, as well as rigorously re-examining previously imposed constraints, savings of up to three days on cooldown and up to a week on warmup can be achieved. The efficiencies gained through these methods allow the JWST thermal test team to create faster cooldown and warmup profiles, thus reducing the overall test duration and cost, while keeping all of the required test operations.

Thermal↗
NASA NTRS2017

Thermal Considerations for Reducing the Cooldown and Warmup Duration of the James Webb Space Telescope OTIS Cryo-Vacuum Test

The James Webb Space Telescope (JWST), set to launch in 2018, is NASAs next-generation flagship telescope. The Optical Telescope Element (OTE) and Integrated Science Instrument Module (ISIM) contain all of the optical surfaces and instruments to capture and analyze the telescopes infrared targets. The integrated OTE and ISIM are denoted as OTIS, and will be tested as a single unit in a critical thermal-vacuum test in mid-2017 at NASA Johnson Space Centers Chamber A facility. The payload will be evaluated for workmanship and functionality in a 20K simulated flight environment during this thermal-vacuum test. However, the sheer thermal mass of the OTIS payload as well as the restrictive gradient, rate, and contamination-related constraints placed on test components precludes rapid cooldown or warmup to its steady-state cryo-balance condition. Hardware safety considerations precludes injection of helium gas for free molecular heat transfer. Initial thermal analysis predicted that transient radiative cooldown from ambient temperatures, while meeting all limits and constraints, would take 33.3 days; warmup similarly would take 28.4 days. This paper discusses methods used to reduce transition times from the original predictions through modulation of boundary temperatures and environmental conditions. By optimizing helium shroud transition rates and heater usage, as well as rigorously re-examining previously imposed constraints, savings of up to three days on cooldown and up to a week on warmup can be achieved. The efficiencies gained through these methods allow the JWST thermal test team to create faster cooldown and warmup profiles, thus reducing the overall test duration and cost, while keeping all of the required test operations.

JWST↗
DOE OSTI2020

Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

In this work, we present an efficient implementation of polynomial filtering methods in PARSEC, a real-space pseudopotential based Kohn–Sham density functional theory solver. The implementation described here improves upon a Chebyshev-filtered subspace iteration algorithm used in the previous version of PARSEC. We present a hybrid polynomial filtering scheme that combines Chebyshev-filtered subspace iteration and a spectrum slicing method that partitions the spectrum into several spectral slices and uses bandpass-filtered subspace iteration to compute approximate eigenpairs within each interior slice simultaneously. We describe a procedure to partition a spectrum and construct polynomial filters. We also discuss a number of practical issues such as the use of appropriate data layouts for carrying out the computation on a two-dimensional process grid and how to achieve good load balance by allocating an appropriate number of process groups to each spectral slice. Numerical examples are presented to demonstrate the effectiveness of the hybrid polynomial filtering method as well as the superior parallel scalability of spectrum slicing in comparison to that of Chebyshev-filtered subspace iteration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Advances in PFAS Monitoring and Remediation Using a Functionalized Material Approach

The growing global concerns about the effects to public health from human exposure to per- and polyfluoroalkyl substances (PFAS) motivates the development of strategies for reliable monitoring of PFAS in environmental streams, as well as for their rapid, effective removal if detected. For the continuous PFAS monitoring, an inexpensive, field-deployable, in situ sensor is urgently needed; yet the prevalent in situ techniques often struggle to strike a balance between the practical sensitivity and selectivity demands of the real world. Similarly, for effective PFAS removal, strategies for their fast, selective, and quantitative capture are desired, yet the present commercially available sorbents are unable to meet the requirements of rapid, quantitative capture of all PFAS components, and are notably inefficient in removing the more toxic smaller chains. To address these twin challenges, Pacific Northwest National Laboratory is developing strategies for improved detection and remediation of PFAS. For the rapid, selective, quantitative removal of PFAS from environmental streams, the strategy relies on designing capture probes with exclusively tailored electronic and spatial affinities for the PFAS that are able to selectively capture them from environmental streams. For the in situ detection and quantification of PFAS in complex, multicomponent matrices such as groundwater, the approach relies on the targeted capture of specific PFAS by these PFAS-specific capture probes immobilized on a platform. The platform acts as an electrode to directly measure PFAS concentration through a proportional change in electrical response upon their capture. A combination of optimization of platform design and incorporation of additional, sensitive detection modalities have allowed us to achieve detection limits as low as 0.5 ng/L for detection of PFAS compounds (compared to the 70 ng/L Health Advisory Limit of the U.S. Environmental Protection Agency).

Per- and poly-fluorinated alkyl substances (PFAS),↗
DOE OSTI2021

Traction-separation response of bilayer graphene interfaces: The role of an intercalated single atomic layer of water molecules and hydroxyl groups

Molecular dynamics simulations of the normal and shear traction-separation response of dry and wet bilayer graphene interfaces were performed. The influence of a single, atomic layer of water molecules sandwiched between graphene layers and hydroxyl functionalization on one or both layers were investigated. Hydroxyl groups provided a shielding effect during normal separation while favoring stick-slip friction under sliding conditions. The single, atomic layer of water molecules confined between hydrophilic and asymmetric hydrophobic/hydrophilic surfaces was found to ease sliding friction. The mechanisms arose from the balance between the attractive and repulsive graphene/water interactions through bridges of single water molecules between the two surfaces and the structure of the water monolayer under confinement for which an out-of-plane water/water hydrogen bond network could not be developed. The single, atomic layer of water molecules reduced the sliding friction the most when both surfaces were hydrophilic and lowered the sliding friction of the asymmetric hydrophobic/hydrophilic interfaces to that when both surfaces were hydrophobic. An optimal hydroxyl surface coverage of less than 10% may exist for efficient water lubrication, with diminishing effect with increasing number of hydroxyl groups. Finally, the findings offer a design strategy for assembling bilayer graphene interfaces with tailored friction and sliding contact properties.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Thermal design verification testing for the ATS-F and -G spacecraft.

There is a wide fluctuation in the internal power dissipation from the components within the earth viewing module (EVM). The electronic component functional reliability required for a two-to-five year mission is the most significant factor for the thermal design criteria. A mathematical thermal model of the EVM and the orbital environment is used to predict the performance of the thermal control system. Comparisons of the results obtained in chamber thermal balance tests with the data computed on the basis of the theoretical model provide the means for validating the thermal design.

Coyle, M.↗
NASA NTRS1989

Multibody dynamics: Modeling component flexibility with fixed, free, loaded, constraint, and residual modes

The assumed-modes method in multibody dynamics allows the elastic deformation of each component in the system to be approximated by a sum of products of spatial and temporal functions commonly known as modes and modal coordinates respectively. The choice of component modes used to model articulating and non-articulating flexible multibody systems is examined. Attention is directed toward three classical Component Mode Synthesis (CMS) methods whereby component normal modes are generated by treating the component interface (I/F) as either fixed, free, or loaded with mass and stiffness contributions from the remaining components. The fixed and free I/F normal modes are augmented by static shape functions termed constraint and residual modes respectively. A mode selection procedure is outlined whereby component modes are selected from the Craig-Bampton (fixed I/F plus constraint), MacNeal-Rubin (free I/F plus residual), or Benfield-Hruda (loaded I/F) mode sets in accordance with a modal ordering scheme derived from balance realization theory. The success of the approach is judged by comparing the actuator-to-sensor frequency response of the reduced order system with that of the full order system over the frequency range of interest. A finite element model of the Galileo spacecraft serves as an example in demonstrating the effectiveness of the proposed mode selection method.

Spanos, John T.↗
NASA NTRS1990

A critical evaluation of two-equation models for near wall turbulence

A variety of two-equation turbulence models,including several versions of the K-epsilon model as well as the K-omega model, are analyzed critically for near wall turbulent flows from a theoretical and computational standpoint. It is shown that the K-epsilon model has two major problems associated with it: the lack of natural boundary conditions for the dissipation rate and the appearance of higher-order correlations in the balance of terms for the dissipation rate at the wall. In so far as the former problem is concerned, either physically inconsistent boundary conditions have been used or the boundary conditions for the dissipation rate have been tied to higher-order derivatives of the turbulent kinetic energy which leads to numerical stiffness. The K-omega model can alleviate these problems since the asymptotic behavior of omega is known in more detail and since its near wall balance involves only exact viscous terms. However, the modeled form of the omega equation that is used in the literature is incomplete-an exact viscous term is missing which causes the model to behave in an asymptotically inconsistent manner. By including this viscous term and by introducing new wall damping functions with improved asymptotic behavior, a new K-tau model (where tau is identical with 1/omega is turbulent time scale) is developed. It is demonstrated that this new model is computationally robust and yields improved predictions for turbulent boundary layers.

Speziale, Charles G.↗
NASA NTRS1990

Interannual variation of seasonal means and subseasonal variability of cloud streets off the east coast of North America 1984-1987

Convection waves are a strong function of the original forcing by convection in the boundary layer. This convection can take the form of random or 2-D spatial structure. When clouds are formed as a result of 2-D boundary layer forcing, they are called cloud streets. Convective waves may be important in the global momentum balance. Global circulation models presently overestimate wind speeds in the middle and upper troposphere, and do not account for convective waves. If the hypothesis that convective waves significantly contribute to momentum transport in the troposphere is correct, then climatology of cloud streets will help understand convective waves' role in the global momentum balance. If the hypothesis is incorrect, then cloud street climatology is still useful because cloud streets show areas where large amounts of sensible and latent heat are transferred from the ocean to the atmosphere. Interannual variation of seasonal means and subseasonal variability of cloud street occurrence off the east coast of North America is examined and compared. The months of Dec., Jan., and Feb. during 1984-85, 1985-86, and 1986-87 are examined along with each season.

Rademacher, Kurt R.↗