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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 163 records · Page 9

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NASA NTRS1993

Kinetics of the Reaction C2H + O2 from 193 to 350 K Using Laser Flash Kinetic Infrared Absorption Spectroscopy

Rate coefficients for the reaction C2H + O2 are measured from 193 to 350 K by using transient absorption spectroscopy with an infrared color center laser. Ethynyl radicals are produced by pulsed laser photolysis of C2H2 in a temperature variable flow cell and a tunable color center laser probes the transient removal Of C2H ((bar-X(sup 2))Sigma(+))(0,0,0)) in absorption. The rate coefficient has a slight negative temperature dependence over the range 193-350 K which can be expressed as k(O2) = (1.5 +/- 0.3) x 10(exp -11) exp((230 +/- 36)/T) Cu cm/(Molecule.s). The lack of a pressure dependence under our experimental conditions strongly suggests that the HCCOO* complex is short lived with respect to encountering a collision and rapidly dissociates to products without competition from collisional stabilization to HCCOO or collisionally induced dissociation to reactants.

Opansky, Brian J.↗

DOE OSTI2026

Experimental protocol for phase 1 of the APARC QUOCA (QUasibiennial oscillation and Ozone Chemistry interactions in the Atmosphere) working group

The quasi-biennial oscillation (QBO) is the main mode of variability in the tropical stratosphere, influencing the predictability of other regions in the atmosphere through its teleconnections to the stratospheric polar vortices and coupling to surface tropical and extratropical variability. However, climate and forecasting models consistently underestimate QBO amplitudes in the lower stratosphere, likely contributing to their failure to simulate these teleconnections. One underexplored contributor to model biases is missing representation of ozone-radiative feedbacks, which enhance temperature variability in the lower stratosphere, particularly at periods at and greater than the QBO (>28 months). While previous studies suggest that ozone-radiative feedbacks can impact QBO periods, amplitudes and the associated secondary circulation in the lower stratosphere, the reported impacts differ widely among models and are hard to interpret due to differences in methodology. To this end, here we propose a coordinated experimental protocol – held joint between the Atmospheric Processes and their Role in Climate (APARC) Quasi-Biennial Oscillation Initiative (QBOi) and Chemistry Climate Modeling Initiative (CCMI) activities – which is aimed at assessing the coupling between stratospheric ozone, temperature and the circulation. We use the proposed experiments to define the ozone feedback on the QBO in both present-day and idealized (abrupt quadrupling of carbon dioxide) climates. While primary focus is on the QBO, the proposed protocol also enables analysis of other aspects of ozone-radiative-dynamical coupling in the atmosphere, including impacts on the Brewer-Dobson Circulation and tropospheric eddy-driven jet responses to future climate change. Here we document the scientific rationale and design of the QUOCA Phase 1 experiments, summarize the data request, and give a brief overview of participating models. Preliminary results using the NASA Goddard Institute for Space Studies E2-2 climate model are used to illustrate sensitivities to certain methodological choices.

Environmental sciences↗

NASA NTRS1992

Buckling of Thermoviscoelastic Structures Under Temporal and Spatial Temperature Variations

The problem of lateral instability of a viscoelastic in-plane loaded structure is considered in terms of thermorheolgically simple materials. As an example of a generally in-plane loaded structure, we examine the simple column under axial load: Both cyclic loading is considered (with constant or in-phase variable temperature excursions) as well as the case of constant load in the presence of thermal gradients through the thickness of the structure. The latter case involves a continuous movement of the neutral axis from the center to the colder side and then back to the center. In both cases, temperature has a very strong effect on the instability evolution, and under in-phase thermal cycling the critical loads are reduced compared to those at constant temperatures. The primary effect of thermal gradients beyond that of thermally-induced rate accelerations is occasioned by the generation of an "initial imperfection" or "structural bowing." Because the coefficient of thermal expansion tends to be large for many polymeric materials, it it may be necessary to take special care in lay-up design of composite structures intended for use under compressive loads in high-temperature applications. Finally, the implications for the temperature sensitivities of composites to micro-instability (fiber crimping) are also apparent from the results delineated here.

Tsuyuki, Richard↗

DOE OSTI2026

ZENN: A thermodynamics-inspired computational framework for heterogeneous data–driven modeling

Traditional entropy-based methods—such as cross-entropy loss in classification problems—have long been essential tools for representing the information uncertainty and physical disorder in data and for developing artificial intelligence algorithms. However, the rapid growth of data across various domains has introduced new challenges, particularly the integration of heterogeneous datasets with intrinsic disparities. To address this, we introduce a zentropy-enhanced neural network (ZENN), extending zentropy theory into the data science domain via intrinsic entropy, enabling more effective learning from heterogeneous data sources. ZENN simultaneously learns both energy and intrinsic entropy components, capturing the underlying structure of multisource data. To support this, we redesign the neural network architecture to better reflect the intrinsic properties and variability inherent in diverse datasets. We demonstrate the effectiveness of ZENN on classification tasks and energy landscape reconstructions, showing its superior generalization capabilities and robustness-particularly in predicting high-order derivatives. In image and text classification tasks, ZENN demonstrates superior generalization by introducing a learnable temperature variable that models latent multisource heterogeneity, allowing it to surpass state-of-the-art models on CIFAR-10/100, BBC News, and AG News. As a practical application in materials science, we employ ZENN to reconstruct the Helmholtz energy landscape of Fe3Pt using data generated from density functional theory and capture key material behaviors, including negative thermal expansion and the critical point in the temperature–pressure space. Overall, this work presents a zentropy-grounded framework for data-driven machine learning, positioning ZENN as a versatile and robust approach for scientific problems involving complex, heterogeneous datasets.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Numerical modeling of solidification and convection in a viscous pure binary eutectic system

The solidification and convection of the pure binary eutectic silicate system diopside-anorthite (Di-An) is numerically modeled. A mass-weighted enthalpy of fusion is used to account for the second solid phase (An) which crystallizes at the solidus temperature. Variable under-relaxation is used to aid convergence of the momentum equations in the implementation of the SIMPLER algorithm used to solve the two-dimensional continuum conservation equations. Numerical experiments of the solidification of Di80 melt show that a large temperature drop occurs across the solid and mush regions which decreases convective vigor in the liquid. Interesting compositional segregation patterns are produced during the solidification of Di80.

Oldenburg, Curtis M.↗

NASA NTRS2012

Warming Experiments Underpredict Plant Phenological Responses to Climate Change

Warming experiments are increasingly relied on to estimate plant responses to global climate change. For experiments to provide meaningful predictions of future responses, they should reflect the empirical record of responses to temperature variability and recent warming, including advances in the timing of flowering and leafing. We compared phenology (the timing of recurring life history events) in observational studies and warming experiments spanning four continents and 1,634 plant species using a common measure of temperature sensitivity (change in days per degree Celsius). We show that warming experiments underpredict advances in the timing of flowering and leafing by 8.5-fold and 4.0-fold, respectively, compared with long-term observations. For species that were common to both study types, the experimental results did not match the observational data in sign or magnitude. The observational data also showed that species that flower earliest in the spring have the highest temperature sensitivities, but this trend was not reflected in the experimental data. These significant mismatches seem to be unrelated to the study length or to the degree of manipulated warming in experiments. The discrepancy between experiments and observations, however, could arise from complex interactions among multiple drivers in the observational data, or it could arise from remediable artefacts in the experiments that result in lower irradiance and drier soils, thus dampening the phenological responses to manipulated warming. Our results introduce uncertainty into ecosystem models that are informed solely by experiments and suggest that responses to climate change that are predicted using such models should be re-evaluated.

phenology↗

NASA NTRS2000

IRIS Product Recommendations

This report presents the Applied Meteorology Unit's (AMU) evaluation of SIGMET Inc.'s Integrated Radar Information System (IRIS) Product Generator and recommendations for products emphasizing lightning and microburst tools. The IRIS Product Generator processes radar reflectivity data from the Weather Surveillance Radar, model 74C (WSR-74C), located on Patrick Air Force Base. The IRIS System was upgraded from version 6.12 to version 7.05 in late December 1999. A statistical analysis of atmospheric temperature variability over the Cape Canaveral Air Force Station (CCAFS) Weather Station provided guidance for the configuration of radar products that provide information on the mixed-phase (liquid and ice) region of clouds, between 0 C and -20 C. Mixed-phase processes at these temperatures are physically linked to electrification and the genesis of severe weather within convectively generated clouds. Day-to-day variations in the atmospheric temperature profile are of sufficient magnitude to warrant periodic reconfiguration of radar products intended for the interpretation of lightning and microburst potential of convectively generated clouds. The AMU also examined the radar volume-scan strategy to determine the scales of vertical gaps within the altitude range of the 0 C to -20 C isotherms over the Kennedy Space Center (KSC)/CCAFS area. This report present's two objective strategies for designing volume scans and proposes a modified scan strategy that reduces the average vertical gap by 37% as a means for improving radar observations of cloud characteristics in the critical 0 C to -20 C layer. The AMU recommends a total of 18 products, including 11 products that require use of the IRIS programming language and the IRIS User Product Insert feature. Included is a cell trends product and display, modeled after the WSR-88D cell trends display in use by the National Weather Service.

Short, David A.↗

NASA NTRS1977

Small monopropellant thruster contamination measurement in a high-vacuum low-temperature facility

The contamination that results from the exhaust plume of small thrusters used for attitude control maneuvers can pose severe problems for long-life satellite systems. In order to assess this type of contamination problem, analytical and experimental techniques must be developed. Mass deposition rate measurements of a representative 0.44-N thrust hydrazine thruster were made in a space simulation chamber using five appropriately placed variable-temperature quartz crystal microbalances. The mass deposition rates within the thruster plume were measured while operating the thruster over a wide range of operating parameters, including duty cycles, catalyst bed start temperatures, propellant water variation, as well as thruster aging effects. The contamination measurements were made over a temperature range of 144 to 256 K for all duty cycles. In addition, the nominal duty cycle of 100 msec on and 10 sec off was run at a temperature of 106 K. These data will make possible better prediction of deposition rates of contaminants from thrusters used in satellite systems.

Passamaneck, R. S.↗

NASA NTRS1993

Laboratory studies of low-temperature reactions of C2H with C2H2 and implications for atmospheric models of Titan

Rate coefficients for the reaction C2H + C2H2 - C4H2 + H are measured over the temperature range 170-350 K. The reactions are carried out in a temperature variable flow cell. C2H radicals are produced by pulsed laser photolysis of C2H2 and a tunable infrared color-center laser is used to probe the transient removal of C2H in absorption to derive the rate coefficients. The rate coefficient is obtained and shown to be independent of temperature over the range 170-350 K. The reaction studied is of central importance for models of the photochemistry of the atmospheres of the outer planets, in particular for the satellite Titan, and the implications of the present results for these models are discussed.

Pedersen, Jens O. P.↗

NASA NTRSDate not supplied

Comparison of INP Parameterizations for Dust Minerals in Climatological Simulations With a Global Model

The effect of aerosol particles on ice nucleation and, in turn, the formation of ice and mixed phase clouds is recognized as one of the largest sources of uncertainty in weather and climate prediction. We utilize an improved sectional dust module in NASA GISS Earth System ModelE2.1, which distinguishes eight different mineral species and accretions between iron oxides and the other minerals. Simulations over a period of 20 years have been carried out with this model, and the mineral fields and other model variables (temperature, relative humidity) are used to calculate the ice nucleating particle (INP) number concentration, applying time-independent and time-dependent INP parameterizations, such as active site parameterization and water activity based immersion freezing model (ABIFM). We study how the dependence of the parameterizations on different model variables affects the mean INP number concentration. The sensitivity of the INP number concentration to fundamental dust properties such as emitted mineral size distributions and mixing state between minerals is also investigated. Results show that the sensitivity of the total INP number concentration to the emitted dust size distribution is rather small, but the sensitivity over the whole size range obscures offsetting differences in the magnitude and the sign of the sensitivity between smaller and larger particles.

INP Parameterizations↗

DOE OSTI2025

Assessing the climate impact of an improved volcanic sulfate aerosol representation in E3SM

Accurately simulating historical surface temperature variations is essential for evaluating climate models, yet many struggle to reproduce the mid-20th-century temperature trends associated with significant volcanic eruptions. This study examines the impact of volcanic sulfate aerosol representation on these biases using the Energy Exascale Earth System Model (E3SM). The standard CMIP6 protocol prescribes volcanic forcing through radiative perturbations, omitting volcanic aerosol–cloud interactions (VACIs). Here, we implement an emission-based approach with an updated volcanic eruption inventory that directly incorporates volcanic sulfur dioxide (SO 2 ) emissions, enabling a more process-based representation of volcanic forcing. This approach leads to improved surface temperature variability and a modest reduction in cold biases between 1940 and 1980 compared to the CMIP6 setup. Additionally, we assess cloud property responses to a more realistic volcanic sulfate aerosol representation, which weakens cloud-induced cooling during periods of lower volcanic activity. However, despite these refinements, a significant temperature cold bias remains, indicating that further improvements in atmospheric chemistry, aerosol microphysics, cloud processes, and model parameterizations are needed to fully resolve this issue in E3SM.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Influences of Alkali Metal Cation Interactions on N2 Coordination to Iron(I) Beta-Diketiminate Complexes in Electrolyte Solutions

N2 functionalization reactions often use stable, isolable N2-bound complexes and low temperatures or highly activated reagents. However, little work has focused on systems where N2 binds weakly, and the N2 binding equilibrium can be modulated. Here, we describe analysis of surprising trends in alkali metal cation solvation on the formation of an anionic iron(I) beta-diketiminate complex and the subsequent N2 binding equilibrium. Variable temperature UV-vis spectroscopy shows that increased ionic strength in the coordinating solvent tetrahydrofuran promotes N2 coordination. Additionally, less solvated alkali metal cations in noncoordinating 2-methyltetrahydrofuran (MeTHF) stabilize N2 coordination, likely through the formation of contact ion pairs in solution that have enhanced N2 binding. Ionic strength has little effect on the energetics of N2 coordination to these proposed contact ion pairs in MeTHF. When the electrochemical analysis is done at –78 °C, there is an irreversible reduction of iron(II) and an anodically shifted oxidation, which is attributed to the formation of the spectroscopically observed N2 complex. Finally, bulk electrolysis is used to verify the electrochemical formation of the N2-bound anionic iron(I) complex. These studies demonstrate a new strategy for promoting N2 coordination by changing solution properties, which is relevant to homogeneous electrochemical N2 reduction methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Thermostructural Analysis of Carbon Cloth Phenolic Material Tested at the Laser Hardened Material Evaluation Laboratory

RSRM nozzle liner components have been analyzed and tested to explore the occurrence of anomalous material performance known as pocketing erosion. Primary physical factors that contribute to pocketing seem to include the geometric permeability, which governs pore pressure magnitudes and hence load, and carbon fiber high temperature tensile strength, which defines a material limiting capability. The study reports on the results of a coupled thermostructural finite element analysis of Carbon Cloth Phenolic (CCP) material tested at the Laser Hardened Material Evaluation Laboratory (the LHMEL facility). Modeled test configurations will be limited to the special case of where temperature gradients are oriented perpendicular to the composite material ply angle. Analyses were conducted using a transient, one-dimensional flow/thermal finite element code that models pore pressure and temperature distributions and in an explicitly coupled formulation, passes this information to a 2-dimensional finite element structural model for determination of the stress/deformation behavior of the orthotropic fiber/matrix CCP. Pore pressures are generated by thermal decomposition of the phenolic resin which evolve as a multi-component gas phase which is partially trapped in the porous microstructure of the composite. The nature of resultant pressures are described by using the Darcy relationships which have been modified to permit a multi-specie mass and momentum balance including water vapor condensation. Solution to the conjugate flow/thermal equations were performed using the SINDA code. Of particular importance to this problem was the implementation of a char and deformation state dependent (geometric) permeability as describing a first order interaction between the flow/thermal and structural models. Material property models are used to characterize the solid phase mechanical stiffness and failure. Structural calculations were performed using the ABAQUS code. Iterations were made between the two codes involving the dependent variables temperature, pressure and across-ply strain level. Model results comparisons are made for three different surface heat rates and dependent variable sensitivities discussed for the various cases.

Clayton, J. Louie↗

DOE OSTI2024

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

Dynamical and Chemical Behavior of the Lower Stratosphere and Interactions with the Troposphere

Equivalent-barotropic calculations, in tandem with Lagrangian analyses, reveal how changes of total ozone follow from vertical and horizontal transport by planetary waves. Those calculations also throw light on how diabatic motions comprising the Brewer-Dobson circulation develop from quasi-horizontal advection by planetary waves. Potential temperature along a material surface indicates organized subsidence inside the polar-night vortex, resembling tracer observations from UARS. Lagrangian histories illustrate that this sinking motion follows in large part from parcels being driven out of thermodynamic equilibrium by planetary waves, especially at high latitudes. Irreversible heat transfer then produces a net drift of air across isentropic surfaces as parcels orbit about the displaced vortex. By driving mean-meridional overturning in the stratosphere, this downward drift is ultimately responsible for transferring ozone from the tropics to the extratropical lower stratosphere. It also introduces horizontal structure into the distribution of total ozone, which surfaces clearly in ozone trends. High-resolution global cloud imagery constructed from 6 satellites simultaneously observing the Earth was used to investigate the spectrum of equatorial waves generated by tropical convection and propagating vertically into the stratosphere. The results indicate that temperature variability is dominated by planetary-scale equatorial waves like the Kelvin mode, which agrees with satellite observations of the tropical stratosphere. However, the Kelvin mode accounts for only about 30 - 50% of the eastward momentum flux radiating into the stratosphere, the remainder coming from gravity waves. An algorithm was developed to determine 3-dimensional atmospheric motion from satellite tracer measurements. Based on Lagrangian constraints, the algorithm circumvents limitations of the traditional scheme for inferring motion from temperature measurements and determines the circulation in the tropics as reliably as elsewhere. A study of deep convection revealed that the highest towers (those penetrating into stratospheric air and controlling tropopause height and composition through convective mixing) occur in close association with the diurnal cycle of convection. Clouds colder than 220 K develop almost entirely in association with the diurnal cycle of convection over tropical landmasses and substantially in association with it even over maritime regions.

Salby, Murry L.↗

NASA NTRS2015

Statistical Analysis of Large Simulated Yield Datasets for Studying Climate Effects

Many studies have been carried out during the last decade to study the effect of climate change on crop yields and other key crop characteristics. In these studies, one or several crop models were used to simulate crop growth and development for different climate scenarios that correspond to different projections of atmospheric CO2 concentration, temperature, and rainfall changes (Semenov et al., 1996; Tubiello and Ewert, 2002; White et al., 2011). The Agricultural Model Intercomparison and Improvement Project (AgMIP; Rosenzweig et al., 2013) builds on these studies with the goal of using an ensemble of multiple crop models in order to assess effects of climate change scenarios for several crops in contrasting environments. These studies generate large datasets, including thousands of simulated crop yield data. They include series of yield values obtained by combining several crop models with different climate scenarios that are defined by several climatic variables (temperature, CO2, rainfall, etc.). Such datasets potentially provide useful information on the possible effects of different climate change scenarios on crop yields. However, it is sometimes difficult to analyze these datasets and to summarize them in a useful way due to their structural complexity; simulated yield data can differ among contrasting climate scenarios, sites, and crop models. Another issue is that it is not straightforward to extrapolate the results obtained for the scenarios to alternative climate change scenarios not initially included in the simulation protocols. Additional dynamic crop model simulations for new climate change scenarios are an option but this approach is costly, especially when a large number of crop models are used to generate the simulated data, as in AgMIP. Statistical models have been used to analyze responses of measured yield data to climate variables in past studies (Lobell et al., 2011), but the use of a statistical model to analyze yields simulated by complex process-based crop models is a rather new idea. We demonstrate herewith that statistical methods can play an important role in analyzing simulated yield data sets obtained from the ensembles of process-based crop models. Formal statistical analysis is helpful to estimate the effects of different climatic variables on yield, and to describe the between-model variability of these effects.

climate↗

NASA NTRS2000

Long-term Global Morphology of Gravity Wave Activity Using UARS Data

This quarter was largely devoted to a detailed study of temperature data acquired by the Cryogenic Limb Array Etalon Spectrometer (CLAES) on UARS. Our analysis used the same sequence of methods that have been developed, tested and refined on a more limited subset of temperature data acquired by the CRISTA instrument. We focused on a limited subset of our reasoning that geographical and vertical trends in the small-scale temperature variability could be compared with similar trends observed in November 1994 by the CRISTA-SPAS satellite. Results, backed up with hindcasts from the Mountain Wave Forecast Model (MWFM), reveal strong evidence of mountain waves, most persuasively in the Himalayas on 16-17 November, 1992. These CLAES results are coherent over the 30-50 km range and compare well with MWFM hindcasts for the same period. This constitutes, we believe, the first clear evidence that CLAES explicitly resolved long wavelength gravity waves in its CO2 temperature channel. A series of other tasks, related to mesoscale modeling of mountain waves in CRISTA data and fitting of ground-based and HRDI data on global scales, were seen through to publication stage in peer-reviewed journals.

Eckermann, Stephen D.↗

NASA NTRS2005

Temperature Dependence and Recoil-free Fraction Effects in Olivines Across the Mg-Fe Solid Solution

Olivine and pyroxene are the major ferromagnesian minerals in most meteorite types and in mafic igneous rocks that are dominant at the surface of the Earth. It is probable that they are the major mineralogical components at the surface of any planetary body that has undergone differentiation processes. In situ mineralogical studies of the rocks and soils on Mars suggest that olivine is a widespread mineral on that planet s surface (particularly at the Gusev site) and that it has been relatively unaffected by alteration. Thus an understanding of the characteristics of Mossbauer spectra of olivine is of great importance in interpreting MER results. However, variable temperature Mossbauer spectra of olivine, which are needed to quantify recoil-free fraction effects and to understand the temperature dependence of olivine spectra, are lacking in the literature. Thus, we present here a study of the temperature dependence and recoil-free fraction of a series of synthetic olivines.

Sklute, E. C.↗