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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Bayesian Physics Informed Spatio-Temporal Network for Streamflow Data Imputation

Reliable reconstruction of incomplete streamflow records is critical for improving hydrological forecasting, flood preparedness, and water resource management. However, large observational gaps and uncertainties in governing physical parameters limit the accuracy of traditional statistical and machinelearning imputation frameworks. To address these challenges, we develop a Bayesian Physics-Informed Spatio-Temporal Network (BPI-STNet) that jointly captures spatial and temporal dependencies while enforcing hydrologic consistency through embedded physical constraints. The framework integrates a GraphSAGE-LSTM architecture to model spatial connectivity across gauges and temporal flow dynamics, coupled with a Bayesian update mechanism to estimate uncertain parameters in a simplified water-balance framework. Unlike conventional physics-informed networks that rely on sampling-based posterior estimation, BPI-STNet derives an analytic solution to the inverse problem, allowing closed-form Bayesian updates of uncertain parameters Λ={α,β,k} using Gaussian priors and likelihoods. Applied to daily observations from the Susquehanna River Basin (1980-2022), BPI-STNet achieves substantial improvements over a purely data-driven RGNN baseline, which reduced RMSE by 23 % and MAE by 9 %, and achieving an average NSE values up to 0.96. The results demonstrate that coupling Bayesian inference with physics-informed learning yields physically consistent, uncertainty-aware reconstructions that preserve the temporal persistence and statistical distribution of observed flows. The proposed framework establishes a generalizable paradigm for data-sparse hydrologic systems where both data fidelity and physical interpretability are essential.

Krishnan Kutty Ambika, Anukesh [ORNL] (ORCID:00000↗
DOE OSTI2021

Atomistic Mechanics of Torn Back Folded Edges of Triangular Voids in Monolayer WS 2

Triangular nanovoids in 2D materials transition metal dichalcogenides have vertex points that cause stress concentration and lead to sharp crack propagation and failure. Here, the atomistic mechanics of back folding around triangular nanovoids in monolayer WS 2 sheets is examined. Combining atomic-resolution images from annular dark-field scanning transmission electron microscopy with reactive molecular modelling, it is revealed that the folding edge formation has statistical preferences under geometric conditions based on the orientation mismatch. It is further investigated how loading directions and strong interlayer friction, interplay with WS 2 lattice's crack preference, govern the deformation and fracture pattern around folding edges. Finally, these results provide fundamental insights into the combination of fracture and folding in flexible monolayer crystals and the resultant Moiré lattices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exclusive J/$\psi$ detection and physics with ECCE

The EIC Comprehensive Chromodynamics Experiment (ECCE) detector has been recommended as a reference design for the proposed Electron-Ion Collider (EIC) program. Here, this paper presents simulation studies of exclusive J/$\psi$ detection and selected physics impact results in EIC using the projected ECCE detector concept. Exclusive quarkonium photoproduction is one of the most popular processes in EIC, which has a large cross section and a simple final state. Due to the gluonic nature of the exchange Pomeron, this process can be related to the gluon distributions in the nucleus. Preliminary results estimate the excellent statistics benefited from the large cross section of J/$\psi$ photoproduction and superior performance of ECCE detector concept. The precise measurement of exclusive J/$\psi$ photoproduction at EIC will help us to more deeply understand nuclear gluon distributions, near threshold production mechanism and nucleon mass structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Nonmonotonic effect of chemical heterogeneity on interfacial crack growth at high-angle grain boundaries in Fe-Ni-Cr alloys

Here, an intermittent pattern is observed in the modeling of interfacial cyclic-loading crack growth at high-angle grain boundaries in ternary Fe-Ni-Cr alloys. Different from conventional wisdom of stress-intensity factor, the abrupt crack advances are found driven by extreme value statistics—namely, the aggregation of atoms with most compressive residual stresses. In addition, inherently non-affine atomic stress fluctuations are discovered, and the fluctuations peak at intermediate level of chemical heterogeneity, causing the fastest crack growth. Implications of such nonmonotonic mechanism in regard to the origin of intermediate-temperature embrittlement phenomena are also discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Prediction and monitoring of clear air turbulence: An evaluation of the applicability of the rawinsonde system

The applicability of rawinsonde data for either detection or prediction of clear air turbulence is discussed. The mechanism currently believed responsible for the development of CAT is reviewed. Since previous studies determined that the most significant factor for the existence of turbulent layers is the magnitude of the vertical shear, certain theoretically derived shear criteria was applied to statistical and diagnostic comparisons of rawinsonde and Jimsphere/Jimsonde conjunctive vertical profiles. It is determined that the Rawinsonde system cannot reliably be used as a CAT detector in a single-station sense.

Keller, J. L.↗
NASA NTRS1982

Thematic mapper data quality and performance assessment in renewable resource/agricultural remote sensing

A "quick look" investigation of the initial LANDSAT-4, thematic mapper (TM) scene received from Goddard Space Flight Center was performed to gain early insight into the characteristics of TM data. The initial scene, containing only the first four bands of the seven bands recorded by the TM, was acquired over the Detroit, Michigan, area on July 20, 1982. It yielded abundant information for scientific investigation. A wide variety of studies were conducted to assess all aspects of TM data. They ranged from manual analyses of image products to detect obvious optical, electronic, or mechanical defects to detailed machine analyses of the digital data content for evaluation of spectral separability of vegetative/nonvegetative classes. These studies were applied to several segments extracted from the full scene. No attempt was made to perform end-to-end statistical evaluations. However, the output of these studies do identify a degree of positive performance from the TM and its potential for advancing state-of-the-art crop inventory and condition assessment technology.

Erickson, J. D.↗
NASA NTRS1982

Microwave remote sensing: Active and passive. Volume 2 - Radar remote sensing and surface scattering and emission theory

The fundamental principles of radar backscattering measurements are presented, including measurement statistics, Doppler and pulse discrimination techniques, and associated ambiguity functions. The operation of real and synthetic aperture sidelooking airborne radar systems is described, along with the internal and external calibration techniques employed in scattering measurements. Attention is given to the physical mechanisms responsible for the scattering emission behavior of homogeneous and inhomogeneous media, through a discussion of surface roughness, dielectric properties and inhomogeneity, and penetration depth. Simple semiempirical models are presented. Theoretical models involving greater mathematical sophistication are also given for extended ocean and bare soil surfaces, and the more general case of a vegetation canopy over a rough surface.

Ulaby, F. T.↗
NASA NTRS1983

Low cycle fatigue behavior of aluminum/stainless steel composites

Composites consisting of an aluminum matrix reinforced with various volume fractions of stainless steel wire were fabricated by hot die pressing under various conditions of temperature, time, and pressure. The composites were tested in plane bending to complete fracture under cycle loading, and the results were analyzed on a computer to obtain a statistically valid mathematical relationship between the low-cycle fatigue life and the fiber volume fraction of the composite. The fractured surfaces of the composites were examined by scanning electron microscopy to identify the characteristic features of fatigue damage. Fatigue damage mechanisms are proposed and discussed.

Bhagat, R. B.↗
NASA NTRS1984

Methods for assessing the structural reliability of brittle materials

Failure from contact-induced surface flaws is considered along with controlled indentation flaws for construction of toughness and fatigue master maps, fatigue properties of ceramics with natural and controlled flaws, and a statistical analysis of size and stress state effects on the strength of an alumina ceramic. Attention is also given to dynamic and static fatigue of a machinable glass ceramic, the effect of multiregion crack growth on proof testing, and a fracture mechanics analysis of defect sizes. Other topics explored are related to the effect of temperature and humidity on delayed failure of optical glass fibers, subthreshold indentation flaws in the study of fatigue properties of ultrahigh-strength glass, the lifetime prediction for hot-pressed silicon nitride at high temperatures, static fatigue in high-performance ceramics, and requirements for flexure testing of brittle materials.

Freiman, S. W.↗
NASA NTRS1985

Sea surface temperature anomalies, planetary waves, and air-sea feedback in the middle latitudes

Current analytical models for large-scale air-sea interactions in the middle latitudes are reviewed in terms of known sea-surface temperature (SST) anomalies. The scales and strength of different atmospheric forcing mechanisms are discussed, along with the damping and feedback processes controlling the evolution of the SST. Difficulties with effective SST modeling are described in terms of the techniques and results of case studies, numerical simulations of mixed-layer variability and statistical modeling. The relationship between SST and diabatic heating anomalies is considered and a linear model is developed for the response of the stationary atmosphere to the air-sea feedback. The results obtained with linear wave models are compared with the linear model results. Finally, sample data are presented from experiments with general circulation models into which specific SST anomaly data for the middle latitudes were introduced.

Frankignoul, C.↗
NASA NTRS1998

The NASA Low-Pressure Turbine Flow Physics Program

An overview of the NASA Lewis Low-Pressure Turbine (LPT) Flow Physics Program will be presented. The program was established in response to the aero-engine industry's need for improved LPT efficiency and designs. Modern jet engines have four to seven LPT stages, significantly contributing to engine weight. In addition, there is a significant efficiency degradation between takeoff and cruise conditions, of up to 2 points. Reducing the weight and part count of the LPT and minimizing the efficiency degradation will translate into fuel savings. Accurate prediction methods of LPT flows and losses are needed to accomplish those improvements. The flow in LPT passages is at low Reynolds number, and is dominated by interplay of three basic mechanisms: transition, separation and wake interaction. The affecting parameters traditionally considered are Reynolds number, freestream turbulence intensity, wake frequency parameter, and the pressure distribution (loading). Three-dimensional effects and additional parameters, particularly turbulence characteristics like length scales, spectra and other statistics, as well as wake turbulence intensity and properties also play a role. The flow of most interest is on the suction surface, where large losses are generated as the flow tends to separate at the low Reynolds numbers. Ignoring wakes, a common flow scenario, there is laminar separation, followed by transition on the separation bubble and turbulent reattachment. If transition starts earlier the separation will be eliminated and the boundary layer will be attached leading to the well known bypass transition issues. In contrast, transition over a separation bubble is closer to free shear layer transition and was not investigated as well, particularly in the turbine environment. Unsteadiness created by wakes complicates the picture. Wakes induce earlier transition, and the calmed regions trailing the induced turbulent spots can delay or eliminate separation via shear stress modification. Three-dimensional flow physics and geometry will have strong effects. Altogether a very complex and challenging problem emerges. The objective of the program is to provide improved models and physical understanding of the complex flow, which are essential for accurate prediction of flow and losses in the LPT. Experimental, computational and analytical work as complementing and augmenting approaches are used. The program involves industry, universities and research institutes, and other government laboratories. It is characterized by strong interaction among participants, quick dissemination of results, and responsiveness to industry's needs. The presentation will describe the work elements. Highlighting some activities in progress are experiments on simulated blade suction surface in low-speed wind tunnels, on curved wall, and on a flat-plate, both with pressure gradient. In the area of computation, assessment of existing models is performed using RANS (Reynolds Averaged Navier Stokes) simulations. Laminar flow DNS was completed. Analytical studies of instability and receptivity in attached and separated flows were started. In the near future the program is moving to include wake effects and development of improved modeling. Experimental work in preparation stages are: (1) Addition of wakes to the curved tunnel experiment; (2) Low-speed rotating rig experiment on GE90 engine LPT; and (3) Transonic cascade. In the area of computation, it is expected to move from model assessment towards development of improved models. In addition, a new project of Large Eddy Simulation (LES) of LPT is to begin and will provide numerical data bases. It is planned to implement the emerging improved models in a multistage turbomachinery code and to validate against the GE90 engine LPT.

Ashpis, David E.↗
NASA NTRS2002

Skeletal Phenotype of Transgenic Mice Expressing the Beta1 Integrin Cytoplasmic Tail In Osteoblasts

To define the physiologic role of beta1 integrin in bone formation and mechanical loading, transgenic mice were generated by expressing the cytoplasmic tall and transmembrane domain of Beta1 integrin under the control of the osteocalcin promoter. In cultured cells, this truncated fragment of Beta1 can act as a dominant negative. Previously, the matrix of calvariae was shown to be abnormal in transgenic (TG) compared to wildtype (WT) mice. In this study, we analyzed appendicular bone in TG and WT, male and female mice at 14, 35, 63, 90 and 365 days old (n=8-12/gp). To assess beta1 integrin function in mechanical loading, a pilot study using hindlimb unloading by tail suspension was performed. 35d old TG and WT females were hindlimb unloaded for 4 wks (n=3-5). Body mass, bone mineral content, histomorphometric (distal femur) and biomechanical parameters were analyzed. Statistical significance (P less than.05) was defined by ANOVA using the Tukey-Kramer post-hoc test. We confirmed transgene expression by immunoprecipitating then immunoblotting bone lysates using an antibody against the beta1 tail. Body masses of TG mice at 63, 90 and 365d old were greater (16-25%) than WT. Some TG female mice at 365d appeared obese; mean abdominal fat mass was 415% greater in TG than WT mice. Tibiae were longer (5-7%) in TG than WT mice at 63 and 90d. Tibial mineral mass of 35d males was 7% lower in TG than WT mice, but at 63d was 21% higher. The % osteoblast surface in 35d TG mice was 20% higher than WT, and at 63d was 17% lower, while % osteoclast surface did not differ. In 365d mice, cancellous bone volume (125%) and endocortical mineral apposition rate (40%) were greater in TG than WT males but not females. In WT mice, hindlimb unloading caused a reduction in mineral mass of tibiae (-20%) and lumbar vertebrae (-22%) relative to normally loaded controls. Surprisingly, hindlimb unloading also caused a relative reduction (-13%) in humerus mass. The effects of hindlimb unloading on tibia and humerus mass were less obvious in TG than in WT mice. Since hindlimb unloading caused skeletal changes in both loaded and unloaded bones, systemic changes may contribute to bone responses observed using this animal model. In conclusion, transgene expression resulted in marked metabolic changes during growth and in the aged female. Our results demonstrate that expression of the Beta1 integrin cytoplasmic tail in vivo causes gender- and age-specific changes in select morphometric parameters, bone length, and bone mass.

Globus, R. K.↗
NASA NTRS1981

OSO 8 observational limits to the acoustic coronal heating mechanism

An improved analysis of time-resolved line profiles of the C IV resonance line at 1548 A has been used to test the acoustic wave hypothesis of solar coronal heating. It is shown that the observed motions and brightness fluctuations are consistent with the existence of acoustic waves. Specific account is taken of the effect of photon statistics on the observed velocities, and a test is devised to determine whether the motions represent propagating or evanescent waves. It is found that on the average about as much energy is carried upward as downward such that the net acoustic flux density is statistically consistent with zero. The statistical uncertainty in this null result is three orders of magnitue lower than the flux level needed to heat the corona.

Bruner, E. C., Jr.↗
DOE OSTI2022

Rapid Allylic 1,6 H-Atom Transfer in an Unsaturated Criegee Intermediate

Here, a novel allylic 1,6 hydrogen-atom-transfer mechanism is established through infrared activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular decay to hydroxyl (OH) radical products. A new precursor, Z/E -1,3-diiodobut-1-ene, is synthesized and photolyzed in the presence of oxygen to generate anew four-carbon Criegee intermediate with extended conjugation across the vinyl and carbonyl oxide groups that facilitates rapid allylic 1,6 H-atom transfer. A low-energy reaction pathway involving isomerization of 2-butenal oxide from a lower-energy ( tZZ ) conformer to a higher-energy ( cZZ ) conformer followed by 1,6 hydrogen transfer via a seven-membered ring transition state is predicted theoretically and shown experimentally to yield OH products. The low-lying ( tZZ ) conformer of 2-butenaloxide is identified based on computed an harmonic frequencies and intensities of its conformers. Experimental IR action spectra recorded in the fundamental CH stretch region with OH product detection by UV laser-induced fluorescence reveal a distinctive IR transition of the low-lying ( tZZ ) conformer at 2996 cm -1 that results in rapid unimolecular decay to OH products. Statistical RRKM calculations involving a combination of conformational isomerization and unimolecular decay via 1,6 H-transfer yield an effective decay rate k eff ( E ) on the order of 10 8 s -1 at ca. 3000 cm -1 in good accord with the experiment. Unimolecular decay proceeds with significant enhancement due to quantum mechanical tunneling. A rapid thermal decay rate of ca. 10 6 s -1 is predicted by master-equation modeling of 2-butenal oxide at 298 K, 1 bar. This novel unimolecular decay pathway is expected to increase the nonphotolytic production of OH radicals upon alkene ozonolysis in the troposphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Carbon nanotube (CNT) metal composites exhibit greatly reduced radiation damage

Radiation damage of structural materials leads to mechanical property degradation, eventually inducing failure. Secondary-phase dispersoids or other radiation defect sinks are often added to materials to boost their radiation resistance. We demonstrate that a metal composite made by adding 1D carbon nanotubes (CNTs) to aluminum (Al) exhibits superior radiation resistance. In situ ion irradiation with transmission electron microscopy (TEM) and atomistic simulations together reveal the mechanisms of rapid defect migration to CNTs, facilitating defect recombination and enhancing radiation tolerance. The origin of this effect is an evolving stress gradient in the Al matrix resulting from CNT transformation under irradiation, and the stability of resulting carbides. Extreme value statistics of large defect behavior in our simulations highlight the role of CNTs in reducing accumulated damage. Furthermore, this approach to controlling defect migration represents a promising opportunity to enhance the radiation resistance of nuclear materials without detrimental effects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electronic structure and optical properties of quantum crystals from first principles calculations in the Born–Oppenheimer approximation

In this work, we develop a formalism to accurately account for the renormalization of the electronic structure due to quantum and thermal nuclear motions within the Born–Oppenheimer approximation. We focus on the fundamental energy gap obtained from electronic addition and removal energies from quantum Monte Carlo calculations in either the canonical or grand-canonical ensembles. The formalism applies as well to effective single electron theories such as those based on density functional theory. We show that the electronic (Bloch) crystal momentum can be restored by marginalizing the total electron–ion wave function with respect to the nuclear equilibrium distribution, and we describe an explicit procedure to establish the band structure of electronic excitations for quantum crystals within the Born–Oppenheimer approximation. Based on the Kubo–Greenwood equation, we discuss the effects of nuclear motion on optical conductivity. Our methodology applies to the low temperature regime where nuclear motion is quantized and, in general, differs from the semi-classical approximation. We apply our method to study the electronic structure of C2/c-24 crystalline hydrogen at 200 K and 250 GPa and discuss the optical absorption profile of hydrogen crystals at 200 K and carbon diamond at 297 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states

We report molecular-orbital-based machine learning (MOB-ML) provides a general framework for the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. The application of Nesbet’s theorem makes it possible to recast a typical extrapolation task, training on correlation energies for small molecules and predicting correlation energies for large molecules, into an interpolation task based on the properties of orbital pairs. We demonstrate the importance of preserving physical constraints, including invariance conditions and size consistency, when generating the input for the machine learning model. Numerical improvements are demonstrated for different datasets covering total and relative energies for thermally accessible organic and transition-metal containing molecules, non-covalent interactions, and transition-state energies. MOB-ML requires training data from only 1% of the QM7b-T dataset (i.e., only 70 organic molecules with seven and fewer heavy atoms) to predict the total energy of the remaining 99% of this dataset with sub-kcal/mol accuracy. This MOB-ML model is significantly more accurate than other methods when transferred to a dataset comprising of 13 heavy atom molecules, exhibiting no loss of accuracy on a size intensive (i.e., per-electron) basis. It is shown that MOB-ML also works well for extrapolating to transition-state structures, predicting the barrier region for malonaldehyde intramolecular proton-transfer to within 0.35 kcal/mol when only trained on reactant/product-like structures. Finally, the use of the Gaussian process variance enables an active learning strategy for extending the MOB-ML model to new regions of chemical space with minimal effort. We demonstrate this active learning strategy by extending a QM7b-T model to describe non-covalent interactions in the protein backbone–backbone interaction dataset to an accuracy of 0.28 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗