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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Hydropower facility as an Energy Water Signal Processor

In recent times, various efforts have been made to address the challenge of adequately representing hydropower systems in modeling frameworks, accounting for the lack of data to represent the multiple constraints in hydropower operation. This research is a pilot data-driven methodology for characterizing, classifying, and comparing the water-to-energy and energy-to-water signal transformations that hydropower facilities as signal processors accomplish. In this study, a Box Jenkins transfer function/noise model is used to identify the relationship between reservoir inflows and outflows. For examining the feasibility of this methodology, 5-minute fleet data for five storage and five run-of-river facilities was provided by the Tennessee Valley Authority (TVA) and transfer function models are developed. The influence of past inflow and outflow values on the current outflow decisions was investigated and summarized by examining the results of Box Jenkins methodology. Finally, dominance analysis was introduced to add value to the Box Jenkins model results and provide different stakeholders with a set of concepts to convey the functionality of hydropower.

13 HYDRO ENERGY↗
DOE OSTI2016

Quantum and classical behavior in interacting bosonic systems

It is understood that in free bosonic theories, the classical field theory accurately describes the full quantum theory when the occupancy numbers of systems are very large. However, the situation is less understood in interacting theories, especially on time scales longer than the dynamical relaxation time. Recently there have been claims that the quantum theory deviates spectacularly from the classical theory on this time scale, even if the occupancy numbers are extremely large. Furthermore, it is claimed that the quantum theory quickly thermalizes while the classical theory does not. The evidence for these claims comes from noticing a spectacular difference in the time evolution of expectation values of quantum operators compared to the classical micro-state evolution. If true, this would have dramatic consequences for many important phenomena, including laboratory studies of interacting BECs, dark matter axions, preheating after inflation, etc. In this work we critically examine these claims. We show that in fact the classical theory can describe the quantum behavior in the high occupancy regime, even when interactions are large. The connection is that the expectation values of quantum operators in a single quantum micro-state are approximated by a corresponding classical ensemble average over many classical micro-states. Furthermore, by the ergodic theorem, a classical ensemble average of local fields with statistical translation invariance is the spatial average of a single micro-state. So the correlation functions of the quantum and classical field theories of a single micro-state approximately agree at high occupancy, even in interacting systems. Furthermore, both quantum and classical field theories can thermalize, when appropriate coarse graining is introduced, with the classical case requiring a cutoff on low occupancy UV modes. We discuss applications of our results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1973

Decay time of type 3 solar bursts

Type 3 solar bursts observed by OGO-5, below 600 kHz, were analyzed. Decay times were measured, and collisional decay times were computed for distances out to 1 AU. By fitting power functions to the computed and observed decay times, and using local plasma hypothesis, it was found that the ratio rho of computed observed values varies with heliocentric radial distance according to a power function rho = 3r to the 0.7th power, assuming fundamental emission, and rho = 2r to the 0.7th power, assuming second harmonic emission.

Alvarez, H.↗
NASA NTRS1978

The exterior source surface for force-free fields

Consideration is given to the exterior source surface for force-free fields. The spherical harmonic expansion is presented for boundary values on two concentric spheres. An upper limit on a constant which measures the strength of coronal currents is found to be a function of the lowest multipole moment of the prescribed boundary values. The solar atmosphere is in the class of magnetic fields for which the study is applicable.

Barbosa, D. D.↗
DOE OSTI2019

Novel Approach for Considering Ecosystem Services at Industrial Sites near Agricultural Lands

Natural resource damages from industrial operations have been studied for years at legacy sites, including the U.S. Department of Energy Hanford site in southeastern Washington State. Encompassing nearly 1,500 km2 (600 mi2), this site represents one of the world’s largest cleanup projects with an estimated cost exceeding $320 billion and perhaps double that. The site includes an extensive buffer zone beyond the relatively limited portion (15%) used for nuclear materials production and associated waste storage and disposal. Before Hanford existed, most of the local lands were used for agriculture, and that use has continued nearby. Historical data relevant to the natural resource damage assessment process include location-specific irrigation practices, rates of groundwater withdrawal, and sustainable yields. The potential for considering the benefit of an ecosystem service is also being explored. Undeveloped areas of the site have long provided natural habitat for a wide variety of species, including pollinators. Thus, adjacent agricultural lands have benefited from pollinator services for years. This study describes a novel approach for considering the benefit of increased crop value due to this pollinator service. The approach combines spatial data for local pollinator-dependent crops with pollinator abundance data. A production function is then applied to estimate the agro-economic value resulting from crop pollination. A preliminary analysis indicates that the increased value for apple crops alone near Hanford could be on the order of $80 million a year. The benefits from this ecosystem service could offer practical context as a complement to the assessment of natural resource damages.

MacDonell, Margaret M.↗
DOE OSTI2019

Novel Approach for Considering Ecosystem Services at Industrial Sites near Agricultural Lands - 19482

Natural resource damages from industrial operations have been studied for years at legacy sites, including the U.S. Department of Energy Hanford site in southeastern Washington State. Encompassing nearly 1,500 km{sup 2} (600 mi{sup 2}), this site represents one of the world's largest cleanup projects with an estimated cost exceeding $320 billion and perhaps double that. The site includes an extensive buffer zone beyond the relatively limited portion (15%) used for nuclear materials production and associated waste storage and disposal. Before Hanford existed, most of the local lands were used for agriculture, and that use has continued nearby. Historical data relevant to the natural resource damage assessment process include location-specific irrigation practices, rates of groundwater withdrawal, and sustainable yields. The potential for considering the benefit of an ecosystem service is also being explored. Undeveloped areas of the site have long provided natural habitat for a wide variety of species, including pollinators. Thus, adjacent agricultural lands have benefited from pollinator services for years. This study describes a novel approach for considering the benefit of increased crop value due to this pollinator service. The approach combines spatial data for local pollinator-dependent crops with pollinator abundance data. A production function is then applied to estimate the agro-economic value resulting from crop pollination. A preliminary analysis indicates that the increased value for apple crops alone near Hanford could be on the order of $80 million a year. The benefits from this ecosystem service could offer practical context as a complement to the assessment of natural resource damages. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1999

Electro-mechanical Properties of Carbon Nanotubes: Effect of Small Tensile and Torsional Strains

We present a simple picture to calculate the bandgap ($E_g$) of carbon nanotubes (CNT) in the presence of uniform torsional and tensile strain ($\sigma$). We find that under tensile strain, $ absolute value of dE_g/d\sigma$ of zig-zag tubes is approximately equal to $3t_0$, where $t_0$ is the hopping parameter. Further, $ absolute value of dE_g/d\sigma$ decreases as the chirality changes to armchair, where it takes the value zero. The sign of $dE_g/d\sigma$ follows the $(N_x-N_y) *mod 3$(equal to - 1, 0 and +1) rule. In contrast to the above, we show that under torsional strain, $absolute value of dE_g/d\sigma$ of armchair tubes is approximately equal to $3t_0$ and continually decreases as the chirality changes to zig-zag, where is takes a small value. The sign of $dE_g/d\sigma$ again follows the $(N_x-N_y)*mod 3$ rule. Finally, we predict a change in the sign of $dE_g/d\sigma$ as function of strain, corresponding to a change in the value of $q$ that corresponds to the bandgap minimum.

Anantram, M. P.↗
DOE OSTI2023

The α-WC(0001) Surface as a Hydrogen Sponge: A First Principle Study of H 2 Dissociation and Formation of Low and High Coverages

Tungsten carbide (WC) displays a Pt-like behavior in catalysis, applied in hydrogenation processes. Numerous theoretical studies have modeled the behavior and use of adsorbed hydrogen without obtaining a general picture, missing basic links between H 2 dissociation and generation of high surface coverage (Θ H >0.5 ML). Here, in this study, the capability of C- and W-terminations of the α-WC(0001) surface is analyzed to dissociate several H 2 molecules to produce coverages, Θ H , ranging from low to very high values (0.13<Θ H <2.00 ML). Density functional theory and an ab initio atomistic thermodynamic were used to achieve the conditions for H 2 dissociation. The WC–C surface has higher capacity to dissociate H 2 molecules than WC–W. However, both surfaces can reach full surface coverage, Θ H =1 ML, at mild ambient conditions, T=300 K and P=1 atm, and even up to 500 K at low and high pressures. The H-adatoms on WC–W are more labile than on WC–C. The binding of adsorbates is hindered at high Θ H , implying a need to modulate Θ H according to the application. The results give the basis to understand the capabilities of WC-based catalysts in hydrogenation-related reactions, with the advantage of WC being a hydrogen reservoir at mild practical catalytic conditions.

03 NATURAL GAS↗
DOE OSTI2025

The structure of quark mass corrections in the gg → HH amplitude at high-energy

The leading and next-to-leading order QCD predictions for Higgs boson pair production at hadron colliders suffer from a significant mass renormalisation scheme uncertainty related to the choice of the top-quark mass. The functional dependence of the result on the value of the intermediate quark mass can be understood in the high-energy limit using the Method of Regions and the tools of Soft-Collinear Effective Theory. In this work, we study the origin of the sizeable logarithmic mass corrections in the gg → HH amplitudes at leading and next-to-leading power in the limit s, |t|, |u| ≫ ${m}_t^2$ ≫ ${m}_H^2$. We argue that the mass corrections follow a predictable factorised pattern that can be exploited to simplify their computation. We present results for the leading power leading logarithmic corrections, our analysis leads to a significant reduction in the theoretical uncertainty of the double Higgs production amplitudes at scattering energies ≳ 1 TeV due to the top-quark mass scheme.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Diagnosis and Prognosis of Coronary Artery Disease with SPECT and PET

Purpose of Review: Radionuclide myocardial perfusion imaging (MPI) continues to be the most reliable modality for diagnosis of hemodynamically significant coronary artery disease (CAD). The application of radionuclide MPI using single photon emission computed tomography (SEPCT) and positron emission tomography (PET) for CAD is reviewed, with emphasis on diagnosis and risk stratification. Recent Findings: Contemporary studies have reported the diagnostic and prognostic value of novel imaging protocols, employing stress-first or stress-only approach. In addition, the superior diagnostic value of PET has been established with a role of assessment of myocardial blood flow to improve risk stratification. The utility of MPI in special populations, such as the elderly, women, and diabetic patients has also been recently evaluated. Furthermore, multicenter studies have reported a similar diagnostic and prognostic value of radionuclide MPI compared with other functional and anatomical techniques for CAD. Summary: Radionuclide MPI with SPECT and PET are efficacious for diagnosis and prognosis of CAD. Its universal application in varied patient populations highlights its excellent clinical effectiveness.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Residual service life of carbonated structures based on site non-destructive tests

Assessing the residual service life of carbonated reinforced concrete structures is typically conducted by measuring cover depths and carbonation of drilled cores, assuming the ''square root law'' for the progress of the carbonation front. Given the large spatial variability of carbonation depths, the required number of cores becomes prohibitive. A model is presented, based on numerous experimental data, by which the carbonation rate can be estimated by means of non-destructive site measurements of the air-permeability kT. A Weibull distribution of the carbonation rate K{sub c} is fitted to the results, which is a function of kT. Hence, for each kT value measured on site coupled with the cover depth x{sub d}, expected, optimistic and pessimistic values of the corrosion initiation time can be obtained without the need of drilling cores. The method is validated on 111 paired results of kT and x{sub d}, obtained on the emblematic Tokyo's Museum of Western Art.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A reaction–diffusion model for grayscale digital light processing 3D printing

We report that digital light processing (DLP) 3D printing is an additive manufacturing process that utilizes light patterns to photopolymerize a liquid resin into a solid. Due to the accuracy of modern digital micromirror devices (DMD) and recent advances in resin chemistry, it is now possible to create functionally graded structures using different light intensity values, also known as grayscale DLP (g-DLP). Different intensities of light lead to differences in the polymer crosslinking density after curing, which ultimately produces a part with gradients of material properties. However, g-DLP is a complicated process. First, the DLP printing is a highly coupled chemical and physical process that involves light propagation, chemical reactions, species diffusion, heat transfer, volume shrinkage, and changes in mechanical behaviors of the curing resin. Second, in g-DLP, light gradients create strong in plane gradients of chemical species concentrations in the curing liquid resin due to the strong dependence of light intensity on the rate of monomer crosslinking. Furthermore, light gradients through the depth create concentration gradients due to the degree of cure dependent light absorption and the use of photoabsorbers. These complex physical features of the printing process must be understood in order to properly control printing parameters such as light exposure time, printing speed, and grayscale variations to achieve accurate mechanical properties. In this paper, a photopolymerization reaction–diffusion model is developed and used in conjunction with experiments to investigate the coupled effects of light propagation, chemical reaction rates, and species diffusion during g-DLP 3D printing. The model is implemented numerically utilizing the finite difference method and simulation results are compared to experimental findings of simple printed structures. The agreement between experimental and model predictions of simple quantities of interest, such as geometric feature sizes, shows that the model can capture the overcure due to free-radical and other species diffusion during printing when grayscale patterns are employed. This model lays the groundwork for future extensions that can incorporate more complex coupled physics such as heat transfer, volume shrinkage, and material property evolution, which are critically important in utilizing g-DLP 3D printing for the fabrication of high-performance parts which excellent geometric and material property tolerances.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling the impact of GIC neutral blocking devices on distance protection relay operations for transmission lines

Geomagnetic Induced Current (GIC) blocking devices typically include a capacitor on the neutral grounding path of wye-configured transformers. This type of GIC blocking device was designed as an effective countermeasure to prevent possible damages caused on the power grid by geomagnetic storms, and by the slow-varying component of a high-altitude electromagnetic pulse (HEMP). The insertion of a capacitor in the transformer neutral impedes the establishment of GICs in lines terminated with wye-connected transformer windings. With the presence of a capacitively grounded neutral, however, it becomes important to evaluate that no adverse effects are introduced in the general grid operations. In this context, this study investigates the impact of GIC neutral blocking devices on the functionality of distance protection relays for different values of transformer neutral blocking capacitors, and at different transmission line voltages. This study was conducted with a real-time simulation platform, and the simulations were performed by introducing a phase-to-ground fault at different line locations, and by measuring the apparent impedance at the protection relay location. Finally, the results indicated that, for typical values of capacitance considered for GIC neutral blocking devices, the distance protection relay model operates properly, without requiring a modification of the relay settings.

42 ENGINEERING↗
DOE OSTI2017

On the climate policy implications of substitutability and flexibility in the economy: An in-depth integrated assessment model diagnostic

This paper conducts an in-depth model diagnostic exercise for two parameters, 1) the elasticity of substitution between the capital/labour aggregate and the energy aggregate in the Integrated Assessment Model (IAM) MERGE's production function and 2) the rate at which new technologies can be deployed within the energy system. We show that in a more complementary world the model's ability to adjust the carbon intensity of its energy sector is more important whereas in a more substitutable world the ability to expand carbon free technologies is of lesser relative importance. The uncertainty in the literature surrounding the elasticity of substitution parameter, its interaction with the mechanisms of technical change, and the associated danger of grounding forward-looking analyses in historically based parameters lend support to the importance of such a diagnostic exercise. Building on work from model intercomparison studies, we investigate whether a given model's choice of strategy is primarily a function of the choice of its parameter values or its structure. As a result, a deeper understanding of what drives model behaviour is beneficial to both modellers and the policymakers who utilise their insights and output.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Capturing anharmonicity in a lattice thermal conductivity model for high-throughput predictions

High-throughput, low-cost, and accurate predictions of thermal properties of new materials would be beneficial in fields ranging from thermal barrier coatings and thermoelectrics to integrated circuits. To date, computational efforts for predicting lattice thermal conductivity (κ L ) have been hampered by the complexity associated with computing multiple phonon interactions. In this work, we develop and validate a semiempirical model for κ L by fitting density functional theory calculations to experimental data. Experimental values for κ L come from new measurements on SrIn 2 O 4 , Ba 2 SnO 4 , Cu 2 ZnSiTe 4 , MoTe 2 , Ba 3 In 2 O 6 , Cu 3 TaTe 4 , SnO, and InI as well as 55 compounds from across the published literature. Here, to capture the anharmonicity in phonon interactions, we incorporate a structural parameter that allows the model to predict κ L within a factor of 1.5 of the experimental value across 4 orders of magnitude in κ L values and over a diverse chemical and structural phase space, with accuracy similar to or better than that of computationally more expensive models.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Temperature Dependence of Volumetric and Dynamic Properties of Imidazolium-Based Ionic Liquids

Atomistically detailed molecular dynamics simulations were used to investigate the temperature dependence of the specific volume, dynamic properties, and viscosity of linear alkyl chain ([C n C 1 Im][NTf 2 ], n = 3–7) and branched alkyl chain ([(n – 2)mC n–1 C 1 Im][NTf 2 ]) ionic liquids (ILs). The trend of the glass transition temperature (T g ) values obtained in the simulations as a function of the alkyl chain length of cations was similar to the trend seen in experiments. In addition, the system relaxation behavior as determined from the temperature dependence of the diffusion coefficient, rotational relaxation time, and viscosity close to T g was observed to follow the Vogel–Fulcher–Tammann expression. Furthermore, the reciprocal of the diffusion coefficient of the anion and cation in both linear and branched IL systems showed a linear correlation with viscosity, thus confirming the validity of the Stokes–Einstein relationship for these systems. Similarly, the average rotational relaxation time of the ions was also found to correlate linearly with the viscosity of the ILs over a wide range of temperatures, thereby validating the Debye–Stokes–Einstein relationship for the ILs. These simulation findings suggest that the temperature dependence of the relaxation time of ILs is very similar to that of other glass-forming liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Robust Automatic EXAFS First-Shell Fits

Extended X-ray absorption fine structure (EXAFS) is a widely used technique for atomic structure determination. Fourier transformation connects EXAFS in k space and R space. However, determining the appropriate k-range for the transformation can be challenging, but critical for the first-shell fit. In this study, we present an automatic method to determine the k-range using the Larch package and a Python program. The first step is to estimate spectral noise across a series of k-ranges with a fixed minimum value and identify the optimal maximum value in the k-range (k max ). The k max is determined by an empirical noise threshold that marks the point where the noise level in the Fourier transformed spectrum changes dramatically. Using the obtained k max value, the first shell is modeled to determine the minimum k value (k min ) by optimizing the background function through alignment of the spectrum with theory. The optimal k min corresponds to the point of the minimum R-factor, which quantifies the difference between the experimental and fitted spectrum. Our method was tested on various typical datasets and yielded suitable k-ranges for Fourier transformation and accurate first-shell fits. This approach helps avoid unreliable, irreproducible data analysis, especially for noisy data from diluted samples, and enables robust automatic first-shell EXAFS fitting.

EXAFS analysis↗
DOE OSTI2018

Time-Dependent Consolidation in Porous Geomaterials at In Situ Conditions of Temperature and Pressure

Analysis of quartz sandstones shows that grain-scale crushing (fracture and rearrangement) and associated sealing of fractures contribute significantly to consolidation. The crushing strength (P*) for granular material is defined by laboratory experiments conducted at strain rates of 10 -4 to 10 -5 s -1 and room temperature. Based on experiments, many sandstones would require burial depths in excess of the actual maximum burial depth to create observed microstructure and density. In this paper, we use experiments and soil mechanics principles to determine rate laws for brittle consolidation of fine-grained quartz sand to better estimate in situ failure conditions of porous geomaterials. Experiments were conducted on St. Peter sand utilizing different isostatic consolidation and creep load paths at temperatures to 200 °C and at strain rates of 10 -4 to 10 -10 s -1 . Experiment results are consistent with observed rate dependence of consolidation in soils, and P* for sand can be identified by the change in the dependence of consolidation rate with stress, allowing the extrapolation of P* determined in the laboratory to geologic rates and temperatures. Additionally, normalized P* values can be described by a polynomial function to quantify temperature, stress, and strain-rate relationships for the consolidation of porous geomaterials by subcritical cracking. At geologic loading rates, P* for fine-grained quartz sand is achieved within ~3-km burial depth, and thus, shear-enhanced compaction under nonisostatic stress can occur at even shallower depths. Finally, these results demonstrate that time and temperature effects must be considered for predicting the brittle consolidation of sediments in depositional basins, petroleum reservoirs, and engineering applications.

58 GEOSCIENCES↗