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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Empirical Effect of Fleet Optimization on Synchronization and Rebound Effects in Heat Pump Water Heaters

Demand response is a growing concept in light of the internet of things and an increasing need for grid flexibility. Water heaters are one of the preferred devices for providing demand response for grid services and peak management due to their capability to store energy. The efficient use of water heaters for demand response requires consideration of the associated load effects such as synchronization of device schedules and rebound effect. These effects present a significant challenge. Despite the importance of the mentioned effects for water heater queuing and scheduling, there has been no effort to quantify and empirically validate their impact. This study attempts to address this gap by offering two methods - Ward clustering and Euclidean K-means - to evaluate the extent of synchronization in a fleet of 42 water heaters in Atlanta, GA. Using the aforementioned methods on the measured data, we find evidence of convergence of water heater loads as a result of optimization compared to an idle period and analyzed their impact.

demand response↗
DOE OSTI2019

Quantum Effects on H 2 Diffusion in Zeolite RHO: Inverse Kinetic Isotope Effect for Sieving

We use canonical variational theory (CVT) with small-curvature tunneling (SCT) contributions to investigate quantum effects on the H 2 diffusion process in the pure-silica zeolite RHO. At low temperature we find an inverse kinetic isotopic sieving effect in that the heavier isotopic species diffuses faster than the lighter one. Three quantum effects contribute to this kinetic isotope effect (KIE). The first one is quantum mechanical tunneling; this—on its own—would lead to a normal kinetic isotopic sieving effect, in which lighter diprotium diffuses faster than dideuterium. The second factor, which we find to dominate in the present case, is zero-point energy (ZPE). Deuterium has a lower ZPE, which leads to a smaller effective barrier for tunneling because the transition state has a larger ZPE than the precursor stable state; this results in an inverse KIE. The third factor, the thermal vibrational energy (computed from the quantized vibrational partition function), also favors a normal KIE, but it is outweighed by the ZPE effect. The vibrations of the zeolite host framework are found to play an important role at low temperatures, and our calculations consider up to 7296 degrees of freedom at the equilibrium structure and the saddle point and up to 221 degrees of freedom along the reaction path. In conclusion, the importance of quantum considerations on the dynamics is elucidated by comparison to a purely classical treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect

The essential components of theory for the description of isotope effects in recombination reaction that forms ozone are presented, including the introduction of three reaction pathways for symmetric and asymmetric isotopomers, a brief review of relevant experimental data for singly- and doubly substituted isotopologues, the definitions of ζ-effect and η-effect, and the introduction of isotopic enrichment δ. Two levels of theory are developed to elucidate the role of molecular symmetry, atomic masses, vibrational zero-point energies, and rotational excitations in the recombination process. Here, the issue of symmetry is not trivial, since the important factors, such as 1/2 and 2, appear in seven different places in the formalism. It is demonstrated that if all these effects are taken into account properly, then no anomalous isotope effects emerge. At the next level of theory, a model is considered in which one scattering resonance (sitting right at the top of centrifugal barrier) is introduced per ro-vibrational channel. It is found that this approach is equivalent to statistical treatment with partition functions at the transition state. Accurate calculations using hyper-spherical coordinates show that no isotope effects come from difference in the number of states. In contrast, differences in vibrational and rotational energies lead to significant isotope effects. However, those effects appear to be local, found for the rather extreme values of rotational quantum numbers. They largely cancel when rate coefficients are computed for the thermal distribution of rotational excitations. Although large isotope effects (observed in experiments) are not reproduced here, this level of theory can be used as a foundation for more detailed computational treatment, with accurate information about resonance energies and lifetimes computed and included.

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

Topological Nernst effect, anomalous Nernst effect, and anomalous thermal Hall effect in the Dirac semimetal Fe 3 Sn 2

Topological semimetals have been a focal point of research in recent years. One of the salient characters of topological semimetals is the anomalous Hall effect arising from the nontrivial momentum-space Berry phase. In contrast, anomalous transverse thermoelectric coefficient and thermal Hall effect are much less explored up to date. In this paper, we report thermoelectric and thermal transport properties of Fe 3 Sn 2 , a prototypical Dirac semimetal. We find that Fe 3 Sn 2 exhibits large topological Nernst effect which is associated with the non-zero spin chirality of the skyrmion bubble phase. Furthermore, Fe 3 Sn 2 shows prominent anomalous thermal Hall effect and anomalous Nernst effect with features similar to the anomalous Hall effect. The anomalous Nernst signal is about 2.1 μV/K at room temperature, which is comparable to the largest value reported thus far. These results highlight the synergic effects of Berry phase in both real space and momentum space of Fe 3 Sn 2 , and this study demonstrates an effective strategy of investigating topological materials by measuring their transverse thermal and thermoelectric responses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗
DOE OSTI2021

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties

Understanding composition-structure-property relationships of high-alumina nuclear waste glasses are important for vitrification of nuclear waste at the Hanford Site. Two series of glasses were designed, one with varying Al:Si ratios and the other with (Al+Na):Si ratios based on the International Simple Glass (ISG, a simplified nuclear waste model glass), with Al2O3 ranging from 0 to 23 mol % (0 to 32 wt. %). The glasses were synthesized and characterized using electron probe microanalysis, X-ray photoelectron spectroscopy, small angle X-ray scattering, high temperature oxide melt solution calorimetry, and infrared spectroscopy. Glasses were crystal free, and the lowest Na2O and Al2O3 glass formed an immiscible glass phase. Evolution of various properties - glass transition temperature, percentage of 4-coordinated B, enthalpy of glass formation - and infrared spectroscopy results indicate that structural effects differ based on the glass series.

Nuclear Waste Glass↗
DOE OSTI2018

The impact of contamination and aging effects on the long-term laser-damage resistance of SiO 2 /HfO 2 /TiO 2 high-reflection coatings for 1054nm

The laser damage thresholds of optical coatings can degrade over time due to a variety of factors, including contamination and aging. Optical coatings deposited using electron beam evaporation are particularly susceptible to degradation due to their porous structure. In a previous study, the laser damage thresholds of optical coatings were reduced by roughly a factor of two from 2013 to 2017. The coatings in question were high reflectors for 1054 nm that contained SiO 2 and HfO 2 and/or TiO 2 layers, and they were stored in sealed PETG containers in a class 100 cleanroom with temperature control. At the time, it was not certain whether contamination or thin film aging effects were responsible for the reduced laser damage thresholds. Therefore, to better understand the role of contamination, the coatings were recleaned and the laser damage thresholds were measured again in 2018. Here, the results indicate that contamination played the most dominant role in reducing the laser damage thresholds of these optical coatings, even though they were stored in an environment that was presumed to be clean.

42 ENGINEERING↗