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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Molecular Diradical Spin Qubits in a Crystalline Host as a Platform for Quantum Sensing

Doping a luminescent tris(2,4,6-trichlorophenyl)methyl diradical m (TTM) 2 into a host crystal of its diamagnetic precursor m (HTTM) 2 creates a molecular color center with enhanced optical-spin interface properties important for quantum sensing. Optical polarization of the |T 0 ⟩ sublevel of the diradical triplet ground state is achieved by spin-selective intersystem crossing from the |T + ⟩ and |T – ⟩ sublevels of the triplet excited state at ambient and cryogenic temperatures. Coherent spin control of m (TTM) 2 doped into m (HTTM) 2 using pulsed optically detected magnetic resonance (ODMR) spectroscopy results in a 10-fold improvement in ODMR contrast over that observed for randomly oriented m (TTM)2 using continuous-wave ODMR. The diradical doped crystal powders achieve spin coherence times of 2.8, 3.4, and 7.4 μs at 294, 85, and 5 K, respectively. The diradical photoluminescence is sensitive to weak applied magnetic fields independent of temperature, excitation wavelength, and dopant concentration, providing a promising pathway toward robust quantum sensing of anisotropic magnetic fields under ambient conditions.

crystal structure↗
DOE OSTI2020

Neural Learning Based Blind Source Separation for Detection of Material Defects in Pulsed Thermography Images

In this paper, we introduce a neural learning-based approach to blind source separation for detection of material flaws in pulsed thermography (PT) images. This approach can be used to detect internal defects (pores) in metallic Additively Manufactured (AM) materials. Such defects occur in high-strength alloys produced with direct laser sintering AM method for nuclear energy applications. Pulsed thermal imaging system utilizes a high intensity flash lamp to rapidly heat surface of sample, a high sensitivity infrared camera to capture data of surface temperature variations. The data cube obtained with PT (stack of surface temperature images at different times) can be analyzed with image processing algorithms to detect material defects. Compared with conventional nondestructive evaluation (NDE) methods, such as digital radiography and ultrasonic testing, the PT pulsed infrared thermal detection technique has advantages of one-sided non-contact measurements, fast processing of large sample areas captured in one image. Detection of small material defects requires finding features in thermal images, which have signal contrast levels approaching sensitivity limit of IR camera. In this study, an optimized Neural Learning based Blind Source Separation (NLBSS) algorithm, including Principal Component Analysis (PCA), and Independent Component Analysis (ICA) is demonstrated to automatically extract principal temporal and spatial features of thermography frames to enhance flaw detection. By using the NLBSS algorithm, material internal defects can be automatically detected. Furthermore, this processing approach compensates for experimental thermal imaging artifacts, such as noise and uneven heating. By merging artificial intelligence with the photothermic, the NDE system detects internal calibrated defects of various sizes and depths in AM nuclear-grade metallic alloys.

Zhang, Xin↗
DOE OSTI2024

American-Made Geothermal Geophone Prize: Ultra-High Temperature Seismic Tool for Geothermal Wells Summary Report

This work was conducted in support of the American Made Geothermal Prize. The following data summary report presents the testing conducted at Sandia National Labs to validate the performance of the Ultra-High Temperature Seismic Tool for Geothermal Wells. The goal of the testing was to measure the sensitivity of the device to seismic vibrations and reliability of the instrument at elevated temperatures. To this end, two tests were conducted: 1) Ambient Temperature Seismic Testing, which measured the response of the tool to a sweep of frequencies from 1 to 1000 Hz, and 2) Elevated Temperature Survivability Testing which measured the voltage response of the device at 225°C over a month-long testing window. The details of the testing methodology and summary of the tests are presented herein.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Calibrating cryogenic temperature of TEM specimens using EELS

Cryogenic Scanning/Transmission Electron Microscopy has been established as a leading method to image sensitive biological samples and is now becoming a powerful tool to understand materials' behavior at low temperatures. However, achieving precise local temperature calibration at low temperatures remains a challenge, which is especially crucial for studying phase transitions and emergent physical properties in quantum materials. In this study, we employ electron energy loss spectroscopy (EELS) to measure local cryogenic specimen temperatures. Here we use the temperature-dependent characteristics of aluminum's bulk plasmon peak in EEL spectra, which shifts due to changes in electron density caused by thermal expansion and contraction. We successfully demonstrate the versatility of this method by calibrating different liquid nitrogen cooling holders in various microscopes, regardless of whether a monochromated or non-monochromated electron beam is used. Temperature discrepancies between the actual temperature and the setpoint temperatures are identified across a range from room temperature to 100 K. This work demonstrates the importance of temperature calibrations at intermediate temperatures and presents a straightforward, robust method for calibrating local temperatures of cryogenically-cooled specimens in electron microscopes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Feasibility of Lead Fast Reactor Heat Exchanger Tube Online Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, wedges vs. direct application of piezoelectric sensors, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2020

Progress Toward Molten Salt Reactor Heat Exchanger On-Line Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2024

Dependence of tropical cyclone seeds and climate sensitivity on tropical cloud response

Projections of future tropical cyclone frequency are uncertain, ranging from a slight increase to a considerable decrease according to climate models. Estimation of how much the Earth’s surface temperature warms in response to greenhouse gas increase, quantified by effective climate sensitivity, is also uncertain. These two uncertainties have historically been studied independently as they concern different scales: One quantifies the extreme weather and the other the mean climate. Here, we show that these two uncertainties are not independent and are both influenced by the response of tropical clouds to warming. Across climate models, we show an anticorrelation between shortwave cloud radiative feedback and changes in the frequency of seed vortices, a prevalent type of tropical cyclone precursors. We further show an anticorrelation between effective climate sensitivity and tropical cyclone frequency changes, suggesting that global tropical cyclone frequency tends to decrease more substantially in models with larger temperature increase.

Science & Technology - Other Topics↗
DOE OSTI2024

Measurements of nematic susceptibility with phase sensitive nuclear magnetic resonance in pulsed strain fields

Here, we present nuclear magnetic resonance data in BaFe 2 As 2 in the presence of pulsed strain fields that are interleaved in time with the radio frequency excitation pulses. In this approach, the preceding nuclear magnetization acquires a phase shift that is proportional to the strain and pulse time. The sensitivity of this approach is limited by the homogeneous decoherence time, T 2 , rather than the inhomogeneous linewidth. We measure the nematic susceptibility as a function of temperature and demonstrate a three orders of magnitude improvement in sensitivity. This approach will enable studies of the strain response in a broad range of materials that previously were inaccessible due to inhomogeneous broadening.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intrinsic thermal conductivity of ZrC from low to ultrahigh temperatures: A critical revisit

Current phonon transport theory based on ground-state calculations has been successful in predicting thermal conductivity at room and medium temperatures but may misrepresent behavior at high temperatures. Here, in this work, we predict the thermal conductivity (κ) of ZrC including electronic and phonon contributions from 300 to 3500 K, by including high-order phonon scattering; lattice expansion; temperature-dependent (TD) second-, third-, and fourth-order force constants (2FC, 3FC, and 4FC); and interband phonon conduction by using first principles. For the phonon transport, we find that four-phonon scattering (4ph) significantly reduces the phonon thermal conductivity (κ ph ), by as much as ~75% at 3500 K. After including 4ph scattering and all other factors, κ ph shows a ~T –1.5 rather than ~T –1 dependence. TD 2FC decreases three-phonon scattering rates but increases 4ph rates by decreasing and increasing the scattering phase spaces, respectively. For 4ph phase space, the TD 2FC flattens phonon bands, and allows more redistribution-4ph processes (1 + 2 → 3 + 4) to happen. The combination effect of TD 2FC and TD 4FC reduces 4ph rates of acoustic modes but increases those of optical modes. The TD 3FC and 4FC decrease the phonon scattering cross section and increase the κ ph significantly (by 52% at 3500 K). The contribution from interband (Wigner) phonon conduction is small, even at ultrahigh temperatures. For electronic thermal transport, we find that it is sensitive to and can be changed by 20% by the TD lattice constants. The Lorenz number varies from 1.6 to 3.3 × 10 –8 WΩK –2 at different temperatures. The theoretical prediction in the literature overpredicts κph (e.g., ~28%) and underpredicts the κ el (e.g., ~38%), resulting in an overall underprediction of κ (~26% at 1500 K). The impacts of grain size and defects are found to be strong, leading to the lower observed thermal conductivity in experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Studies of Low and Intermediate Temperature Oxidation of Propane up to 100 Atm in a Supercritical-Pressure Jet-Stirred Reactor

Here, the low and intermediate temperature oxidation of propane has been investigated by using a novel supercritical pressure jet stirred reactor (SP-JSR) with and without 20% CO 2 additions at fuel lean and rich conditions at 10 and 100 atm and 500–1000 K. The mole fractions of C 3 H 8 , O 2 , CO, CO 2 , CH 2 O, C 2 H 4 , CH 3 CHO, and C 3 H 6 were quantified by using a micro-gas chromatograph (µ-GC). The experiment showed that different from that of 10 atm, at 100 atm only a weak negative temperature coefficient (NTC) behavior was observed because of the significant shift of the intermediate temperature HO 2 chemistry to lower temperature. In addition, at 100 atm, existing models in literatures could successfully capture the onset temperatures of the low and intermediate chemistry, while under-predict the fuel oxidation quantitatively and fail to capture the NTC behavior between 650 and 780 K at both fuel lean and rich conditions. Similar discrepancy was observed in studies of n-butane and dimethyl ether (DME) oxidations in literatures, implying that there existed large uncertainties in hierarchy model development of fuels with low temperature chemistries at extremely high pressures. Reaction pathways and sensitivity analyses showed that RO 2 competing reactions through (P1) RO 2 = QOOH, (P2) RO 2 = C 3 H 6 + HO 2 , (P3) RO 2 + CH 2 O/HO 2 = RO 2 H + HCO / O 2 dominated the low and intermediate temperature chemistries, followed by HO 2 / H 2 O 2 chemistry at 100 atm, which differed from the dominant pathway through QOOH consumption reactions at lower pressures. Especially, P3 is a new pathway of RO 2 consumption at high pressures, which was not observed in importance at low pressures. Special attention should be paid to the accurate computations of n-C 3 H 7 O 2 / i-C 3 H 7 O 2 + CH 2 O and n-C 3 H 7 O 2 / i-C 3 H 7 O 2 + in the P3 pathway and n-C 3 H 7 O 2 / i-C 3 H 7 O 2 decomposition reactions in the P2 pathway at high pressures.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Superconducting Qubits above 20 GHz Operating over 200 mK

Current state-of-the-art superconducting microwave qubits are cooled to extremely low temperatures to avoid sources of decoherence. Higher qubit operating temperatures would significantly increase the cooling power available, which is desirable for scaling up the number of qubits in quantum computing architectures and integrating qubits in experiments requiring increased heat dissipation. To operate superconducting qubits at higher temperatures, it is necessary to address both quasiparticle decoherence (which becomes significant for aluminum junctions above 160 mK) and dephasing from thermal microwave photons (which are problematic above 50 mK). Using low-loss niobium-trilayer junctions, which have reduced sensitivity to quasiparticles due to the higher superconducting transition temperature of niobium, we fabricate transmons with higher frequencies than previously studied, up to 24 GHz. We measure decoherence and dephasing times of about 1 μs, corresponding to average qubit quality factors of approximately 10 5 , and find that decoherence is unaffected by quasiparticles up to 1 K. Without relaxation from quasiparticles, we are able to explore dephasing from purely thermal sources, finding that our qubits can operate up to approximately 250 mK while maintaining similar performance. The thermal resilience of these qubits creates new options for scaling up quantum processors, enables hybrid quantum experiments with high heat-dissipation budgets, and introduces a material platform for even-higher-frequency qubits.

Josephson junctions↗
DOE OSTI2025

The Efficiency of Water Vapor on Top‐of‐Atmosphere Radiation

Earth's climate sensitivity is greatly affected by the compensation between temperature feedback and water vapor (WV) feedback. Using abrupt 4xCO 2 experiments, we show that the global-mean WV feedback is nearly a linear function of the temperature feedback, the slope of which is explained by the longwave radiative efficiency of WV (ϵ). Although ϵ remains constant across models in the global mean, it exhibits substantial spatial variations and is particularly weak in Antarctica, where near-surface inversions decouple the surface from the free troposphere. We introduce a surface–free troposphere temperature difference (SFTD) metric, showing that positive SFTD (e.g., high lifting condensation level) amplifies ϵ, while negative SFTD (e.g., strong surface inversion) suppresses it. These findings provide a clear explanation of how local climate conditions modulate the radiative compensation between temperature and WV feedbacks.

climate feedback↗
DOE OSTI2024

Mid-infrared trace detection with parts-per-quadrillion quantitation accuracy: Expanding frontiers of radiocarbon sensing

Detection sensitivity is a critical characteristic to consider during selection of spectroscopic techniques. However, high sensitivity alone is insufficient for spectroscopic measurements in spectrally congested regions. Two-color cavity ringdown spectroscopy (2C-CRDS), based on intra-cavity pump–probe detection, simultaneously achieves high detection sensitivity and selectivity. This combination enables mid-infrared detection of radiocarbon dioxide ( 14 CO 2 ) molecules in room-temperature CO 2 samples, with 1.4 parts-per-quadrillion (ppq, 10 − 15 ) sensitivity (average measurement precision) and 4.6-ppq quantitation accuracy (average calibrated measurement error for 21 samples from four separate trials) demonstrated on samples with 14 C/C up to ∼ 1.5 × natural abundance ( ∼ 1,800 ppq). These highly reproducible measurements, which are the most sensitive and quantitatively accurate in the mid-infrared, are accomplished despite the presence of orders-of-magnitude stronger, one-photon signals from other CO 2 isotopologues. This is a major achievement in laser spectroscopy. A room-temperature-operated, compact, and low-cost 2C-CRDS sensor for 14 CO 2 benefits a wide range of scientific fields that utilize 14 C for dating and isotope tracing, most notably atmospheric 14 CO 2 monitoring to track CO 2 emissions from fossil fuels. The 2C-CRDS technique significantly enhances the general utility of high-resolution mid-infrared detection for analytical measurements and fundamental chemical dynamics studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Enhanced imaging of electronic hot spots using quantum squeezed light

Detecting electronic hot spots is important for understanding the heat dissipation and thermal management of electronic and semiconductor devices. Optical thermoreflective imaging is being used to perform precise temporal and spatial imaging of heat on wires and semiconductor materials. We apply quantum squeezed light to perform thermoreflective imaging on micro-wires, surpassing the shot-noise limit of classical approaches. We obtain a far-field temperature sensing accuracy of 42 mK after 50 ms of averaging and show that a 256×256 pixel image can be constructed with such sensitivity in 10 min. We can further obtain single-shot temperature sensing of 1.6 K after only 10 μs of averaging, enabling a dynamical study of heat dissipation. Not only do the quantum images provide accurate spatiotemporal information about heat distribution but also the measure of quantum correlation provides additional information, inaccessible by classical techniques, which can lead to a better understanding of the dynamics. We apply the technique to both aluminum and niobium microwires and discuss the applications of the technique in studying electron dynamics at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Techno-Economic Analysis and Market Potential of Geological Thermal Energy Storage (GeoTES) Charged With Solar Thermal and Heat Pumps

In this project, we developed a techno-economic analysis (TEA) model that can be used to evaluate the viability of a proposed Geological Thermal Energy Storage (GeoTES) design. This MATLAB-based model integrates distinct subsystem models for the reservoir, wells, power cycle, and solar field to capture their distinct characteristics. It applies this approach in simulating GeoTES storage and dispatch operations for durations ranging from hourly to seasonal. Using cases studies based on GeoTES designs provided by industry partners - Premier Resource Management (PRM) and EarthBridge Energy - we validated the TEA model estimations of system performance and costs (such as thermal and electrical power/energy inflow and outflow, capital costs, and levelized costs of energy and storage) for both concentrating solar thermal (CST) and Carnot Battery (CB) pairings with GeoTES (CST-GeoTES and CB-GeoTES). For the CST-GeoTES case, the model was validated against the proposed system designed by PRM. It showed good agreement with PRM's estimations when well and pump costs derived from PRM's estimations were used. When GETEM-based costs were used, there was a slight overprediction due to GETEM's project/site agnostic assumption of these costs. From a sensitivity analysis perspective, the levelized cost of electricity (LCOE) of the CST-GeoTES case was most sensitive to well flow rate and the charging temperature. An optimal design scenario resulted in an LCOE of 0.11 $\$$/kWhe. CST-GeoTES can also provide a source of heat to meet seasonal demands. With 12-hour and 24-hour levelized cost of heat (LCOH) of 0.018 $\$$/kWhth and 0.022 $\$$/kWhth, respectively, CST-GeoTES could be competitive in the California market with an average industrial price of natural gas in California between 0.041-0.047 $\$$/kWhth. The levelized cost of storage (LCOS) for CST-GeoTES depends on the energy storage duration. Although the LCOS is relatively higher for shorter durations (e.g., ~0.50 $\$$/kWhe for 1 hour of storage), it is an order of magnitude lower (0.06 $\$$/kWhe) for longer storage durations and competitive with lithium-ion batteries (beyond 12 hours of storage) and molten-salt thermal energy storage (beyond 32 hours). Energy. Three options were explored and applied to the EarthBridge case study: (1) A Carnot Battery design using R125 working fluid with both hot and cold storage; (2) A Carnot Battery design using R125 working fluid with only hot storage; (3) A Carnot Battery using a commercially available heat pump with carbon dioxide (CO2) working fluid and hot storage only. The CB-GeoTES with cold storage only had a slight (round-trip) efficiency advantage over the system without (43.4% vs. 42.8%). This is because the cold storage is limited by the freezing point of water, so the cold storage is not much colder than the environment. The system using commercially available technologies was the least efficient - partly because different cycles were used in the heat pump (CO2) and heat engine (binary cycle) which leads to some inefficiencies. Using the commercially available design, the levelized cost of energy (LCOS) from the model (0.10 $\$$/kWhe) was higher than that estimated by EarthBridge (0.068 $\$$/kWhe). This is because of the low round-trip (38.7%) efficiency of the commercially available design. Sensitivity analysis reveals that the model is most sensitive to electricity price. Including electricity price in the TEA for CB-GeoTES leads to an increase in LCOS from the base value to 0.25 $\$$/kWhe. To determine storage sites suitable for GeoTES, we gathered and analyzed geological, petrophysical, and geophysical data of oil and gas reservoir and aquifers in California and Texas. We down-selected possible sites based on cut-off values for site characteristics (e.g., reservoir temperature, formation thickness, permeability, porosity, depth, and brine salinity) and preliminary costs. Using this approach, the Carrizo-Wilcox, Yegua-Jackson, and Dockum brackish aquifers in Texas were identified as having the highest suitability. Similarly, in the central California region, the White Wolf, Belridge South Tulare, and Belridge South Reef Ridge were the most suitable. Going further, we assessed the storage potential in the selected sites. To do this we developed distributions of reservoir characteristic data and applied a Monte Carlo-based analysis to account for intrinsic uncertainty in the acquired data. The analysis revealed that the Carrizo-Wilcox aquifer had the highest storage potential with a mean capacity of 554 TWhth (i.e., 63 TWhe). The estimated capacity serves as an upper limit of storage potential given that not all fields in the basin will be developed. We participated in multiple outreach activities including conference presentations, panel session discussions, and the facilitation of a GeoTES workshop at the NREL Golden campus.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Enhancing ZnO nanowire gas sensors using Au/Fe 2 O 3 hybrid nanoparticle decoration

Heterojunctions are an important strategy for designing high performance electrical sensor materials and related devices. Herein, a new type of metal-semiconductor hybrid nanoparticle has been successfully used to remarkably sensitize the surface of ZnO nanowires for detecting NO 2 with high responses over a broad temperature window ranging from room temperature to 600 °C. These hybrid nanoparticles are comprised of iron oxide nanowires with well dispersed single crystalline Au nanoparticles. The hybrid nanoparticle decorated ZnO nanowires have achieved a giant response, as high as 74 500 toward NO 2 gas, about 42 times that of Au decorated ZnO nanowire sensors. This dramatic enhancement may be attributed to the efficient charge transfer across the Au–Fe 2 O 3 Schottky and Fe 2 O 3 –ZnO semiconductor heterojunction interfaces. Due to the incorporation of thermally-stable Fe 2 O 3 nanoparticles as the support of Au nanoparticles, the working temperature of nanowire sensors was successfully extended to higher temperatures, with an increase of 200 °C, from 400 °C to 600 °C. Such a combination of semiconductor heterojunction and semiconductor-metal Schottky contact presents a new strategy for designing high performance electrical sensors with high sensitivity, stability, selectivity, and wide operation temperature window, which are potentially suitable for advanced energy systems such as automotive engines and power plants.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

A molecular dynamics simulation study of thermal conductivity anisotropy in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Molecular dynamics (MD) simulations were used to predict the thermal conductivity of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) along directions normal to the (011), (110), and (010) crystal planes. These directions were selected based on the measured morphological importance of the corresponding crystal surfaces. A reverse non-equilibrium MD approach was used wherein a constant heat flux is imposed along a prescribed direction and the resulting steady-state temperature gradient determined. The coefficient of thermal conductivity λ is the quotient of heat flux and temperature gradient (i.e. Fourier's law). Finite-size effects and sensitivity to imposed heat flux were investigated. The results reveal a modest dependence of the conductivity on crystal orientation, significant finite-size effects, and low sensitivity to imposed flux so long as the Fourier's law analysis is limited to the spatial interval in the simulation cell for which the temperature gradient is constant. Infinite-length thermal conductivities were estimated by linear regression of λ -1 (L) versus reciprocal cell length L -1 for each direction. The predicted values are systematically larger, but within a factor of two, than most published experimental determinations, the latter of which were obtained for pressed-powder or composite samples rather than oriented single crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗