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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 91 records · Page 5

Machine learning-accelerated discovery of heat-resistant polysulfates for electrostatic energy storage

The development of heat-resistant dielectric polymers that withstand intense electric fields at high temperatures is critical for electrification. Balancing thermal stability and electrical insulation, however, is exceptionally challenging as these properties are often inversely correlated. A traditional intuition-driven polymer design approach results in a slow discovery loop that limits breakthroughs. Here we present a machine learning-driven strategy to rapidly identify high-performance, heat-resistant polymers. A trustworthy feed-forward neural network is trained to predict key proxy parameters and down select polymer candidates from a library of nearly 50,000 polysulfates. The highly efficient and modular sulfur fluoride exchange click chemistry enables successful synthesis and validation of selected candidates. A polysulfate featuring a 9,9-di(naphthalene)-fluorene repeat unit exhibits excellent thermal resilience and achieves ultrahigh discharged energy density with over 90% efficiency at 200 °C. Its exceptional cycling stability underscores its promise for applications in demanding electrified environments.

Li, He↗

Methods for Computing Physically Realistic Estimates of Electric Water Heater Demand Response Resource Suitable for Bulk Power System Planning Models

Demand response is commonly called on to reduce load during system peak times or to respond to contingency events. In future power systems with higher shares of wind and solar generation (which we describe together as variable generation [VG]), demand response could have more opportunities to provide energy shifting or operating reserve services. This report evaluates the ability of residential electric water heaters, both electric resistance water heaters (ERWHs) and heat pump water heaters (HPWHs), to provide such services starting from detailed whole-building energy models that realistically represent New England single family home stock. We use a parsimonious surrogate model to represent operational flexibility in a form suitable for linear and mixed integer programming. This enables relatively fast determination of aggregate contingency reserve resource, price-taking energy shifting outcomes, and in some cases the determination of aggregate models at the megawatt (MW) scale that can be directly included in large-scale grid models. After selecting modeling methods and parameters through various computational experiments, we find interquartile ranges of contingency reserve resource in ISO-NE for about 603,400 ERWHs of 45 MW - 69 MW for Claim10 (50 minute responses provided with 10 minutes of advanced notification) and 65 MW - 102 MW for Claim30 (30 minute responses provided with 30 minutes of advanced notification), and for about 619,000 HPWHs of 48 MW - 88 MW for Claim10 and 52 MW - 90 MW for Claim30. The overall reserve resource is up to 32% of total load for ERWHs providing Claim10 service, 47% for ERWHs providing Claim30 service, 93% for HPWHs providing Claim10 service, and 97% for HPWHs providing Claim30 service. More work is required to determine if HPWHs are inherently more suitable than ERWHs for providing contingency reserve or if these results reflect idiosyncrasies of the single family home stock model used in this study. The value of this contingency resource in a Near-term VG model of ISO-NE is $\$ 0.40$ to $\$1.20$ per water heater-year, and significantly larger, $\$ 3.80$ to $\$ 5.30$ per water heater-year in a Mid-term VG model of ISONE. Aggregating surrogate models to the MW-scale for energy shifting service is more challenging than for contingency service and we only present such results for ERWHs, because we were unable to determine satisfactory ways to deal with HPWHs' time-varying and path dependent operational characteristics. Individual surrogate models suitable for evaluating the energy shifting resource from both ERWHs and HPWHs are created, however, and dispatched against day-ahead prices from the Near-Term VG and Mid-Term VG models of ISO-NE. The individual surrogate models are able to access and potentially shift all 640 GWh of HPWH load and 1,547 GWh of ERWH load we modeled in two different single family home stock models. In contrast, the most effective model of aggregate ERWH shifting resource we created only captured 34.7% of the total ERWH load. Energy shifting affected by price-taking dispatch against modeled day-ahead energy prices produces per water heater year profits of $\$19.44$ - $\$22.93$ for individual HPWHs, $\$39.11$ - $\$40.54$ for individual ERWHs, and up to $\$4.00$ - $\$4.24$ for aggregated ERWHs, with the variations mainly due to grid conditions (more or less VG). When the supply-side response to these changes is accounted for, the per water heater year production cost savings for ISO-NE are $\$7.50$ to $\$17.70$ for the most effective set of endogenously dispatched aggregate ERWHs, $\$15.60$ to $\$15.70$ for individual ERWHs dispatched against the DA prices, and $\$10.70$ to $\$11.20$ for individual HPWHs dispatched against DA prices. Those ranges primarily represent the difference between Near-Term VG and Mid-Term VG grid conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Magnetic, transport and thermal properties of δ-phase UZr 2

Here, polycrystals of hexagonal δ-phase UZr 2 have been synthesised and studied by means of heat capacity, magnetic susceptibility, magnetisation, electrical resistivity, magnetoresistance, thermoelectric power, thermal conductivity measurements, for the first time, at temperatures from 1.8 to 300 K and in magnetic fields up to 8 T. The weak temperature dependence of the magnetic susceptibility and the small value of both Seebeck (0.75 μV/K at room temperature) and of the Sommerfeld coefficient (13.5 mJ mol –1 K –2 ) point to 5f-electrons in this material having a delocalised nature. The electrical resistivity and magnetoresistance indicate the presence of significant electronic disorder in δ-UZr 2 , consistent with the disorder in its crystal structure. Density functional theory calculations have been performed and compared to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Superconducting properties of the spin Hall candidate Ta 3 Sb with eightfold degeneracy

We report the synthesis and characterization of phase pure Ta 3 Sb, a material predicted to be topological with eightfold degenerate fermionic states [Bradlyn et al., Science 353, aaf5037 (2016)] and to exhibit a large spin Hall effect [Derunova et al., Sci. Adv. 5, eaav8575 (2019)]. We observe superconductivity in Ta 3 Sb with T c ~0.67 K in both electrical resistivity ρ(T) and specific heat c(T) measurements. Field-dependent measurements yield the superconducting phase diagram with an upper critical field of H c2 (0) ~0.95 T, corresponding to a superconducting coherence length of ξ ≈ 18.6 nm. The gap ratio deduced from specific heat anomaly, 2Δ 0 /k B T c is 3.46, a value close to the Bardeen-Cooper-Schrieffer value of 3.53. From a detailed analysis of both the transport and thermodynamic data within the Ginsburg-Landau (GL) framework, a GL parameter of κ ≈ 90 is obtained, identifying Ta 3 Sb as an extreme type-II superconductor. The observation of superconductivity in an eightfold degenerate fermionic compound with topological surface states and predicted large spin Hall conductance positions Ta 3 Sb as an appealing platform to further explore exotic quantum states in multifold degenerate systems.

36 MATERIALS SCIENCE↗

Dynamics of laser-generated magnetic fields using long laser pulses

In this work, we report on the experimental investigation of magnetic field generation with a half-loop gold sheet coil driven by long-duration (10 ns) and high-power (0.5 TW) laser pulses. The amplitude of the magnetic field was characterized experimentally using proton deflectometry. The field rises rapidly in the first 1 ns of laser irradiation, and then increases slowly and continuously up to 10 ns during further laser irradiation. The transient dynamics of current shape were investigated with a two-dimensional (2D) numerical simulation that included Ohmic heating of the coil and the resultant change of electrical resistivity determined by the coil material temperature. The numerical simulations show rapid heating at the coil edges by current initially localized at the edges. This current density then diffuses to the central part of the sheet coil in a way that depends both on normal current diffusion as well as temporal changes of the coil resistance induced by the Ohmic heating. The measured temporal evolution of the magnetic field is compared with a model that determines a solution to the coil current and voltage that is consistent with a plasma diode model of the drive region and a 2D simulation of current diffusion and dynamic resistance due to Ohmic heating in the laser coil.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Methane pyrolysis by Joule heating for graphitic carbon and hydrogen production

The global energy transition toward sustainability requires technologies that can decarbonize energy carriers and fuels while producing valuable materials. Methane, a primary component of natural gas, is both a high-energy-density fuel and a significant greenhouse gas. This study reports an approach for methane pyrolysis utilizing Joule heating within the deposition substrate to drive the endothermic reaction. With electric current passing through a resistive porous carbon cloth, heat is generated to break C-H bonds of methane molecules. Here, the decomposition of methane as it flows through the cloth results in hydrogen production and the formation of conformally layered graphite around the carbon fibers. The effects of input power, chamber pressure, feedstock flow rate, and process duration on hydrogen and graphite production are characterized via in situ mass spectrometry and laser absorption spectroscopy, resulting in methane conversion rates up to 88%, with hydrogen and carbon yields of 82% and 72%, respectively. Material characterization verifies uniform high-quality graphite deposition, with a Raman I D /I G ratio of 0.1 and 3.38 Å d-spacing. This Joule heating method for catalyst-free methane pyrolysis offers the potential for advancing hydrogen production technology by simultaneously producing valuable materials such as solid graphite, thus enhancing the economic viability of the fuel decarbonization process.

Energy Resources↗

ComStock Measure Scenario Documentation: Laboratory-Informed Modeling of Standard Performance Heat Pump Rooftop Units

This measure scenario replaces gas and electric resistance RTUs in the U.S. commercial building stock with standard efficiency commercial off the shelf heat pump rooftop units. This study uses performance data informed by NREL laboratory testing of a standard efficiency 7.5-ton heat pump RTU. This is the key distinction between this measure scenario and a similar ComStock measure scenario - Standard Performance Heat Pump Rooftop Units - that uses published manufacturer data tables to inform performance. These two scenarios are compared in this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Detailed Evaluation of Electric Demand Load Shifting Potential of Heat Pump Water Heaters

Future utilities will emphasize home appliances to reduce greenhouse gas emissions while providing electric load shifting and demand profile management. Heat pump water heaters (HPWH) have demonstrated the ability to cut water heating energy by more than 65% compared with conventional electric resistance waters (ERWH). Laboratory research was conducted on the load shifting potential of grid-connected heat pump water heaters (HPWH), compared to ERWHs. Testing applied different CTA-2045 command designs. Highly-controlled laboratory experiments were conducted on one ERWH and four HPWHs, including a prototype incorporating the new CTA-2045-B protocol feature allowing ‘advanced’ load up above the tank setpoint. The prototype unit with the B-protocol increased tank temperature by 15oF (8.3C) under the advanced load up providing an increase of 1.8 kWh of storage for a 50-gallon (189 liter) tank. The prototype includes a built-in mixing valve to meet anti-scalding codes. With the load-shaping ability of CTA-2045-B, utilities might be able to store excess renewable energy in connected tanks when renewable wind and solar resource production is high. Tests were performed under baseline conditions (no load shift) and under several load-shifting schemes, including load up and advanced load up, ahead of shed commands. Grid-connected HPWHs reduced peak demand by as much as 0.5 kW, depending on tank volume, time of day, control scheme, and draw profile.

heat pump water heater, Demand flexibility, load s↗

Degradation of electrical resistivity of tungsten following shielded neutron irradiation

A major challenge for heat transfer in nuclear materials is to ensure thermal mobility after high amounts of neutron irradiation. Tungsten is widely selected as a heat transfer material in fusion reactors. In metals, thermal conductivity is dominated by electrons’ ability to transfer energy. Neutron irradiation generates point defects, clusters, and solid transmutation (e.g.rhenium and osmium in tungsten), which inhibit electron motion. The purpose of this work is to quantify the irradiation-induced change in electron mobility and deconvolute transmutation and microstructural effects on observed changes to electron mobility. Single and polycrystalline tungsten were fast neutron irradiated in the High Flux Isotope Reactor at Oak Ridge National Laboratory to doses between 0.2 and 0.7 displacements per atom (dpa) and temperatures from 500 °C to 1000 °C. Grain growth was observed in all samples. Microstructure and transmutation were quantified. The geometric orientation of samples with elongated grains has been shown to affect electrical resistivity. A mathematical model was developed and used to deconvolute solid-solution transmutation, grain, and temperature-dependent lattice effects on resistivity. At ~0.4 dpa at ~590 °C, the combined resistivity degradation due to voids, vacancies, interstitials, and dislocations is estimated to be greater than the contribution from solid solution Re transmutation, which is greater than the contribution from grain boundaries. At doses of ~0.7 dpa at ~750 °C, solid solution Re contributions are greater than all other effects combined. As a result, this work establishes a basis to predict the effects of irradiation temperature and transmutation on thermal properties of tungsten and highlights the importance of irradiation temperature.

36 MATERIALS SCIENCE↗

Extraordinarily strong magneto-responsiveness in phase-separated LaFe 2 Si

Materials responding vigorously to minor variations of external stimuli with negligible hysteresis could revolutionize many of the energy technologies, including refrigeration, actuation, and sensing. Here, we report a combined experimental and theoretical study of a two-phase composite, naturally formed at the LaFe 2 Si stoichiometry, which exhibits a nearly anhysteretic, two-step first-order ferromagnetic-to-paramagnetic phase transformation with enhanced sensitivity to an external magnetic field. Other unusual properties include a large plateau-like positive magnetoresistance, magnetic-field-induced temperature and entropy changes occurring over a wide temperature range, and a Griffiths-like phase associated with short-range ferromagnetic clustering in the paramagnetic state. The heat capacity, magnetization, Mössbauer spectroscopy, and electrical resistivity, all exhibit characteristic, unusually sharp, first-order discontinuities even in magnetic fields as high as 100 kOe. We expect that similar phenomena could be designed in other mixed-phase systems, leading to novel functionalities, such as giant caloric effects in many yet undiscovered or/and underperforming intermetallic compounds.

36 MATERIALS SCIENCE↗

Joint Geophysical and Numerical Insights of the Coupled Thermal‐Hydro‐Mechanical Processes During Heating in Salt

Abstract Salt offers an optimal medium for the permanent isolation of heat‐producing radioactive waste due to its impermeability, high thermal conductivity, and ability to close fractures through creep. A thorough understanding of the thermal‐hydrological‐mechanical (THM) processes, encompassing brine migration, is fundamental for secure radioactive waste disposal within salt formations. At the Waste Isolation Pilot Plant (WIPP), we conducted joint in situ geophysical monitoring experiments during active heating to investigate brine migration near excavations. This experiment incorporated electrical resistivity tomography (ERT) alongside high‐resolution fiber‐optic‐based distributed temperature sensing within a controlled heating experiment. Additionally, discrete element model (DEM) based numerical simulations were conducted to simulate THM processes during heating, providing a more mechanistic understanding of the coupled processes leading to the observed changes in geophysical measurements. During heating, resistivity shifts near the heater were reasonably explained by temperature effects. However, in more distant, cooler regions, the resistivity decrease exceeded predictions based solely on temperature. DEM simulations highlighted brine migration, propelled by pore pressure gradients, as the likely primary factor contributing to the additional resistivity decline beyond temperature effects. The comparison between the predicted ERT responses and observations was much improved when considering the effects of brine migration based on the DEM simulations. These geophysical and simulation findings shed light on brine migration in response to salt heating, enhancing our understanding of the coupled THM processes in salt for safe radioactive waste disposal.

58 GEOSCIENCES↗

Making Small-Volume Heat Pump Water Heaters Larger: A Design Framework for Integrated Phase Change Material Heat Exchangers

Those that use electricity for water heating, the majority use resistive elements rather than heat pump water heaters (HPWHs), the latter of which use 60-70% less energy than the former. One major barrier to wider HPWH adoption is the added equipment required, which prevents current 50-80-gallon tanks on the market from fitting into smaller utility closets sized for 30-40 gallons, such as those found in manufactured housing. Additionally, these smaller HPWHs tend to underperform relative to their larger counterparts. One solution that addresses both space and performance concerns is thermal energy storage, and in particular, phase change materials (PCMs). PCMs have been studied extensively in building envelope and HVAC systems, but remain a nascent technology in residential water heating. While water itself has a uniquely high energy storage capacity, PCMs have an even higher energy storage density, thus providing the potential to elevate the performance of 40-gallon HPWHs to that of 50-gallon or larger tanks. This research is part of a larger project that seeks to utilize thermal energy storage to enable decarbonized water heating in low-income communities. In this study, we outline the design process used to produce novel PCM heat exchangers for use in small-volume HPWH tanks, including the identification of design constraints and performance targets relevant to real-world applications. In order to ensure optimal PCM utilization and tank storage capacity, we focus here on co-maximizing surface area and PCM volume in the heat exchangers; therefore, this research targets triply periodic minimal surface (TPMS) lattices. TPMS lattices boast enhanced heat transfer capabilities compared to traditional heat exchanger geometries and offer highly tailorable designs; thus, they pair well with the growing field of additive manufacturing, or 3D printing. Starting with a suite of TPMS lattices, we demonstrate a systematic approach for narrowing down feasible designs that comply with identified constraints while meeting PCM performance objectives.

25 ENERGY STORAGE↗

Design Considerations for Phase Change Material-Incorporated Heat Exchangers in Water Heating

In recent years, the buildings sector has seen major pushes towards decarbonization through innovations that promote deep electrification. 20% of an average household's energy use comes from water heating, and in the US, over half of all households still use gas water heaters. Of those that use electricity for water heating, the majority use resistive elements rather than heat pump water heaters (HPWHs), the latter of which use 60-70% less energy than the former. However, HPWHs tend to have larger dimensions, preventing current 50-80-gallon tanks on the market from fitting into smaller utility closets sized for 30-40 gallons, such as those found in manufactured housing. Additionally, these smaller HPWHs tend to underperform relative to their larger counterparts. One solution that addresses both space and performance concerns is thermal energy storage, and in particular, phase change materials (PCMs). This study outlines the design process used to produce novel PCM heat exchangers for use in small-volume HPWH tanks, including the identification of design constraints and performance targets relevant to real-world applications. To ensure optimal PCM utilization and tank storage capacity, this works seeks to co-maximize surface area and PCM volume; therefore, this research targets triply periodic minimal surface (TPMS) lattices, which boast enhanced heat transfer capabilities compared to traditional heat exchanger geometries. Starting with a suite of TPMS lattices, we demonstrate a systematic approach for narrowing down feasible designs that comply with identified constraints while meeting PCM performance objectives. Our current results indicate that tuning lattice properties can effectively produce geometries that provide enough energy storage to achieve a 50-gallon capacity out of a 40-gallon HPWH, even when placing the PCM heat exchanger inside the tank. Additionally, we demonstrate successful fabrication of lattices with these tuned properties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Development and Testing of an Advanced Cascaded Thermoelectric Residential Heat Pump

Electricity-driven heat pumps using vapor compression cycle are an energy-efficient solution to replace fossil fuel burning and reduce greenhouse gas emissions for space heating in residential buildings. However, heating capacity and Coefficient of Performance (COP) of heat pumps degrade significantly with increasing temperature difference between ambient and indoor environments. Residents and building owners are hence reluctant to fully embrace electric heat pumps. The use of conventional all-electric heat pumps also causes concern for electric utilities due to an increased winter peak demand arising from the use of supplemental electric resistance heaters. Our research is an attempt to alleviate these concerns by designing and laboratory testing a thermoelectric (TE) heat pump cascaded with a vapor compression cycle to enhance heating capacity and COP. TE modules increase the subcooling in the refrigerant liquid of the vapor compression cycle to enlarge the evaporating capacity and works at an efficiency greater than a conventional electric resistance strip. This results in a simple, affordable, efficient and highly controllable solution to adequately meet space heating needs in dwellings. The laboratory testing of the 3-stage cascaded TE heat pump performed in this research has exhibited a higher heating capacity by above 15%, while maintaining a heating COP of 2.0-3.6 in the ambient temperature range of -18˚C to 8˚C (0˚F to 47 ˚F), which represents more than 60% of winter temperatures observed in US. If successfully commercialized, this technology can advance space-heating electrification by overcoming consumer cost barrier of heat pumps.

Shen, Bo↗

Electrically tunable metasurfaces incorporating a phase change material

Electrically tunable metasurfaces including an array of subwavelength metasurface unit elements are presented. The unit elements include a stacked metal-insulator-metal structure within which an active phase change layer is included. A purely insulator, metal, or coexisting metal-insulator phase of the active layer can be electrically controlled to tune an amplitude and phase response of the metasurfaces. In combination with the subwavelengths dimensions of the unit elements, the phase and amplitude response can be controlled in a range from optical wavelengths to millimeter wavelength of incident light. Electrical control of the unit elements can be provided via resistive heating produced by flow of current though a top metal layer of the unit elements. Alternatively, electrical control of the unit elements can be provided via electrical field effect produced by applying a voltage differential between the top and bottom metal layers of the unit elements.

Kim, Yonghwi↗

Effect of particle size on thermodynamics and lithium ion transport in electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles

This study compares the charging mechanisms, thermodynamics, lithium ion transport, and operando isothermal calorimetry in lithium-ion battery electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles synthesized by solid-state or sol-gel methods, respectively. First, electrochemical testing showed that electrodes made of Ti 2 Nb 2 O 9 nanoparticles exhibited larger specific capacity, smaller polarization, and better capacity retention at large currents than those made of Ti 2 Nb 2 O 9 microparticles. Furthermore, potentiometric entropy measurements revealed that electrodes made of either Ti 2 Nb 2 O 9 microparticles or nanoparticles showed similar thermodynamics behavior governed by lithium intercalation in solid solution, as confirmed by in situ XRD measurements. However, electrodes made of Ti 2 Nb 2 O 9 nanoparticles featured smaller overpotential and faster lithium ion transport than those made of Ti 2 Nb 2 O 9 microparticles. In fact, operando isothermal calorimetry revealed smaller instantaneous and time-averaged irreversible heat generation rates at electrodes made of Ti 2 Nb 2 O 9 nanoparticles, highlighting their smaller resistive losses and larger electrical conductivity. Finally, the measured total heat generation over a charging/discharging cycle matched the measured net electrical energy loss. Overall, Ti 2 Nb 2 O 9 nanoparticles synthesized by the novel sol-gel method displayed excellent cycling performance and reduced heat generation as a fast-charging lithium-ion battery anode material. These features present major advantages for actual battery systems including larger energy and power densities, simpler thermal management, and enhanced safety.

25 ENERGY STORAGE↗

$A$-type antiferromagnetic order and magnetic phase diagram of the trigonal Eu spin-$\frac{7}{2}$ triangular-lattice compound $\mathrm{EuSn_2As_2}$

The trigonal compound EuSn 2 As 2 was recently discovered to host Dirac surface states within the bulk band gap and orders antiferromagnetically below the N´eel temperature T N = 23.5(2) K from neutron-diffraction measurements. Here the magnetic ground state of single-crystal EuSn 2 As 2 and the evolution of its properties versus temperature T and applied magnetic field H are reported. Included are the zero-field single-crystal neutron diffraction measurements versus T, magnetization M(H, T), magnetic susceptibility χ(H, T) = M(H,T)/H, heat capacity C p (H, T), and electrical resistivity ρ(H, T) measurements. The neutron-diffraction and χ(T) measurements both indicate a collinear A-type antiferromagnetic (AFM) structure below T N , where the Eu 2+ spins S = 7/2 in a triangular ab-plane layer (hexagonal unit cell) are aligned ferromagnetically in the ab plane whereas the spins in adjacent Eu planes along the c axis are aligned antiferromagnetically. The χ(H ab , T) and χ(Hc, T) data together indicate a smooth crossover between the collinear AFM alignment and an unknown magnetic structure at H ≈ 0.12 T. Dynamic spin fluctuations up to 60 K are evident in the χ(T), Cp(T) and ρ(H, T) measurements, a temperature that is more than twice T N . The ρ(H, T) is consistent with a low-carrier-density metal with strong magnetic scattering and does not reflect a contribution of the topological state of the material as reported earlier by ARPES measurements. This observation is consistent with previous ones for other topological insulators where the chemical potential is above the Dirac point so that ARPES readily detects the surface states, whereas resistivity measurements do not. Finally, the magnetic phase diagrams for both H ∥ c and H ∥ ab in the H-T plane are constructed from the T N (H), χ(H, T), Cp(H, T), and ρ(H, T) data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗