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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization of Biomass-Based Fuels and Fuel Blends for Low-Emissions, Advanced Compression Ignition Engines (Final Report)

The goal of the Co-Optima program was to accelerate deployment of co-optimized fuels and engines that will reduce fuel consumption, and criterion pollutants and greenhouse gas (GHG) emissions for both spark and compression-ignited engines. In this project, combustion measurements from a constant pressure flow rig (CPFR) with optical access were used to assess fundamental combustion behavior of number of different candidate fuels and fuel blends. This chamber and its peripheral systems allowed stable control of ambient air pressure and temperature and fuel injection pressure and timing for hundreds of repeat injections allowing statistical interpretation of the results. The optical diagnostics enabled capturing of liquid length, vapor length, ignition timing, lift-off length as well as localized (temporal and spatially resolved) mixture refractive index, flame structure, and soot mass. The operating conditions allowed the study of combustion conditions promoting lean lifted flame combustion (LLFC), a mixing-controlled low-temperature combustion (LTC) strategy to reduce soot production in Advanced Compression Ignition (ACI) engines.

09 BIOMASS FUELS↗
DOE OSTI2024

A Portable Miniature Cryogenic Environment for In Situ Neutron Diffraction

Neutron diffraction instruments offer a platform for materials science and engineering studies at extended temperature ranges far from ambient. As one of the widely used neutron sample environment types, cryogenic furnaces are usually bulky and complex, and they may need hours of beamtime overhead for installation, configuration, cooling, and sample change, etc. To reduce the overhead time and expedite experiments at the state-of-the-art high-flux neutron source, we developed a low-cost, miniature, and easy-to-use cryogenic environment (77–473 K) for in situ neutron diffraction. A travel-size mug serves for the environment where the samples sit inside. Immediate cooling and an isothermal dwell at 77 K are realized on the sample by direct contact with liquid N 2 in the mug. The designed Al inserts serve as the holder of samples and heating elements, alleviate the thermal gradient, and clear neutron pathways. Both a single-sample continuous measurement and multi-sample high-throughput measurements are demonstrated in this environment. High-quality and refinable in situ neutron diffraction patterns are acquired on model materials. The results quantify the orthorhombic-to-cubic phase transformation process in LiMn 2 O 4 and differentiate the anisotropic lattice thermal expansions and bond length evolutions between rhombohedral perovskite oxides with composition variation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

We Just Want to Pump…You Up! Forecasting Grid-Connected Heat Pump Water Heater Energy Savings and Load Shifting Potential for the Southeast U.S.

Heat pump water heaters (HPWH) can achieve energy savings of 60-70% compared to conventional electric-resistance water heaters. However, even with a favorable simple payback period within the typical product lifetime, HPWHs make up only 1% of all electric water heaters sold in the residential sector. Market adoption is challenged, in part, by the lack of effective energy efficiency programs in the U.S. region with the greatest amount of residential electric water heaters. The recent integration of connected functionality into HPWHs offers the capability to shift load without undue negative impact on customers. This capability can provide value to utilities with peak load constraints, motivating them to promote HPWHs for the first time. This paper will present a methodology to forecast connected HPWH energy use and extrapolate load shifting potential for the Southeast U.S. region. The methodology leverages data from a robust connected HPWH field study conducted in the Pacific Northwest. A coefficient of performance (COP) relationship for HPWHs was developed using ambient and inlet water temperature data to forecast HPWH performance on a month-by-month basis. Using the forecasted COP, HPWH operating hours were calculated for meeting load, which serve as the proxy to extrapolate load shifting potential from the Pacific Northwest to the Southeast. As a use case, analytical results are presented for a specific utility. This methodology, in combination with market analysis, facilitates the development of customized energy savings and load shifting forecasts to understand the potential impacts of launching connected HPWH programs in specific utility service territories.

heat pump water heater, energy savings, load shift↗
DOE OSTI2022

Carnot Analysis of Heat Pump Drying: Ideal Efficiency and Dry Time

Drying processes are important in appliances and in industry, and clothes drying accounts for approximately 3% of residential primary energy consumption in the US. Globally, heat pump tumble dryers (HPD) are increasing their market share against the ubiquitous electric resistance tumble dryer (ERD). In this work, efficiency and dry time limits are defined for ideal HPDs, for both closed air cycle (unvented) and open air cycle (vented). These limits are compared with the limits for ERD. The traditional Carnot efficiency limit for an ideal heat pump, operating between a hot and a cold thermal reservoir, does not apply directly to clothes dryers. One reason dryers require a novel analysis is the presence of additional degrees of freedom, since the hot and cold temperatures are floating, unfixed by ambient conditions. Furthermore, dryers can operate in a closed or open air cycle, and each requires a different analysis. In the closed (unvented) case, the hot and cold temperatures are coupled to each other; while in the open (vented) case, the hot and cold temperatures are both independent free variables. This paper provides an analysis of the fundamental efficiency limits of ERDs and HPDs, which can inform the design and performance limits of evaporative drying technology.

Gluesenkamp, Kyle↗
DOE OSTI2020

Estimated Diffusion Out of a TRISO Particle Under Ambient Conditions

Many analyses performing diffusion calculations for tri-structural isotropic (TRISO) fuel focus on either reactor conditions or accident scenarios, both instances of elevated temperatures. However, it is worthwhile to understand the diffusion of different elements out of a TRISO particle at ambient atmospheric temperatures, i.e. atmospheric temperatures that are common on the Earth’s surface. This report will outline the thermal analysis and diffusion calculations and then present the results of a generic TRISO particle.

Ivanusa, Pavlo↗
DOE OSTI2020

High temperature operation to 500 °C of AlGaN graded polarization-doped field-effect transistors

AlGaN polarization-doped field-effect transistors were characterized by DC and pulsed measurements from room temperature to 500 °C in ambient. DC current-voltage characteristics demonstrated only a 70% reduction in on-state current from 25 to 500 °C and full gate modulation, regardless of the operating temperature. Near ideal gate lag measurement was realized across the temperature range that is indicative of a high-quality substrate and sufficient surface passivation. The ability for operation at high temperature is enabled by the high Schottky barrier height from the Ni/Au gate contact, with values of 2.05 and 2.76 eV at 25 and 500 °C, respectively. The high barrier height due to the insulatorlike aluminum nitride layer leads to an ION/IOFF ratio of 1.5 × 10 9 and 6 × 10 3 at room temperature and 500 °C, respectively. Transmission electron microscopy was used to confirm the stability of the heterostructure even after an extended high-temperature operation with only minor interdiffusion of the Ni/Au Schottky contact. The use of refractory metals in all contacts will be key to ensure a stable extended high-temperature operation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH 6 octahedra

Exploring high-temperature superconducting (high-T c ) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon interactions in X 2 MH 6 compounds (X = Li, Na, Mg, Al, K, Ca, Ga, Rb, Sr, and In; M are 3d, 4d, and 5d transition metals). These compounds have a cubic structure featuring an MH 6 octahedron motif. Our screening calculations suggest that 26 compounds exhibit dynamic stability and strong electron-phonon coupling. Among them, Mg 2 RhH 6 , Mg 2 IrH 6 , Al 2 MnH 6 , and Li 2 CuH 6 show promising energetic stability and T c of more than 50 K at ambient pressure. This study underscores promising high-T c compounds at ambient pressure with distinctive MH 6 motifs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The role of ambient gas confinement, plasma chemistry, and focusing conditions on emission features of femtosecond laser-produced plasmas

Ultrafast laser ablation coupled with optical emission spectroscopy is currently under development for standoff detection of elements and their isotopes for a wide range of application areas. In this work, we explore the role of ambient air pressure during the interaction of an ultrafast laser beam with two metallic targets (brass and uranium) with significantly different oxygen gas-phase reactivity. Plasma plumes were generated by focusing ~800 nm, ~35 fs pulses from an ultrafast laser system using a long focal length lens with f = 1 m. Two-dimensional spectral imaging was performed over the pressure range of 30 mTorr-700 Torr air to evaluate emission dynamics, plasma chemistry, signal-to-background ratio, and characteristic parameters (i.e. excitation temperature, electron density). An increase in ambient air pressure during ultrafast laser ablation leads to plume confinement and subsequent changes in the emission dynamics due to plasma chemistry as well as changes in plasma generation conditions (i.e. focused fs laser ablation versus filament ablation). Ablation crater morphologies were also investigated via scanning electron microscopy. Results indicate atomic emission intensity and signal-to-background ratios peak at moderate pressure levels (~50-100 Torr air) for both targets studied, although plasma chemistry influences uranium emission signatures. The emission features of the uranium plasma at pressures = 10 Torr showed the presence of atoms and oxide molecules which are co-located within the plume. We also find filament ablation leads to wider, more shallow craters compared to focused laser ablation. Our study provides unique insight into the interplay between plume dynamics, confinement, and oxygen chemistry of fs laser-produced plasmas and how these phenomena evolve with changing ambient air pressure.

Laser-produced plasma↗
DOE OSTI2025

Thermomagnetic generators for ultra-low-grade marine thermal energy harvesting

Low-grade thermal gradients in marine environments represent an underexploited energy source for autonomous sensing and monitoring. Converting such small temperature differences into usable electrical power remains a key challenge for ocean-deployed systems. We present a deployable thermomagnetic generator thoroughly characterized for marine-relevant energy harvesting. The device powers an internet-connected sensor and harvests ultra-low temperature differences akin to those at the ocean surface. It draws heat from water and rejects it to ambient air, operating optimally at a temperature difference (ΔT) of ~7.5 °C. Laboratory prototypes generated up to 6.7 mW at ΔT ~ 10 °C with gentle airflow (~1 m s -1 ). A separate controlled wave-tank demonstration validated stable operation and sensor powering under marine-like boundary conditions. Given its voltage and power margins, the generator could sustain multiple sensor nodes. Scalability and material assessments identify modular deployment and non-rare-earth alternatives as pathways toward practical marine energy harvesting and low-grade waste-heat recovery.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Testing Various Cement Formulations under Temperature Cycles and Drying Shrinkage for Low-Temperature Geothermal Wells

Low-enthalpy geothermal wells are considered a sustainable energy source, particularly for district heating in the Netherlands. The cement sheath in these wells experiences thermal cycles. The stability of cement recipes under such conditions is not well understood. In this work, thermal cycling experiments for intermediate- and low-temperature geothermal well cements have been conducted. The samples were cured either under ambient conditions or under realistic pressure and temperature for 7 days. The samples did not show any signs of failure after performing 10 cycles of thermal treatment between 100 °C and 18 °C. We also tested cement formulations under drying conditions. Drying shrinkage is caused by a reduction in the water content of cement, which leads to capillary forces that can damage cement. Such circumstances lead to tensile stresses causing radial cracks. Most samples exhibited cracks under low humidity conditions (drying). Fiber reinforcement, especially using short PP fibers, improved the cement’s resilience to temperature and humidity changes. Such additives can improve the longevity of cement sheaths in geothermal wells.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Pressure-induced changes in structure, magnetic order and superconductivity in the ferromagnetic topological insulator MnBi 8 Te 13

Introducing superconductivity (SC) in an intrinsic magnetic topological system remains a significant challenge in modern condensed matter physics. Here, we show that SC can be induced by applying high pressure to a promising ambient-pressure magnetic topological insulator candidate, MnBi 8 Te 13 . Using electrical transport, magnetic susceptibility, and synchrotron x-ray diffraction, we construct a detailed temperature - pressure phase diagram. The ambient-pressure ferromagnetic order is progressively suppressed and replaced by an antiferromagnetic state. Above 16.6 GPa, bulk SC emerges with a critical temperature up to 6.8 K. This pressure-induced SC may co-exist with another AFM dome. In contrast, the related compounds with higher magnetic ion (Mn) concentration show no SC, highlighting the crucial role of Mn concentration in stabilizing SC. The observation of pressure-induced FM-AFM-SC transitions in MnBi 8 Te 13 not only establishes it as a rare Mn-based SC but also provides a platform to study the interplay between magnetism, SC, and potentially nontrivial band topology in correlated magnetic materials.

Huyan, S. [Ames Laboratory, and Iowa State Univ., ↗
DOE OSTI2020

Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions: Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions

A systematic investigation of uranyl borates under different synthetic conditions resulted in five new 2D compounds, namely, (H 3 O)[(UO 2 )(BO 3 )], Li[(UO 2 )(BO 3 )] · (H 2 O), α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ], β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] and K 2.5 [(UO 2 ) 5 (BO 3 ) 2 O 2.5 (OH) 1.5 ] · (H 2 O) 2.5 . (H 3 O)[(UO 2 )(BO 3 )] and Li[(UO 2 )(BO 3 )] · (H 2 O) were obtained from hydrothermal reactions at 220 °C using the same mineralizer. Both materials possess the uranophane sheet topology with different symmetry of the unit cells. In the structure of (H 3 O)[(UO 2 )(BO 3 )] and Li[(UO 2 )(BO 3 )] · (H 2 O), UO 7 pentagonal bipyramids share edges and vertexes with four BO 3 planar triangles. α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] and β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] are polytypes. α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] was synthesized from a high-temperature solid-state reaction under ambient pressure; whereas β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] was obtained from a high-temperature/high-pressure (HT/HP) reaction. Both structures have an identical anion topology, but β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] crystallizes in space group with higher symmetry. In K 2.5 [(UO 2 ) 5 (BO 3 ) 2 O 2.5 (OH) 1.5 ] · (H 2 O) 2.5 , which was obtained from a hydrothermal reaction, UO 7 polyhedra share vertexes and edges with two independent BO 3 triangles, forming the most complex uranyl borate layers among all five compounds. The different synthetic routes, novel topologies, thermal behavior and Raman spectra are discussed.

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

Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal–Organic Frameworks

The UiO family of metal-organic frameworks (MOFs) has been extensively studied for several applications owing to their high stability rendered by their robust secondary building units. The efficient design and use of these materials require a fundamental understanding of their thermal stability and its impact on chemical and structural functionality. In this work, we provide a detailed characterization of the intrinsic thermal behavior of the UiO-67 and functional analogues, UiO-67-NH 2 and UiO-67-CH 3 . Using in situ temperature-programmed X-ray diffraction, we find that distortion of the carboxylate group on the organic linker leads to negative thermal expansion (NTE) of the UiO-67 MOFs during heating. This NTE behavior is correlated with rich and reversible thermal changes observed in the MOF infrared spectral signature as samples are heated to the sample activation temperature (473 K). We find that in the absence of oxygen, activated UiO-67 samples show higher thermal stability compared to ambient or inert environments, with temperature-programmed desorption revealing an overall stability trend: UiO-67 > UiO-67- CH 3 > UiO-67-NH 2 . Two stages of change are observed during thermal treatment above 473 K, which are directly related to deformation of the inorganic node and the isotropic NTE behavior of these materials. Ultimately, these results provide a real-time interpretation of the fundamental thermoresponsive behavior of UiO-67 MOFs and offer a foundation for accurate interpretation of MOF interactions with guest molecules and their temperature dependence.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High performance ionic-liquid-gated air doped diamond field-effect transistors

Here we report successful fabrication of high performance ion-gated field-effect transistors (FETs) on hydrogenated diamond surface. Investigations on the hydrogen (H)-terminated diamond by Hall effect measurements shows Hall mobility as high as ~200 cm 2 V –1 s –1 . In addition we demonstrate a rapid fabrication scheme for achieving stable high performance devices useful for determining optimal growth and fabrication conditions. We achieved H-termination using hydrogen plasma treatment with a sheet resistivity as low as ~1.3 kΩ/sq. Conductivity through the FET channel is studied as a function of bias voltage on the liquid ion-gated electrode from –3.0 to 1.5 V. Stability of the H-terminated diamond surface was studied by varying the substrate temperature up to 350 °C. It was demonstrated that the sheet resistance and carrier densities remain stable over 3 weeks in ambient air atmosphere even at substrate temperatures up to 350 °C, whereas increasing temperature beyond this limit has effected hydrogenation. This study opens new avenues for carrying out fundamental research on diamond FET devices with ease of fabrication and high throughput.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Band Structure-Driven Design of a α-CsPbI 3 Ammonia Sensor for Industrial Applications

We investigate the defect-dependent electronic structure and gas-sensing potential of cubic α-CsPbI 3 using first-principles density functional theory and nonadiabatic molecular dynamics. Among the intrinsic defects, interstitials, vacancies, antisites, and switches studied, the I Pb and Pb I antisite defects exhibit transition energy levels near the middle of the band gap, thus functioning as deep traps. Short-term adsorption of ammonia selectively modifies the electronic structure, coordinating with Pb at Pb I sites and Cs at I Pb sites, significantly altering recombination pathways. Detailed analysis reveals that NH 3 reduces anharmonicity at I Pb defects, enabling enhanced recombination at elevated temperatures, while trap-assisted recombination dominates at room temperature. Other analytes, including CH 3 NH 2 and NO 2 , show negligible impact on the band gap or recombination dynamics, highlighting the potential selectivity of NH 3 interactions. Ab initio nonadiabatic molecular dynamics simulations at 300 K and 600 K further demonstrate temperature-dependent modulation of carrier lifetimes, with NH 3 accelerating recombination at ambient conditions and suppressing certain pathways at higher temperatures. These findings suggest that α-CsPbI 3 can serve as a selective and sensitive ammonia sensor over a broad temperature range and offer insights for ammonia detection under industrially relevant conditions.

ammonia sensor↗
DOE OSTI2023

Phase diagram to demarcate supercritical, transcritical, and continuous phase regimes for binary fluid equilibrium mixing relevant to combustion applications

Here, a robust methodology to develop phase diagrams of binary fluid mixtures at fixed thermo dynamic conditions (pressure, temperature, and mole fraction) as well as of two initially separated fluids undergoing mixing near critical conditions are presented for fluids and con ditions relevant to rockets, gas turbines, and diesel engine applications. Phase equilibria of mixtures is first examined to provide insight into the continuous-phase mixing behavior (including but not limited to supercritical behavior), and to develop a broadly applicable phase-diagram for binary fluid mixtures at fixed conditions. Next, adiabatic mixing theory and reduced Helmholtz equations of state are used to predict the thermodynamic conditions required to attain continuous-phase binary fluid mixing near critical conditions. Then, a 3D surface diagram (P,T fuel ,T amb ) separating single and two-phase regions is constructed by varying the ambient pressure and the initial temperatures of the two fluids. Polynomial fits of the 3D surfaces for 10 different binary mixtures are tabulated for nitrogen-alkane and methane-oxygen blends relevant to air-breathing and propellant based engines, respectively.

42 ENGINEERING↗
DOE OSTI2021

Quantifying the influence of different biocrust community states and their responses to warming temperatures on soil biogeochemistry in field and mesocosm studies

Biocrusts influence soil biogeochemistry by fixing carbon (C) and nitrogen (N) and through leachate inputs to soils. Functional rates can vary among biocrust community states and in response to edaphic properties, heterotrophic microbial activity, and global change. Using soils and biocrusts from the Colorado Plateau, Utah, USA, we aimed to quantify the influence of early-successional (ES) and late-successional (LS) biocrust community states on soil biogeochemistry. In a field setting, we found soil was less “fertile” under ES than LS biocrust, but ES biocrust had a relative influence 1.3 times greater than LS biocrust on soil fertility. Leachate collected from LS biocrust had, on average, 6 times more organic C and 1.7 times more dissolved N than ES biocrust, but concentrations of phosphorus (P) and inorganic N did not differ among the two biocrust types. Here, to disentangle influences of biocrusts and soil properties on biogeochemical pools, we constructed mesocosms from homogenized soil and left the surface bare or covered with ES or LS biocrust, before assignment to ambient or warmed (+5 °C) temperature treatments for 3 months. Multivariate biogeochemical properties differed among cover types, yet all exhibited losses of P, N, and organic C and nearly half of the biogeochemical variables considered did not differ among cover types. Mesocosms with LS biocrust retained more dissolved N, supported 8 additional, significant correlations among biogeochemical pools of the biocrust and mineral soil layer on average, and lost fewer of these correlations under warming. Overall, while soils under LS biocrusts were more fertile (i.e., had higher nutrient concentrations) than under ES, we did not find evidence implicating leachate as the primary driver of this difference. Biocrust influences on soil fertility were greater when mineral soil nutrients were in lower concentrations, highlighting the value of even incipient biocrusts for dryland functioning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Lattice response to ambient self-irradiation of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures

Self-irradiation in plutonium is a continuous process that introduces radiation damage ranging from point defects to nanoscale radiation damage as well as decay daughter product impurities that require to be accommodated by the host material. These changes are affecting the structure and properties of the material by lattice swelling, mechanical strengthening, and other alterations. X-ray diffraction and dilatometry studies have shown that the room temperature self-irradiation of δ-phase Pu-Ga alloys (2 and 7 at%Ga) results in swelling of the lattice that saturates after 0.1–0.2 displacement per atom (dpa) of accumulated lattice damage. Here, for a better understanding of these self- irradiation processes, defect accumulation and damage evolution, this time-of-flight neutron diffraction study investigates the impact of ambient self-irradiation effects on the structural evolution of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures (<120 K), associated with a varied history of storage time and thermal treatments. Two key behaviors were observed in the lattice evolution after exposure to cryogenic temperatures with respect to room-temperature accumulated self-irradiation damage. Samples with no self- irradiation damage accumulation under ambient conditions showed swelling of the lattice at the end of the measurement, while samples that accumulated significant self-irradiation damage under ambient conditions showed only a partial recovery of the lattice parameter value upon completion of the measurements (cooling followed by heating back to room temperature). Possible causes of the behavior are proposed, and their associated effects are discussed.

36 MATERIALS SCIENCE↗