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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Interaction of magnetic fields with spinons in a fractionalized state

The 4d-electron trimer lattice Ba₄Nb₁₋ₓRu₃₊ₓO₁₂ exhibits either a quantum spin liquid (QSL) or a heavy-fermion strange metal (HFSM) phase, depending on Nb content. In the QSL state, itinerant spinons act as effective heat carriers, enhancing thermal conductivity. Strikingly, applying a magnetic field up to 14 T causes an abrupt, up-to-5000% increase in heat capacity below 150 mK, disrupting the linear temperature dependence typical of both phases. Meanwhile, AC susceptibility and electrical resistivity remain nearly unchanged, while thermal conductivity drops by up to 40% below 4 K. These results suggest spinons, despite being charge-neutral, are highly sensitive to magnetic fields at low temperatures. We propose that the magnetic field could induce Anderson localization of spinons, creating emergent non-magnetic two-level systems responsible for the Schottky-like anomaly in heat capacity. These findings point to a previously unexplored regime of spinon dynamics, potentially governed by field-induced localization and distinct from conventional magnetic or transport signatures.

Condensed-matter physics↗
NASA NTRS1990

Calorimetric determination of thermal parameters for the Li/BrCl in SOCl2 (BCX) chemistry

The heat capacity of a Li-BCX DD-cell was found to be dependent on its state of charge by drop calorimetry measurements. The method of drop calorimetry involves measuring the energy (joules) gained or lost from a sample that is transferred from a bath at temperature A to one at temperature B. The thermoneutral potential is defined as the cell potential where the cell electrochemical reactions are neither exothermic nor endothermic. A Hart scientific calorimeter system, Model No. S77XX, designed for heat conduction calorimetry and drop calorimetry was used. Calorimetric analysis yielded a thermoneutral potential of 4.14 volts and a cell heat capacity dependent on the state of charge.

Darcy, Eric C.↗
DOE OSTI2022

Anisotropic magnetic and transport properties of orthorhombic o-Pr 2 Co 3 Ge 5

Abstract The crystal structure, electron energy-loss spectroscopy (EELS), heat capacity, and anisotropic magnetic and resistivity measurements are reported for Sn flux grown single crystals of orthorhombic Pr 2 Co 3 Ge 5 (U 2 Co 3 Si 5 -type, Ibam ). Our findings show that o -Pr 2 Co 3 Ge 5 hosts nearly trivalent Pr ions, as evidenced by EELS and fits to temperature dependent magnetic susceptibility measurements. Complex magnetic ordering with a partially spin-polarized state emerges near T sp = 32 K, with a spin reconfiguration transition near T M = 15 K. Heat capacity measurements show that the phase transitions appear as broad peaks in the vicinity of T sp and T M . The magnetic entropy further reveals that crystal electric field splitting lifts the Hund’s rule degeneracy at low temperatures. Taken together, these measurements show that Pr 2 Co 3 Ge 5 is an environment for complex f state magnetism with potential strongly correlated electron states.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Contrasting phase changes of precipitation annual cycle between land and ocean under global warming

The annual cycle of precipitation is a fundamental aspect of the water cycle with global ramification. Climate warming induces a robust phase delay1-5 in zonal mean tropical precipitation concomitant with an amplitude enhancement6-8. Here, we find a large land ocean contrast in the phase response of precipitation annual cycle, with a phase delay over land and a phase advance over ocean as climate warms. The phase delay over land is mainly attributed to the increase in the effective heat capacity of the atmosphere, while the phase advance over ocean is associated with a precipitation shift from land to ocean during the peak rainy season. Through the energetic constraint, this precipitation shift is closely related to the opposite changes in the amplitude of surface temperature annual cycle between land and ocean, both as consequences of basic climate feedback processes under global warming: weakening of the summer trade wind over the tropical ocean increases the surface temperature seasonal amplitude through evaporation, while an increase of the atmospheric effective heat capacity and surface cooling feedback induces opposite temperature amplitude changes over the tropical land. The opposite precipitation phase changes between land and ocean will have myriad implications for terrestrial/marine ecosystems and human activities.

Song, Fengfei↗
DOE OSTI2025

Static and dynamic properties of the frustrated spin-$\frac{1}{2}$ depleted-kagome antiferromagnet Cu 7 (TeO 3 ) 2 (SO 4 ) 2 (OH) 6

The structural and magnetic properties of the two-dimensional spin-$\frac{1}{2}$ depleted-kagome compound Cu 7 (TeO 3 ) 2 (SO 4 ) 2 (OH) 6 are investigated using x-ray diffraction, magnetization, heat capacity, and 1 H Nuclear Magnetic Resonance (NMR) measurements. From the analysis of magnetic susceptibility, we found a large Curie-Weiss temperature [𝜃 CW = −50⁢(2)⁢K] and the coexistence of antiferromagnetic and ferromagnetic interactions. The value of 𝜃 CW gives an estimate of the average nearest-neighbor antiferromagnetic interaction of 𝐽/𝑘 B ≃ 66K. The NMR relaxation rates (1/𝑇 1 and 1/𝑇 2 ) exhibit a peak, providing evidence for a magnetic long-range order at 𝑇* ≃ 4K which appears to be canted antiferromagnetic type. Heat capacity also features a broad maximum at 𝑇* that moves towards higher temperatures with increasing magnetic field, reflecting defect induced Schottky anomaly. The frustration parameter 𝑓 𝑟 = |𝜃 CW |/𝑇* ≃ 12.5 renders the compound a highly frustrated low-dimensional magnet.

Akshay, K. U. [Indian Institute of Science Educati↗
DOE OSTI2023

Structure and magnetic properties of Ba 9 ⁢V 3 ⁢Te 15 with ferromagnetic spin chains

Here we report a ferromagnetic compound Ba9⁢V3⁢Te15 with quasi-one-dimensional (1D) spin chains. It was synthesized at high-temperature and high-pressure conditions and systematically investigated via structural, transport, magnetic and heat capacity measurements. Ba9⁢V3⁢Te15 mainly consists of trimerized face-sharing V⁢Te6 octahedral chains running along the 𝑐 axis, which are separated by a distance of 10.184⁢(8)⁢Å, thus demonstrating a strong 1D structural character. Ba9⁢V3⁢Te15 is a semiconductor with a band gap ∼128meV and undergoes a ferromagnetic transition with 𝑇C∼3.6K. Far above 𝑇C, the short-range spin orders due to the intrachain spin coupling have developed, which leads to a negative magnetoresistance effect, the deviation of magnetic susceptibility from the Curie-Weiss law and 𝑇1/2 dependence of magnetic heat capacity. Our results reveal that Ba9⁢V3⁢Te15 provides a good opportunity to study the intrinsic properties of a system with quasi-1D ferromagnetic spin chains.

1-dimensional spin chains↗
NASA NTRS1972

An equation of state for oxygen and nitrogen 2

Preliminary equations of state for oxygen and nitrogen are presented which are the result of least squares fitting of the available P-density-T data, heat capacities at constant volume, and data to establish the criteria for phase equilibrium, simultaneously. The equation for nitrogen is applicable to 10,000 atmospheres at temperatures from 70 K to 1300 K, and the equation for oxygen to 350 atmospheres for temperatures from 56 K to 323 K. The development of the functional form of the equation of state, data weighting methods, and the techniques employed for least squares fitting of related data are discussed. Comparisons of the equation of state developed with selected values of experimental P-density-T data, and heat capacity values are included for both fluids.

Stewart, R. B.↗
DOE OSTI2021

Beyond magnons in Nd 2 ScNbO 7 : An Ising pyrochlore antiferromagnet with all-in–all-out order and random fields

We report the low-temperature magnetic properties of Nd 3+ pyrochlore Nd 2 ScNbO 7 . Susceptibility and magnetization show an easy-axis moment, and heat capacity reveals a phase transition to long-range order at T N =371(2) mK with a fully recovered ΔS=Rln(2), 53% of it recovered for T>T N . Elastic neutron scattering shows a long-range all-in all-out magnetic order with low-Q diffuse elastic scattering. Inelastic neutron scattering shows a low-energy flat band, indicating a magnetic Hamiltonian similar to Nd 2 Zr 2 O 7 . Nuclear hyperfine excitations measured by ultra-high-resolution neutron backscattering indicate a distribution of static electronic moments below T N , which may be due to B-site disorder influencing Nd crystal electric fields. Analysis of heat-capacity data shows an unexpected T-linear or T 3/2 term which is inconsistent with conventional magnon quasiparticles, but is consistent with fractionalized spinons or gapless local spin excitations. We use legacy data to show similar behavior in Nd 2 Zr 2 O 7 . Comparing local static moments also reveals a suppression of the nuclear Schottky anomaly in temperature, evidencing a fraction of Nd sites with nearly zero static moment, consistent with exchange-disorder-induced random singlet formation. Finally, taken together, these measurements suggest an unusual fluctuating magnetic ground state which mimics a spin liquid, but may not actually be one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

Absorber Materials for Transition-Edge Sensor X-ray Microcalorimeters

Arrays of superconducting transition-edge sensors (TES) can provide high spatial and energy resolution necessary for x-ray astronomy. High quantum efficiency and uniformity of response can be achieved with a suitable absorber material, in which absorber x-ray stopping power, heat capacity, and thermal conductivity are relevant parameters. Here we compare these parameters for bismuth and gold. We have fabricated electroplated gold, electroplated gold/electroplated bismuth, and evaporated gold/evaporated bismuth 8x8 absorber arrays and find that a correlation exists between the residual resistance ratio (RRR) and thin film microstructure. This finding indicates that we can tailor absorber material conductivity via microstructure alteration, so as to permit absorber thermalization on timescales suitable for high energy resolution x-ray microcalorimetry. We show that by incorporating absorbers possessing large grain size, including electroplated gold and electroplated gold/electroplated bismuth, into our current Mo/Au TES, devices with tunable heat capacity and energy resolution of 2.3 eV (gold) and 2.1 eV (gold/bismuth) FWHM at 6 keV have been fabricated.

Brown, Ari-David↗
DOE OSTI2023

Performance Analysis of High-Temperature Heat Pumps with Two-Phase Ejectors

A two-phase ejector recovers the energy in the refrigerant cycles’ throttling process, improving the coefficient of performance (COP) of high-temperature heat pumps (HTHPs). This study investigated the effects of the mixing pressure on the performance of two-phase ejectors and ejector-assisted HTHPs. A 1D theoretical model of a two-phase ejector was built to predict the internal fluid dynamics and evaluate ejector performance. A thermodynamic model of an ejector-assisted HTHP was built to evaluate the COP of HTHPs and the volumetric heating capacity of low-global warming potential refrigerants. The results demonstrate that an optimum mixing pressure in a two-phase ejector provides the best performance of a two-phase ejector and ejector-assisted HTHP. The optimum mixing pressure was slightly lower than the evaporation pressure. At this pressure, the two-phase flow in the ejector was subsonic. For ejector-assisted HTHPs using low–global warming potential refrigerants at a sink temperature of 120°C, temperature lift of 40°C, and subcooling of 10°C, a two-phase ejector has an average ejector efficiency of 0.334, and the COP and volumetric heating capacity were improved by 7.2% and 7.3%, respectively.

Wang, Pengtao↗
DOE OSTI2026

Field Demonstration and Adoption Impacts of an Affordable Thermoelectric Heat Pump

This study presents the design, field validation, and utility impacts of an air source heat pump that uses thermoelectric (TE) technology to provide supplemental heating at outside air temperatures below 17°F. Conventional heat pumps experience reduced heating capacity and COP at low outdoor temperatures due to the temperature difference between the source and demand sides of the vapor compression cycle. Consequently, during colder months, supplemental heating such as electric resistance or natural gas furnace is often needed to provide additional warmth, which increases the overall equipment and energy costs. To address this challenge, a TE subcooler (an array of solid-state, thermoelectric modules that provides heat pumping using non-vapor compression technique) is fabricated and integrated with the vapor compression cycle of a conventional air-source heat pump. In colder ambient conditions, TE subcooler exchanges heat with the refrigerant to provide additional subcooling, thereby enhancing the capacity of the heat pump. The operation of thermoelectric-integrated heat pump was demonstrated in an occupied single-family home in Nashville, TN. The TE subcooler increased the system’s heating capacity at 15°F outdoor temperature by 25–30% and reduced electricity demand by 10%. It also met the heating load in the house without supplemental electric resistance down to 5°F outdoors, delivering the additional heat at nearly 80% greater efficiency compared to electric resistance heating. With a modest first cost increment of 10–15% over conventional single-speed heat pumps, this approach offers a promising, energy-efficient solution to accelerate residential heat pump adoption in the U.S.

KRISHNAMOORTHY, Sreenidhi [Electric Power Research↗
NASA NTRS2023

Performance of High-Resolution Mo/Cu Transition Edge Sensors Fabricated Using a Lift-Off Process

The soft X-ray band below ≈0.5 keV is expected to provide rich information on metallicity, temperature, and distribution of hot gas in our galaxy and the intergalactic medium. Resolving these densely spaced emission lines requires energy resolution on the order of 1--2 eV. The low count rates from diffuse astrophysical sources also necessitate large collection areas, particularly for a sounding rocket instrument with short exposure times and limited resources. This translates to large pixel sizes (about 1 mm 2 ) for a reasonable number of read-out channels. To achieve the required energy resolution with 200 nm thin Au absorbers (heat capacity C about 1 pJ/K), we are developing TES microcalorimeters with very high temperature sensitivity (αI), low enough current sensitivity (βI), and minimal excess noise (M). Out of the various fabrication approaches for the TES bilayer we have explored, the lift-off approach (as pioneered for Mo/Au TES by Joel Weber at NIST) so far is the simplest to execute. The simple square TES geometries we have tested to date show promising results for αI and βI. Measured complex impedance and noise for bare devices without absorbers are well described by two-body thermal models and their excess noise is found to be consistent with predictions for mixed-down Johnson noise by Wessels et al. More sensitive measurements with larger heat capacity are planned to accurately determine excess noise. In this paper, we give an overview of the process and summarize results of our detailed characterization measurements for thermal conductance G, αI, βI, and noise for several devices across a range of bias points.

Felix T Jaeckel↗
DOE OSTI2022

Ferrimagnetic spin waves in honeycomb and triangular layers of Mn{sub 3}Si{sub 2}Te{sub 6}.

A detailed analysis of the ferrimagnetic ground state of Mn 3 Si 2 Te 6 has been performed using inelastic neutron scattering. Although the proposed valence of the nominal Mn 2+ ions would have quenched orbital angular momentum, a significant exchange anisotropy exists in Mn 3 Si 2 Te 6 . This apparent exchange anisotropy is a manifestation of a weak spin-orbit coupling in the layered material. We employ a detailed simulation of the spin-wave spectrum coupling traditional refinement of dispersion parameters to image analysis techniques, while including Monte Carlo simulations of the instrumental resolution to accurately identify the exchange couplings to the third nearest neighbor. An independent validation of our results is made by comparing our final Hamiltonian to heat capacity measurements.

Sala, G.↗
NASA NTRS2003

Theoretical Analysis of Thermodynamic Measurements near a Liquid-Gas Critical Point

Over the years, many ground-based studies have been performed near liquid-gas critical points to elucidate the expected divergences in thermodynamic quantities. The unambiguous interpretation of these studies very near the critical point is hindered by a gravity-induced density stratification. However, these ground-based measurements can give insight into the crossover behavior between the asymptotic critical region near the transition and the mean field region farther away. We have completed a detailed analysis of heat capacity, susceptibility and coexistence curve measurements near the He-3 liquid-gas critical point using the minimal-subtraction renormalization (MSR) scheme within the phi(exp 4) model. This MSR scheme, using only two adjustable parameters, provides a reasonable global fit to all of these experimental measurements in the gravity-free region out to a reduced temperature of |t| approx. 2x10(exp -2). Recently this approach has also been applied to the earlier microgravity measurements of Haupt and Straub in SF(sub 6) with surprising results. The conclusions drawn from the MSR analyses will be presented. Measurements in the gravity-affected region closer to the He-3 critical point have also been analyzed using the recent crossover parametric model (CPM) of the equation-of-state. The results of fitting heat capacity measurements to the CPM model along the He-3 critical isochore in the gravity-affected region will also be presented.

Barmatz, M.↗
DOE OSTI2020

Rethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study

The iron oxyhydroxide lepidocrocite (g-FeOOH) is an abundant mineral critical to a number of chemical and technological applications. Of particular interest is the ground state and nite temperature magnetic order, and the subsequent impact this has upon crystal properties. The magnetic properties, investigated in this work are governed primarily through superexchange interactions, and have been calculated using density functional theory and cluster expansion methods. Quantication of these exchange terms has facilitated the determination of the ground state magneto-crystalline structure and subsequent calculation of its lattice constants, elastic moduli, cohesive enthalpy, and electronic density of states. Further, using a collinear magnetic conguration model, the magnetic heat capacity versus temperature has been studied and the Neel temperature obtained.

Pope, Daniel J.↗
NASA NTRS1990

Thermodynamic properties and crystallization kinetics at high liquid undercooling

The heat capacities of liquid and crystalline Au-Pb-Sb alloys in the glass-forming composition range were measured with droplet emulsion and bulk samples. Based on the measured C(sub p) data, the entropy, enthalpy, and Gibbs free energy functions of the eutectic, solid mixture, and undercooled liquid were determined as a function of undercooling and compared with theoretical predictions. The results indicate an isentropic temperature at 313 + or - 5 K, which agrees well with experimental data for the glass transition. A kinetics analysis of the nucleation undercooling response suggests that the proper choice for the Gibbs free energy change during crystallization is most important in analyzing the nucleation kinetics. By classical nucleation theory, the prefactors obtained, based on a variety of theoretical predictions for the driving force, can differ by six orders of magnitude. If the nucleation rates are extrapolated to high undercooling, the extrapolations based on measured heat capacity data show agreement, whereas the predicted nucleation rates are inconsistent with results from drop tower experiments. The implications for microg experiments are discussed.

Fecht, Hans J.↗
DOE OSTI2024

KCl-UCl 3 molten salts investigated by Ab Initio Molecular Dynamics (AIMD) simulations

Ab Initio Molecular Dynamics (AIMD) simulations are performed on molten KCl-UCl3 salt mixtures to determine energies, heat capacities, and densities. The density-dependent energy correction (DFT-dDsC), Grimme et al.'s DFT-D3, and Langreth & Lundqvist (vdW-cx) models are used for dispersion forces and combined with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation potential with a Hubbard U parameter for the 5f electrons of uranium. After validating predictions for the end-member systems to literature data, KCl-UCl 3 mixtures are studied at select temperatures. Densities and energies both deviate from ideal solution behavior, with the maximum deviation occurring around 36% UCl 3 for mixing energies and slightly lower (29% UCl3) for densities. Compared to the NaCl-UCl 3 system, which was previously investigated using the same simulation methodologies, the KCl-UCl 3 density and mixing energy deviations from ideal solution behavior are larger by almost a factor of two. No deviation from ideal solution behavior for heat capacity was observed. The AIMD predictions for mixing energies and densities agree qualitatively with experimental data, though the spread in data obtained from the various dispersion force models utilized, measurements, and empirical estimates makes strong conclusions difficult. The dependence of thermodynamic and thermophysical properties on composition is correlated with the local chemistry of the solution phase, in particular, the tendency of UCl 3 to form network structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

KCl-UCl 3 molten salts investigated by Ab Initio Molecular Dynamics (AIMD) simulations: A comparative study with three dispersion models

Ab Initio Molecular Dynamics (AIMD) simulations are performed on molten KCl-UCl 3 salt mixtures to determine energies, heat capacities, and densities. The density-dependent energy correction (DFT-dDsC), Grimme et al.’s DFT-D3, and Langreth & Lundqvist (vdW-cx) models are used for dispersion forces and combined with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation potential with a Hubbard U param eter for the 5$f$ electrons of uranium. After validating predictions for the end-member systems to literature data, KCl-UCl 3 mixtures are studied at select temperatures. Densities and energies both deviate from ideal solution behavior, with the maximum deviation occurring around 36% UCl 3 for mixing energies and slightly lower (29% UCl 3 ) for densities. Compared to the NaCl-UCl 3 system, which was previously investigated using the same simulation methodologies, the KCl-UCl 3 density and mixing energy deviations from ideal solution behavior are larger by almost a factor of two. No deviation from ideal solution behavior for heat capacity was observed. The AIMD predictions for mixing energies and densities agree qualitatively with experimental data, though the spread in data obtained from the various dispersion force models utilized, measurements, and empirical estimates makes strong conclusions difficult. The dependence of thermodynamic and thermophysical properties on composition is correlated with the local chemistry of the solution phase, in particular, the tendency of UCl 3 to form network structures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗