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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnetic order in the van der Waals antiferromagnet CrPS 4 : Anisotropic H – T phase diagrams and effects of pressure

Here, single crystalline samples of the van der Waals antiferromagnet CrPS 4 were studied by measurements of specific heat and comprehensive anisotropic temperature- and magnetic-field-dependent magnetization. In addition, measurements of the heat capacity and magnetization were performed under pressures of up to ~ 21 and ~ 14 kbar, respectively. At ambient pressure, two magnetic transitions are observed: second order from a paramagnetic to an antiferromagnetic state at T N ~ 37 K, and a first-order spin reorientation transition at T * ~ 34 K. Anisotropic H – T phase diagrams were constructed using the M ( T , H ) data. As pressure is increased, T N is weakly suppressed with d T N / d P ≈ – 0.1 K/kbar. T * , on the other hand, is suppressed quite rapidly, with d T * / d P ≈ – 2 K/kbar, extrapolating to a possible quantum phase transition at P c ~ 15 kbar.

2-dimensional systems↗
DOE OSTI2021

Superconductivity in Y 4 RuGe 8 with a Vacancy-Ordered CeNiSi 2 -Type Superstructure

In this work, we report a new compound, Y 4 RuGe 8 , with a transition metal vacancy-ordered CeNiSi 2 -type superstructure, which has a superconducting transition at 1.3 K. Y 4 RuGe 8 crystals were grown by indium flux at relatively low temperatures (below 1273 K), which makes it possible to stabilize such a vacancy-ordered phase. The crystal structure of Y 4 RuGe 8 was solved by single-crystal X-ray diffraction and confirmed by transmission electron microscopy. The as-grown Y 4 RuGe 8 crystals are always twinned, crystallizing in the space group $P\bar{1}$(no. 2) with the lattice parameters a = 5.7680(1) Å, b = 8.2042(2) Å, c = 11.5093(3) Å, α = 79.696(1)degrees, β = 88.491(1)degrees, and γ = 79.637(2)degrees; this structure is a superstructure deriving from the higher symmetry CeNiSi 2 -type structure (Cmcm, no. 63) due to the ordering of Ru vacancies. The ordering of Ru sites breaks slightly distorted Ge planes in the CeNiSi 2 prototype into infinite cis-trans Ge chains in Y 4 RuGe 8 . The presence of bulk superconductivity in Y 4 RuGe 8 is well supported by zero resistance and a jump in specific heat at the critical transition temperature. The Sommerfeld coefficient (19 mJ K -2 mol -1 ) of the specific heat is greater than that (11 mJ K -2 mol -1 ) estimated using the bare density of states (4.7 states/eV/f.u.) from first-principles calculations. The ab initio calculations indicate that 4d electrons of both Y and Ru and 4p electrons of Ge are the main contributors to the total density of states at the Fermi level in Y 4 RuGe 8 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

An analytic and complete equation of state for condensed phase materials

Analytic equations of state (EOS) are intended to reproduce theoretical and experimental data in a single phase portion of the thermodynamic space. We devise a complete and thermodynamically consistent model with four distinct features: (1) a reference isotherm that remains thermodynamically stable, (2) a flexible specific heat model based on a fourth-order rational polynomial, (3) a Grüneisen parameter that depends on specific volume and temperature, and (4) pressure and internal energy functions that can be inverted analytically in temperature. The model aims to improve the accuracy of existing equations of state while remaining computationally efficient. To demonstrate its features, we include calibrations for single-crystal pentaerythritol tetranitrate (PETN), liquid nitromethane (NM), and hexagonal close-packed beryllium (Be) metal. The parameter optimization uses the specific heat capacity, Grüneisen parameter, and static compression curves obtained from density functional theory for the crystalline solids and molecular dynamics simulations for liquid NM. We also present a velocity autocorrelation function that yields accurate phonon densities of states for the EOS calibration from the molecular dynamics trajectories. Each of the three calibrations is constrained to enforce the ambient state from experimental measurements and validated against experimental Hugoniot data from multiple sources. We also include one-dimensional hydrodynamic simulations of the isentropic compression experiments for beryllium conducted at the Z facility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Probing putative orbital differentiation effects via Eu 2+ spin dynamics in Sr 1-x Eu x Fe 2 As 2

Here, in this work, we report x-ray powder diffraction, elemental analysis, electrical resistivity, magnetic susceptibility, specific heat, and electron spin resonance (ESR) in single crystals of Sr 1-x Eu x Fe 2 As 2 . We observed a breakdown of the previously reported scaling between the Eu 2+ Korringa relaxation rate obtained from ESR and the spin density wave temperature evolution for Sr-rich samples. This result suggests a distinct evolution of the orbital differentiation of the Fe 3d bands along the Sr-based series when compared to the Ba counterpart. We argue that this difference is related to a larger splitting between the structural (tetragonal-to-orthorhombic) and the Fe-driven spin density wave transitions induced by Eu doping in this series. In fact, our results indicate that the two transitions follow an opposite x-Eu dependence for Sr-concentrated samples. Our work shows that Sr 1-x Eu x Fe 2 As 2 series and the comparison with their Ba-based counterparts are exciting platforms to be explored for understanding the interplay among orbital differentiation, magnetism, and structural distortions in the iron pnictides

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Competition of magnetocrystalline anisotropy of uranium layers and zigzag chains in UNi 0.34 Ge 2 single crystals

Structural and thermodynamic properties of single-crystalline UNi 1-x Ge 2 with x = 0.66 have been investigated by measuring magnetization, specific heat, and thermal expansion over a wide range of temperatures and magnetic fields. The measurements revealed the emergence of a long-range antiferromagnetic ordering of uranium magnetic moments below the Néel temperature T N = 45.5 (1) K and the existence of two easy axes in the studied compound, namely b and c, which correspond to the planes of the uranium zig-zag chains. A magnetic field applied along these two crystallographic directions induces in the system a first-order metamagnetic phase transition (from antiferromagnetic to field-polarized paramagnetism), and the width of the magnetic hysteresis associated with that transition reaches as much as 40 kOe at the lowest temperatures. A magnetic phase diagram developed from the experimental data showed that the metastable region associated with that magnetic hysteresis forms a funnel that narrows toward the N´eel point in a zero magnetic field. The four-layer Ising model has successfully predicted the colinear antiferromagnetic structure in UNi 0.34 Ge 2 (known from earlier reports), its magnetic phase diagram, and temperature and field variations of its magnetization. Moreover, it suggests that the first-order phase transition extends down to zero magnetic field, although it is barely detectable in the experiments performed in low magnetic fields. According to this model, the second-order phase transition occurs in the compound only in zero field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Multiscale characterization of phase change materials for building thermal energy storage applications

Phase change materials (PCMs) store and release large amounts of thermal energy because of their high latent energy storage capacity. However, long-term cyclic stability, supercooling and performance-scalability are some of the major challenges for their use in building thermal energy storage (TES) applications. Here, in this study, we present a comprehensive multiscale characterization of two commercially available organic PCMs, Puretemp 18 and Puretemp 23. At the microscale, differential scanning calorimetry (DSC) was used to characterize phase change temperature, specific heat, and latent heat. At the mesoscale, a heat flow meter apparatus (HFMA), following the ASTM C1784 standard, was employed to measure the phase change temperature, specific heat, and latent heat properties. A comparative analysis of latent heat as a function of temperature was conducted by integrating the DSC and HFMA results. At the macroscale, the thermal performance and cyclic stability of the TES system was evaluated using Puretemp 23. The TES system consisted of a finned tube heat exchanger with a storage volume of 0.0189 m 3 (5 gal), which represents a compact, real-world TES solution suitable for building energy storage. The results showed consistent thermal stability of the PCM over 200 cycles, and the supercooling temperature remained within 0.2 °C, which was not detected in smaller-scale characterization methods. Additionally, the macroscale testing methodology of the PCM revealed that the TES is able to charge and discharge stored latent energy within 2 h under a temperature differential of 16.67 °C measured between the inlet water temperature and the phase transition temperature of the PCM. The proposed multiscale PCM characterization method provides a systematic basis for comparing important thermal storage properties while also investigating the scalability, reliability and integration challenges in large scale TES applications.

Latent heat↗
DOE OSTI2020

Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory

Thermal storage and transfer fluids have important applications in industrial, transportation, and domestic settings. Current thermal fluids have relatively low specific heats, often significantly below that of water. However, by introducing a thermochemical reaction to a base fluid, it is possible to enhance the fluid's thermal properties. Here, density functional theory (DFT) is used to screen Diels–Alder reactions for use in aqueous thermal fluids. From an initial set of 52 reactions, four are identified with moderate aqueous solubility and predicted turning temperature near the liquid region of water. These reactions are selectively modified through 60 total functional group substitutions to produce novel reactions with improved solubility and thermal properties. Among the reactions generated by functional group substitution, seven have promising predicted thermal properties, significantly improving specific heat (by as much as 30.5%) and energy storage density (by as much as 4.9%) compared to pure water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermal 𝑅⁢𝐶 circuit model for resolving the thermal paradox

Thermal measurements of heat capacity and thermal conductivity in a wide range of insulators and superconductors exhibit a “thermal paradox”: a large linear specific heat reminiscent of neutral Fermi surfaces (associated with fractionalized quasiparticles) in nonmetallic samples that exhibit no corresponding linear temperature coefficient to the thermal conductivity. At first sight, these observations appear to support the formation of a continuum of thermally localized many-body excitations, a form of many-body localization that would be fascinating in its own right. Here, in this work, by mapping thermal conductivity measurements onto thermal 𝑅⁢𝐶 circuits, we argue that the development of extremely long thermal relaxation times, a “thermal bottleneck,” is likely in systems with either many-body localization or neutral Fermi surfaces due to the large ratio between the electron and phonon specific heat capacities. We present a reevaluation of thermal conductivity measurements in materials exhibiting a thermal paradox that can be used in future experiments to deliberate between these two exciting alternatives.

heat transfer↗
DOE OSTI2024

Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material’s thermal conductivity and specific heat are almost constant from 25 °C to 1000 °C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 °C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.

Martins, Ricardo (ORCID:0000000177685704)↗
NASA NTRS1972

Comparison of turbine annulus mass flow computed by one- and two-dimensional analysis

Variations in specific heat ratio, flow angle, critical velocity ratio, swirl distribution exponent, and radius ratio were considered in computing the mass flow. Variations in specific heat ratio had no significant effect and variations in critical velocity ratio had only small effect on computed mass flow between a one- and two-dimensional analysis. All non-free-vortex cases considered showed larger differences in computed mass flow between one- and two-dimensional analysis than for free vortex flow. For the non-free-vortex cases, decreasing radius ratio and increasing flow angle resulted in larger differences in mass flow as computed by the two methods.

Wasserbauer, C. A.↗
DOE OSTI2020

Ferrimagnetic 120 ° magnetic structure in Cu 2 OSO 4

We report magnetic properties of a 3d 9 (Cu 2+ ) magnetic insulator Cu 2 OSO 4 measured on both powder and single crystal. The magnetic atoms of this compound form layers whose geometry can be described either as a system of chains coupled through dimers or as a kagome lattice where every third spin is replaced by a dimer. Specific heat and DC susceptibility show a magnetic transition at 20 K, which is also confirmed by neutron scattering. Magnetic entropy extracted from the specific heat data is consistent with an S=1/2 degree of freedom per Cu 2+ , and so is the effective moment extracted from DC susceptibility. The ground state has been identified by means of neutron diffraction on both powder and single crystal and corresponds to an ~120° spin structure in which ferromagnetic intradimer alignment results in a net ferrimagnetic moment. No evidence is found for a change in lattice symmetry down to 2 K. Finally, our results suggest that Cu 2 OSO 4 represents a type of model lattice with frustrated interactions where interplay between magnetic order, thermal and quantum fluctuations can be explored.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Electronic structure and properties of magnetic defects in Co(1+x)Al(1-x) and Fe(1+x)Al(1-x) alloys

CoAl and FeAl compounds are developed along two directions. Magnetic susceptibility and specific heat at low temperature on (NiCo)Al and (CoFe)Al ternary alloys are in good agreement with band calculations. Results on magnetization and specific heat under field at low temperature on nonstoichiometric compounds show clearly the importance of the nearest neighbor effects. In the case of CoAl, the isolated cobalt atoms substituting aluminum are characterized by a Kondo behavior, and, for FeAl, the isolated extra iron atoms are magnetic and polarize the matrix. Moreover, for the two compounds, clusters of higher order play a considerable part in the magnetic properties for CoAl, these clusters also seem to be characterized by a Kondo behavior, for FeAl, these clusters whose moment is higher than in the case of isolated atoms, could be constituted of excess parts of iron atoms.

Abbe, D.↗
NASA NTRS1972

Shock interference heating in hypersonic flows.

This paper presents results of a theoretical and experimental study of shock interference heating which encompassed a variety of basic body shapes and flow conditions. Measurements of pressure and heat transfer were obtained in four wind tunnels at NASA-Langley Research Center. These data cover the Mach number range from 6 to 20, and specific heat ratio range from 1.20 to 1.67. Peak heating measurements up to 17 times ordinary stagnation point rates and pressure peaks up to 8 times freestream pitot pressure were recorded. Numerical results from computer codes developed for each of the six types of interference compare favorably with most of the experimental data. A theoretical parametric study determined the effects of Mach number, specific heat ratio, and impinging shock strength on amplification of pressure and heat transfer. The results of this study show that shock interference is important for hypersonic vehicles such as the Space Shuttle. The problem is aggravated by changes along the flight path of the particular type of interference and the location of regions of peak heat transfer and pressure.

Hains, F. D.↗
DOE OSTI2021

Ultra spin liquid in Lu 3 Cu 2 Sb 3 O 14

Abstract We analyze recent measurements of C / T , specific heat C divided by temperature T , of a recently observed ultra spin liquid. The measurements are carried out in magnetic fields on the triangular lattice compound . We show that the obtained heat capacity formed by the ultra spin liquid as a function of temperature T vs. magnetic field B behaves very similar to the electronic specific heat of the HF metal and the quantum magnet . We demonstrate that the effective mass of spinon exhibits the universal scaling coinciding with scaling observed in heavy-fermion (HF) metals and in . Based on these observations we conclude that a strongly correlated spin liquid determines the thermodynamic properties of the ultra spin liquid of .

Physics↗
NASA NTRS1997

NASA and ESA Ground Facility Simulations of Shuttle Orbiter Aerothermodynamics

The paper reviews a combined numerical and experimental activity on the Shuttle Orbiter, first performed at NASA Langley within the OEX workshop and subsequently at ESA, as part of the AGARD FDP WG 18 activities. The study at Langley was undertaken to resolve the pitch up anomaly observed during the entry of the first flight of the Shuttle Orbiter. The facilities used at NASA Langley were the 15-in. Mach 6, the 20-in, Mach 6, the 31-in. Mach 10 and the 20-in. Mach 6 CF4 facility. The paper focuses on the high Mach, high altitude portion of the first entry of the Shuttle where the vehicle exhibited a nose-up pitching moment relative to pre-flight prediction of (Delta C(sub m)) = 0 03. In order to study the relative contribution of compressibility, viscous interaction and real gas effects on basic body pitching moment and flap efficiency, an experimental study was undertaken to examine the effects of Mach, Reynolds and ratio of specific heats at NASA. At high Mach, a decrease of gamma occurs in the shock layer due to high temperature effects. The primary effect of this lower specific heat ratio is a decrease of the pressure on the aft windward expansion surface of the Orbiter causing the nose-up pitching moment. Testing in the heavy gas, Mach 6 CF4 tunnel, gave a good simulation of high temperature effects.

Muylaert, J.↗
NASA NTRS1974

Method for determining thermo-physical properties of specimens

The square root of the product of thermophysical properties q, c and k, where p is density, c is specific heat and k is thermal conductivity, is determined directly on a test specimen such as a wind tunnel model. The test specimen and a reference specimen of known specific heat are positioned at a given distance from a heat source. The specimens are provided with a coating, such as a phase change coating, to visually indicate that a given temperature was reached. A shutter interposed between the heat source and the specimens is opened and a motion picture camera is actuated to provide a time record of the heating step. The temperature of the reference specimen is recorded as a function of time. The heat rate to which both the test and reference specimens were subjected is determined from the temperature time response of the reference specimen by the conventional thin-skin calorimeter equation.

Jones, R. A.↗
DOE OSTI2022

Anisotropic thermal behavior of extrusion-based large scale additively manufactured carbon-fiber reinforced thermoplastic structures

Large format additive manufacturing (AM) enables rapid manufacturing of large parts and structures with minimum waste in material and energy. Extrusion-based AM deposition processes provide parts with highly anisotropic thermal properties, which are not typically reflected in textbook values for these materials. In order to develop accurate models that describe the directionally dependent thermal behavior of these materials in processing and service, accurate measurements of specific heat capacity and thermal conductivity are required. Here, this work characterizes, documents, and analyzes the effect of the anisotropic nature of the extrusion-based deposition process on the specific heat capacity and thermal conductivity of the resulting AM products. All measurements were made over a temperature range of 20–180°C using the transient plane source technique, also referred to as the hot disk technique. Three of the most commonly used large format AM feedstock materials that utilize carbon fiber reinforcement were examined in this work: acrylonitrile butadiene styrene, polyphenylene sulfide and polyphenylsulfone. Finally, these findings can serve as a thermal design/process guideline for future large format AM applications.

36 MATERIALS SCIENCE↗