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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Stability of the first-order character of phase transition in HoCo 2

HoCo 2 exhibits a giant magnetocaloric (MC) effect at its first-order magnetostructural phase transition around 77 K, and understanding the thermodynamic nature of this transition in response to external magnetic fields is crucial for its MC applications. In this study, we present a comprehensive investigation of specific heat and magnetization measurements of HoCo 2 under varying magnetic fields. The specific heat measurements qualitatively indicate a transformation from first- to second-order behavior of this phase transition at higher magnetic fields. However, analysis of the power-law dependence of the magnetic entropy change (Δ S M ∝H n ) and the breakdown of universal behavior in the temperature dependence of Δ S M suggest that the first-order nature remains intact, even up to 7 T. This stability of the first-order nature is further manifested through the distinctive non-linear behavior of modified Arrott plots, with a negative slope in the 6–7 T range.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Thermal capacitator design rationale. Part 1: Thermal and mechanical property data for selected materials potentially useful in thermal capacitor design and construction

The thermal properties of paraffin hydrocarbons and hydrocarbon mixtures which may be used as the phase change material (PCM) in thermal capacitors are discussed. The paraffin hydrocarbons selected for consideration are those in the range from C11H24 (n-Undecane) to C20H42 (n-Eicosane). A limited amount of data is included concerning other properties of paraffin hydrocarbons and the thermal and mechanical properties of several aluminum alloys which may find application as constructional materials. Data concerning the melting temperature, transition temperature, latent heat of fusion, heat of transition, specific heat, and thermal conductivity of pure and commercial grades of paraffin hydrocarbons are given. An index of companies capable of producing paraffin hydrocarbons and information concerning the availability of various grades (purity levels) is provided.

Bailey, J. A.↗
NASA NTRS1985

Desorption from interstellar grains

Different desorption mechanisms from interstellar grains are considered to resolve the conflict between the observed presence of gaseous species in molecular clouds and their expected depletion onto grains. The physics of desorption is discussed with particular reference to the process of grain heating and the specific heat of the dust material. Impulsive heating by X-rays and cosmic rays is addressed. Spot heating of the grains by cosmic rays and how this can lead to desorption of mantles from very large grains is considered. It is concluded that CO depletion on grains will be small in regions with A(V) less than five from the cloud surface and n(H) less than 10,000, in agreement with observations and in contrast to expectations from pure thermal equilibrium. Even in very dense and obscured regions and in the absence of internal ultraviolet sources, the classical evaporation of CO or N2 and O2-rich mantles by cosmic rays is important.

Leger, A.↗
NASA NTRS1989

Hot-jet simulation in cryogenic wind tunnels

In order to evaluate hot jet simulation capability in cryogenic wind tunnel testing, simple theoretical calculations were performed. The similarity parameters, isentropic flow properties, and normal shock relations were calculated for a variety of jet simulation techniques. The results were compared with those estimated for a full scale flight condition. It was shown that the cryogenic wind tunnel testing provides an opportunity for the most accurate hot jet simulation technique. By using a compressed nitrogen gas at ambient or moderately elevated temperatures as a jet gas, most all of the relevant similarity parameters including the jet temperature and velocity ratios and the Reynolds numbers, can be set to the full scale flight values. The only exception is the ratio of specific heats for jet flow. In an attempt to match the ratio of specific heats for the turbojet flow, gases other than pure nitrogen were considered. It was found that a nitrogen/methane mixture at moderately elevated temperature behaves like the real combustion gas. Using this mixture as a jet gas, complete simulation of the full scale turbojet exhaust becomes possible in cryogenic wind tunnels.

Asai, Keisuke↗
DOE OSTI2023

Enhancement of conventional concrete mix designs for sensible thermal energy storage applications

The study examines twenty-nine different concrete mix designs with varying constituents to improve thermal performance for energy storage at elevated temperatures up to 420 °C. Effects of variables including the type and volumetric percentage of coarse and fine aggregates, the type and replacement content of supplemental cementitious materials, water-to-cement ratio, the type and quantity of steel fiber reinforcement, and the inclusion of iron oxide powder are experimentally investigated by measuring the mechanical and thermal properties of each mix, with the overall goal of enhancing thermal performance and mitigating mechanical degradation for thermal energy storage (TES) applications. It is found that the use of siliceous aggregate with a high volumetric percentage produces the highest improvement (23 %–37 % at elevated temperatures) of concrete thermal conductivity, while silica fume replacement of Type I cement provides the highest improvement (4 %–8 % at elevated temperatures) of concrete specific heat. To simulate the operation of a TES system, thermal cycling was conducted to examine the change in concrete properties as a function of repetitive heating (during and after 50 total cycles to 420 °C). Based on the results of testing, concrete mix designs with high aggregate percentages (up to 72 % by volume), siliceous coarse aggregate, silica fume replacement of Type I cement (15 % by weight), and steel fiber reinforcement (up to 2 % by volume) facilitate enhanced TES performance by providing consistent thermal conductivity of ~2.2 W/m·K and specific heat of ~3.2 MJ/m 3 ·K under cyclic high temperature exposure.

25 ENERGY STORAGE↗
DOE OSTI2024

Predicted thermophysical properties of UN, PuN, and (U,Pu)N

Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Predicted thermophysical properties of UN, PuN and (U,Pu)N

Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Investigations into the Ternary NaF-KF-UF4 Salt System – Phase A

A knowledge gap exists in the data and understanding of fresh fuel salt and irradiated multicomponent fuel salt systems thermophysical properties. Quantifying these properties is necessary for the design and construction of test reactors, as well as the licensing of future commercial molten-salt reactors. To facilitate thermal property determination on a proposed fuel salt composition for Seaborg Technologies, several samples containing depleted uranium tetrafluoride (UF4), sodium fluoride (NaF), and potassium fluoride (KF) were blended, and a melt temperature analysis was performed. From the melting temperature analysis, it was determined that sample Seaborg-7, a ternary salt composition of 26.4UF4-24.7KF-48.9NaF (mol%), was very near a ternary eutectic point. Therefore, thermal properties such as melting temperature, salt stability, density, heat capacity, thermal diffusivity, and viscosity were experimentally determined on the Seaborg-7 salt. These measurements document the baseline properties of fresh fuel salt as a function of temperature, where future experiments on irradiated fuel salt will provide a holistic perspective on the change of thermophysical properties during reactor operations. Several precision instruments were used to collect property data, and instrument calibrations and data collection were performed and documented in a standardized and reproducible manner with meticulous detail. This process ensured that the measurement procedures and resulting data can readily be duplicated elsewhere. The Seaborg-7 salt was shown to be stable at temperatures up to 900°C, as no mass change was observed upon repeated heating and cooling. The peak melting temperature was determined to be 547°C (557°C endset). The enthalpy of fusion (??H?_fus^o) was determined to be 167.5 ± 2.7 J/g while the enthalpy of crystallization (??H?_c^o) was determined to be -147.8 ± 13.3 J/g. In addition to the eutectic melting peak, upon heating, several pre eutectic peaks were observed, occurring at 470°C (onset) and 499°C (peak). Specific heat capacity measurements showed a slightly increasing trend with respect to temperature in the solid phase, while the liquid-specific heat capacity showed a somewhat flat trend with an average value of 106.1 ± 1.24 J/mol·K between 600 to 800°C. Three independent trials using the Seaborg-7 salt determined the density to be ?(T) = 4.908 – 0.000363·T(°C), validated between 32 to 200°C, and ?(T) = 4.808 – 0.00113·T(°C), validated between ~575 to 850°C. Thermal diffusivity was determined for the liquid state and is represented by the linear equation y = 0.1581 + 0.000207·T(°C) between 550 to 850°C. The viscosity was determined from 600 to 800°C and is represented by the exponential fit equation, ? (mPa·s) = 736.58e^(-0.006·T(°C)). This report documents the conclusion of fuel salt thermophysical property measurements for the Seaborg SPP, Phase A project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Understanding magnetic phase coexistence in Ru 2 Mn 1-x Fe x Sn Heusler alloys: A neutron scattering, thermodynamic, and phenomenological analysis

The random substitutional solid solution between the antiferromagnetic (AFM) full-Heusler alloy Ru 2 MnSn and the ferromagnetic (FM) full-Heusler alloy Ru 2 FeSn provides a rare opportunity to study FM-AFM phase competition in a near-lattice-matched, cubic system, with full solubility. At intermediate x in Ru 2 Mn 1-x Fe x Sn this system displays suppressed magnetic ordering temperatures, spatially coexisting FM and AFM order, and strong coercivity enhancement, despite rigorous chemical homogeneity. Here, we construct the most detailed temperature- and x-dependent understanding of the magnetic phase competition and coexistence in this system to date, combining wide-temperature-range neutron diffraction and small-angle neutron scattering with magnetometry and specific heat measurements on thoroughly characterized polycrystals. A complete magnetic phase diagram is generated, showing FM-AFM coexistence between x ≈ 0.30 and x ≈ 0.70. Furthermore, important insight is gained from the extracted length scales for magnetic phase coexistence (25–100 nm), the relative magnetic volume fractions and ordering temperatures, and remarkable x-dependent trends in magnetic and electronic contributions to specific heat. An unusual feature in the magnetic phase diagram (an intermediate FM phase) is also shown to arise from an extrinsic effect related to a minor Ru-rich secondary phase. The established magnetic phase diagram is then discussed with the aid of phenomenological modeling, clarifying the nature of the mesoscale phase coexistence with respect to the understanding of disordered Heisenberg models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pressure tuning of structural and magnetic transitions in EuAg 4 As 2

We report temperature-dependent measurements of ambient-pressure specific heat, magnetic susceptibility, anisotropic resistivity, and thermal expansion as well as in-plane resistivity under pressure up to 20.8 kbar on single crystals of EuAg 4 As 2 . Based on thermal expansion and in-plane electrical transport measurements at ambient pressure this compound has two, first-order, structural transitions in the 80–120 K temperature range. Ambient-pressure specific heat, magnetization, and thermal expansion measurements show a cascade of up to seven transitions between 8 and 16 K associated with the ordering of the $Eu^{2+}$ moments. In-plane electrical transport is able to detect the more prominent of these transitions, at 15.5, 9.9, and 8.7 K, as well as a weak feature at 11.8 K at ambient pressure. Pressure-dependent electrical transport data show that the magnetic transitions shift to higher temperatures under pressure, as does the upper structural transition, whereas the lower structural transition is suppressed and ultimately vanishes. A jump in resistivity, associated with the upper structural transition, decreases under pressure with an extrapolated disappearance (or a change of sign) by 30–35 kbar. In the 10–15 kbar range a kink in the pressure dependency of the upper structural transition temperature as well as the high- and low-temperature in-plane resistivities suggests that a change in the electronic structure may occur in this pressure range. The results are compared with the literature data for EuAg 4 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetic properties of a spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ honeycomb lattice

The interplay between spin-orbit coupling, anisotropic magnetic interaction, frustration-induced quantum fluctuations, and spin correlations can lead to novel quantum states with exotic excitations in rare-earth-based quantum magnets. Herein, we present the crystal structure, magnetization, electron spin resonance (ESR), specific heat, and nuclear magnetic resonance (NMR) experiments on the polycrystalline samples of $\mathrm{Ba_9}$$\mathrm{Yb_2}$$\mathrm{Si_6}$$\mathrm{O_{24}}$, in which $\mathrm{Yb^{3+}}$ ions form a perfect honeycomb lattice without detectable antisite disorder. The magnetization data reveal antiferromagnetically coupled spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ degrees of freedom of $\mathrm{Yb^{3+}}$ ions in the Kramers doublet state. The ESR measurements reveal that the first excited Kramers doublet is 32.3(7) meV above the ground state. The specific heat results suggest the absence of any long-range magnetic order in the measured temperature range. Furthermore, the $\mathrm{^{29}Si}$ NMR results do not indicate any signature of magnetic ordering down to 1.6 K, and the spin-lattice relaxation rate reveals the presence of a field-induced gap that is attributed to the Zeeman splitting of the Kramers doublet state in this quantum material. Here, our experiments detect neither spin freezing nor long-range magnetic ordering down to 1.6 K. The current results suggest the presence of short-range spin correlations in this spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ rare-earth magnet on a honeycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Lunar ash flow with heat transfer.

The most important heat-transfer process in the ash flow under consideration is heat convection. Besides the four important nondimensional parameters of isothermal ash flow (Pai et al., 1972), we have three additional important nondimensional parameters: the ratio of the specific heat of the gas, the ratio of the specific heat of the solid particles to that of gas, and the Prandtl number. We reexamine the one dimensional steady ash flow discussed by Pai et al. (1972) by including the effects of heat transfer. Numerical results for the pressure, temperature, density of the gas, velocities of gas and solid particles, and volume fraction of solid particles as function of altitude for various values of the Jeffreys number, initial velocity ratio, and two different gas species (steam and hydrogen) are presented.

Pai, S. I.↗
NASA NTRS1981

Two-component Fermi-liquid theory - Equilibrium properties of liquid metallic hydrogen

It is reported that the transition of condensed hydrogen from an insulating molecular crystal phase to a metallic liquid phase, at zero temperature and high pressure, appears possible. Liquid metallic hydrogen (LMH), comprising interpenetrating proton and electron fluids, would constitute a two-component Fermi liquid with both a very high component-mass ratio and long-range, species-dependent bare interactions. The low-temperature equilibrium properties of LMH are examined by means of a generalization to the case of two components of the phenomenological Landau Fermi-liquid theory, and the low-temperature specific heat, compressibility, thermal expansion coefficient and spin susceptibility are given. It is found that the specific heat and the thermal expansion coefficient are vastly greater in the liquid than in the corresponding solid, due to the presence of proton quasiparticle excitations in the liquid.

Oliva, J.↗
NASA NTRS1984

Theory of the spin-1 bosonic liquid metal - Equilibrium properties of liquid metallic deuterium

The theory of a two-component quantum fluid comprised of spin-1/2 fermions and nonzero spin bosons is examined. This system is of interest because it embodies a possible quantum liquid metallic phase of highly compressed deuterium. Bose condensation is assumed present and the two cases of nuclear-spin-polarized and -unpolarized systems are considered. A significant feature in the unpolarized case is the presence of a nonmagnetic mode with quadratic dispersion owing its existence to nonzero boson spin. The physical character of this mode is examined in detail within a Bogoliubov approach. The specific heat, bulk modulus, spin susceptibility, and thermal expansion are all determined. Striking contrasts in the specific heats and thermal-expansion coefficients of the liquid and corresponding normal solid metallic phase are predicted.

Oliva, J.↗
DOE OSTI2021

Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping

We report CoSn is a Pauli paramagnet with relatively flat d bands centered about 100 meV below the Fermi energy, E F . Single crystals of CoSn lightly doped with Fe, In, or Ni are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, AC susceptibility, specific heat, and resistivity measurements. Within the rigid-band approximation, hole doping with a few percent of Fe or In should move the flat bands closer to E F , whereas electron doping with Ni should move the flat bands further away from E F . We provide evidence that this indeed occurs. Fe and In doping drive CoSn toward magnetism, while Ni doping suppresses CoSn's already weak magnetic response. The resulting ground state is different for Fe versus In doping. For Fe-doped crystals, Co 1-x Fe x Sn, with 0.02< x <0.27, the magnetic and specific-heat data are consistent with the formation of a spin glass, with a glass temperature, T g , ranging from 1 K for x = 0.02 to 10 K for x = 0.27. Powder and single-crystal neutron diffraction found no evidence of long-range magnetic order below T g for samples with x ≈ 0.17. For In-doped crystals, CoSn 1-y In y , both the magnetic susceptibility and the Sommerfeld coefficient, γ, increase substantially relative to pure CoSn, but with no clear indication of a magnetic transition for 0.05< y <0.2. CoSn crystals doped with Ni (Co 0.93 Ni 0.07 Sn) have a significantly smaller magnetic susceptibility and γ than pure CoSn, consistent with flat bands further from E F .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Magnetic properties of equiatomic CrMnFeCoNi

Magnetic, specific heat, and structural properties of the equiatomic Cantor alloy system are reported for temperatures between 5 and 300 K, and up to fields of 70 kOe. Here magnetization measurements performed on as-cast, annealed, and cold-worked samples reveal a strong processing history dependence and that high-temperature annealing after cold working does not restore the alloy to a “pristine” state. Measurements on known precipitates show that the two transitions, detected at 43 and 85 K, are intrinsic to the Cantor alloy and not the result of an impurity phase. Experimental and ab initio density functional theory computational results suggest that these transitions are a weak ferrimagnetic transition and a spin-glass-like transition, respectively, and magnetic and specific heat measurements provide evidence of significant Stoner enhancement and electron-electron interactions within the material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct determination of the zero-field splitting for the Fe 3+ ion in a synthetic polymorph of NaMgFe(C 2 O 4 ) 3 ·9H 2 O: A natural metal-organic framework

Here we employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C 2 O 4 ) 3 ∙9H 2 O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of S = 5/2 ground state multiplets of Fe 3+ ion. Further analysis of the INS results shows that the Fe 3+ ion has an easy-axis anisotropy with axial ZFS parameter D = –0.0128(5) meV and rhombic parameter E = 0.0014(5) meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Disorder-induced spin excitation continuum and spin-glass ground state in the inverse spinel CuGa 2 O 4

Spinel-structured compounds serve as prototypical examples of highly frustrated systems and are promising candidates for realizing the long-sought quantum spin liquid (QSL) state. However, structural disorder is inevitable in many real QSL candidates and its impact remains a topic of intense debate. In this work, we conduct comprehensive investigations on CuGa 2 ⁢ O 4 , a spinel compound with significant structural disorder, focusing on its thermodynamic properties and spectroscopic behaviors. No long-range magnetic order is observed down to ∼80 mK, as evidenced by magnetic susceptibility, specific-heat, and elastic neutron scattering measurements. More intriguingly, inelastic neutron scattering experiments reveal a broad gapless continuum of magnetic excitations around the Brillouin zone boundary, resembling the magnetic excitation spectra expected for a QSL. Nevertheless, a spin-freezing transition at 𝑇 f ≈ 0.88 K is identified from the cusp in the dc susceptibility curves, where a bifurcation between zero-field-cooling and field-cooling curves occurs. Furthermore, ac susceptibility measurements show a peak close to 𝑇 f at low frequency, which shifts to higher temperature with increasing frequency. These results show that CuGa 2 ⁢ O 4 has a spin-glass ground state, consistent with the establishment of short-range order inferred from the specific-heat measurements. Collectively, these results illustrate the crucial role of disorder in defining the excitation spectrum out of the disordered ground state. Furthermore, our findings shed light onto the broader class of 𝐴⁢𝐵 2 ⁢O 4 spinels and advance our understanding of the spin dynamics in magnetically disordered systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗