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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Understanding the Role of Order in Y‐Series Non‐Fullerene Solar Cells to Realize High Open‐Circuit Voltages

Abstract Non‐fullerene acceptors (NFAs) as used in state‐of‐the‐art organic solar cells feature highly crystalline layers that go along with low energetic disorder. Here, the crucial role of energetic disorder in blends of the donor polymer PM6 with two Y‐series NFAs, Y6, and N4 is studied. By performing temperature‐dependent charge transport and recombination studies, a consistent picture of the shape of the density of state distributions for free charges in the two blends is developed, allowing an analytical description of the dependence of the open‐circuit voltage V OC on temperature and illumination intensity. Disorder is found to influence the value of the V OC at room temperature, but also its progression with temperature. Here, the PM6:Y6 blend benefits substantially from its narrower state distributions. The analysis also shows that the energy of the equilibrated free charge population is well below the energy of the NFA singlet excitons for both blends and possibly below the energy of the populated charge transfer manifold, indicating a down‐hill driving force for free charge formation. It is concluded that energetic disorder of charge‐separated states has to be considered in the analysis of the photovoltaic properties, even for the more ordered PM6:Y6 blend.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Additively manufactured polymer composites for heat exchanger applications: evaluation of critical thermophysical properties

Polymeric heat exchangers (PHXs) have been used in applications involving weight restrictions, chemical compatibility, and fouling issues. Additive manufacturing (AM) or 3D printing provide new solutions to previously inaccessible combinations of properties and geometries. There are some advancements in the PHXs by AM; however, the process and the properties of materials still need further investigation to improve the overall performance. In this study, additively manufactured polyethylene terephthalate glycol (PETG) composites reinforced with graphite and pitch-based carbon fibers were evaluated for their potential application as PHXs. The thermal conductivity, volumetric heat capacity, coefficient of thermal expansion, creep behavior, and long-term performance were studied in detail. Our results reveal that the composites have an anisotropic thermal conductivity. The thermal conductivity along the printing direction is higher than the layer building direction due to the shear-induced alignment of the fillers. The printed composites achieve good thermal stability with 80% lower CTE at room temperature than neat PETG. Creep tests suggest the creep and creep recovery were highly temperature-dependent, and the deformation can be recovered when the temperature is below glass transition. These results suggest additive manufactured composites be potentially used for heat exchanger applications at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Temperature Inhibition of Plasma-Driven Methane Conversion in DBD Systems

Low-temperature non-thermal plasmas produce highly reactive chemical environments made up of electrons, ions, radicals, and vibrationally excited molecules. These reactive species, when combined with catalysts, can help drive thermodynamically unfavorable chemical reactions at low temperatures and atmospheric pressure. The conversion of methane (CH 4 ) to produce other value-added chemicals is a good model system because of its applicability to a wide range of industries. To effectively create these plasma catalytic systems, a fundamental understanding of the plasma-phase chemistry alone is imperative. While there have been many studies on methane plasmas and how certain operating conditions (i.e., gas composition and power) affect the plasma, there is limited understanding on how changing bulk reaction temperature affects the plasma properties and ensuing plasma chemistry. Here, in this work, we use a dielectric barrier discharge to investigate the effects of temperature on the reaction chemistry and the plasma’s electrical properties in various methane-gas mixtures. Results show that increasing temperature leads to a reduction in methane conversion as well as changes to both the gas and dielectric material pre-breakdown, which manifests itself in temperature-dependent electrical properties of the plasma. Experiments at various temperatures and power show a positive correlation between key electrical plasma properties (average charge and lifetime per filament) and the measured methane conversion as a function of temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Turbulence-induced bias in time-averaged laser absorption tomography of correlated concentration and temperature fields with a first-order correction

The influence of correlated scalar fluctuations on time-averaged laser absorption tomography measurements of temperature and species in a piloted turbulent premixed flame was examined using a coupled spectroscopic and fluid-dynamic analysis. To understand bias associated with turbulence, spatio-temporally resolved temperature and species mole fraction profiles predicted by large eddy simulations (LES) were used to synthetically generate time-resolved line-of-sight absorption measurements at short time scales (microsecond) to reflect the unsteady nature of a canonical jet burner across various transverse measurement planes. Inversion methods were employed on the time-averaged line-of-sight data to produce radially-resolved temperature and mole fraction profiles, analogous to those produced by laser absorption tomography performed on a time-averaged axisymmetric flowfield. It is shown that bias in the measurements compared to true time-averaged scalar fields is a function primarily of temperature dependence in absorptivity and non-zero correlation between temperature and species concentration scalars. Finally, a first-order correction to tomography measurements is proposed to account for the bias based on estimated correlations and the known spectroscopic parameters of the probed absorption transitions.

42 ENGINEERING↗
DOE OSTI2022

Eu 5 Al 3 Sb 6 : Al 4 Tetrahedra Embedded in a Rock-Salt-Like Structure

The new Eu 5 Al 3 Sb 6 phase has been successfully synthesized as a pure phase through Sn flux methods yielding large, high-quality crystals. This structure type features disordered Al clusters that appear in the form of dual tetrahedra. It crystallizes in the monoclinic C2/m space group exhibiting a rock-salt-like Eu–Sb framework with [Al 4 ] tetrahedra replacing some of the cationic Eu atoms (space group: C2/m, a = 8.151(1) Å, b = 14.181(2) Å, c = 8.145(1) Å, β = 109.577(2)°). The structure models the [Al 4 ] as dual tetrahedra with the Al atom sites 37.5% occupied along with Eu present on the central site at 8% occupancy and the remainder of the site being vacant. The presence of the [Al 4 ] cluster is further supported by HRTEM. Electronic structure calculations show that this material is a semimetal with observed band crossings close to the Fermi level. Strong Al–Sb antibonding interactions were found from COHP calculations close to the Fermi level and provide the rationale for the deficiency of the Al cluster. Mössbauer spectroscopy on Eu-151 and Sb-121 provides oxidation states of 2+ and 3– along with the local environment. Magnetic susceptibility measurements can be described well with a Curie–Weiss law where an effective moment of 7.80 μB/mol Eu is obtained, consistent with Eu 2+ , and show canted antiferromagnetic behavior below 10 K. Temperature dependent resistivity shows a Kondo-like low-temperature upturn caused by enhanced scattering of the itinerant electrons with the 4f orbitals of Eu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn 84 } Torus

The single-molecule magnet {Mn 84 } is a challenge to theory because of its high nuclearity. Here, we directly compute two experimentally accessible observables, the field-dependent magnetization up to 75 T and the temperature-dependent heat capacity, using parameter-free theory. In particular, we use first-principles calculations to derive short- and long-range exchange interactions and compute the exact partition function of the resulting classical Potts and Ising spin models for all 84 Mn S = 2 spins to obtain observables. The latter computation is made possible by using hyperoptimized tensor network contractions, a technique developed to simulate quantum supremacy circuits. We also synthesize the magnet and measure its heat capacity and magnetization, observing qualitative agreement between theory and experiment and identifying an unusual bump in the heat capacity and a plateau in the magnetization. Our work also identifies some limitations of current theoretical modeling in large magnets, such as sensitivity to small, long-range exchange couplings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A trapping tolerant drain current based temperature measurement of β -Ga 2 O 3 MOSFETs

The drain current temperature dependence is an efficient way to determine the channel temperature in semiconductor devices; however, it has been challenging to use due to the potential interference of trapping effects. A trapping tolerant method is proposed, illustrated here for Ga 2 O 3 MOSFETs, making in situ temperature measurements possible, allowing a thermal resistance of 59 K∙mm/W to be measured in Ga 2 O 3 MOSFETs. However, neglecting the effect of trapping causes an error of ~15% in the channel temperature measured using the drain current. 3D simulations show that the measured channel temperature is the average temperature value between source and drain contact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Electrical conductivity of multilayered Cu/Nb composites fabricated by accumulative roll bonding

The electrical conductivity of nanolayered copper/niobium composites fabricated using accumulative roll bonding was investigated as a function of layer thickness. Cu/Nb was used as a model system to evaluate the processing-structure–property relationship stemming from the accumulative roll bonding process. The physical properties were compared against samples of individual average layer heights ranging from 193 to 25 nm. The electrical resistivity was measured over a temperature range of ~3–300 K. Analysis on the role of interfaces on temperature dependence is conducted including the residual resistivity ratio and temperature coefficient of resistivity. It was found that electrical resistivity increases with decreasing layer height.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Topological surface conduction in Kondo insulator YbB 12

Kondo insulators have recently aroused great interest because they are promising materials that host a topological insulator state caused by the strong electron interactions. Moreover, recent observations of the quantum oscillations in the insulating state of Kondo insulators have come as a great surprise. Here, we investigate the surface electronic state of a prototype Kondo insulator YbB 12 , we measured the transport properties of single crystals and microstructures. In all samples, the temperature dependence of the electrical resistivity is insulating at high temperatures and the resistivity exhibits a plateau at low temperatures. The magnitude of the plateau value decreases with reducing sample thickness, which is quantitatively consistent with the surface electronic conduction in the bulk insulating YbB 12 . Moreover, the magnetoresistance of the microstructures exhibits a weak-antilocalization effect at low field. These results are consistent with the presence of a topologically protected surface state, suggesting that YbB 12 is a candidate material for a topological Kondo insulator. The high field resistivity measurements up to µ 0 H = 50 T of the microstructures provide supporting evidence that the quantum oscillations of the resistivity in YbB 12 occurs in the insulating bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Spin Seebeck effect in correlated antiferromagnetic V 2 ⁢O 3

The spin Seebeck effect is useful for probing the spin correlations and magnetic order in magnetic insulators. Here, we report a strong local spin Seebeck effect (LSSE) in antiferromagnetic V 2 ⁢O 3 thin films. The LSSE response at cryogenic temperatures increases as a function of the external magnetic field until it approaches saturation. The response at a given power and field exhibits a nonmonotonic temperature dependence, with a pronounced peak that shifts toward higher temperatures as the field increases. Furthermore, the magnitude of the LSSE signal decreases consistently with increasing thickness, implying that the bulk SSE dominates any interfacial contribution. Here, this negative correlation between the SSE and the thickness implies that the magnon energy relaxation length in V 2 ⁢O 3 is shorter than the thickness of our thinnest film, 50 nm, consistent with the strong spin-lattice coupling in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Chiral condensate and the equation of state at nonzero baryon density from the hadron resonance gas model with a repulsive mean field

We study the QCD equation of state and the chiral condensate using the hadron resonance gas model with repulsive mean-field interactions. We find that the repulsive interactions improve the agreement with the lattice results on the derivatives of the pressure with respect to the baryon chemical potential up to eighth order. From the temperature dependence of the chiral condensate we estimate the crossover temperature as a function of baryon chemical potential, T p c ( μ B ) . We find that the chiral crossover line starts to deviate significantly from the chemical freeze-out line already for μ B > 400 MeV . Furthermore, we find that the chiral pseudocritical line can be parametrized as T p c ( μ B ) / T p c ( 0 ) = 1 − κ 2 [ μ B / T p c ( 0 ) ] 2 − κ 4 [ μ B / T p c ( 0 ) ] 4 with κ 2 = 0.0150 ( 2 ) and κ 4 = 3.1 ( 6 ) × 10 − 5 , which are in agreement with lattice QCD results for small values of μ B . For the first time we find a tiny but nonzero value of κ 4 in our study. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Revealing Fano resonance in the Dirac material ZrTe 5 through Raman scattering

Here, we explore the Fano resonance in ZrTe 5 , using terahertz Raman scattering measurements. We identified two closely spaced B 2⁢g phonon modes, B 2⁢g I and B 2⁢g II, around 9 meV and 11 meV, respectively. Interestingly, only B 2⁢g I exhibited the Fano resonance, an outcome of quantum interference between discrete phonon modes and continuous electronic excitations. This is consistent with the much stronger electron-phonon coupling of B 2⁢g I mode demonstrated by first-principles calculations. Additionally, temperature-dependent measurements highlight an enhanced Fano asymmetry at elevated temperatures, contributed by the thermal renormalization of the band structure and electron-phonon coupling. This study offers insights into the complex interrelation of electron-phonon coupling, thermal effects, and Fano resonances in topological materials.

Cheng, Di [Ames Laboratory (AMES), Ames, IA (Unite↗
DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗
DOE OSTI2025

Experimental Results on SS 304H and 2.25Cr-1Mo in Support of Developing Inelastic Constitutive Models

To address critical data gaps necessary for updating viscoplastic constitutive material models for Class A materials used in inelastic design analysis under the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code, Section III, Division 5, High Temperature Reactors, Oak Ridge National Laboratory (ORNL) conducted experimental studies on stainless steel 304H (SS 304H) and 2¼Cr-1Mo steel (F22), to probe their temperature dependent deformation behaviors. These studies covered a range of temperatures up to the maximum limits specified in Division 5 and are intended to support the development of material models by collaborators at Argonne National Laboratory (ANL).

36 MATERIALS SCIENCE↗
NASA NTRS1973

Amorphous magnetism in f.c.c. Vicalloy II

The results of magnetization and Mossbauer experiments are described which give evidence for superparamagnetism in the quenched face-centered-cubic (gamma) phase of the ternary system Fe .34, C .52, V .14 (Vicalloy II). Magnetometer data are given which clearly show that splat-cooled Vicalloy II does not exhibit long-range magnetic order. These data together with the Mossbauer data indicate that short-range magnetic ordering occurs which is temperature-dependent with coalescence of magnetic clusters over a limited temperature range. The model presented reasonably accounts for the observed effects and indicates that this ternary system is superparamagnetic down to 4.2 K.

Cusick, J. P.↗
NASA NTRS1974

Release of volatile mercury from vascular plants

Volatile, organic solvent soluble mercury has been found in leaves and seeds of several angiosperms. Leaves of garlic vine, avocado, and haole-koa release mercury in volatile form rapidly at room temperature. In garlic vine, the most active release is temperature dependent, but does not parallel the vapor-pressure temperature relationship for mercury. Mercury can be trapped in nitric-perchloric acid digestion fluid, or n-hexane, but is lost from the hexane unless the acid mixture is present. Seeds of haole-koa also contain extractable mercury but volatility declines in the series n-hexane (90%), methanol (50%), water (10%). This suggests that reduced volatility may accompany solvolysis in the more polar media.

Siegel, S. M.↗
NASA NTRS1981

The effect of temperature fluctuations of reaction rate constants in turbulent reacting flows

Current models of turbulent reacting flows frequently use Arrhenius reaction rate constants obtained from static or laminar flow theory and/or experiments, or from best fits of static, laminar, and turbulent data. By treating the reaction rate constant as a continuous random variable which is temperature-dependent, the present study assesses the effect of turbulent temperature fluctuations on the reaction rate constant. This model requires that a probability density function (PDF) describing the nature of the fluctuations be specified. Three PDFs are examined: the clipped Gaussian, the beta PDF, and the ramp model. All the models indicate that the reaction rate constant is greater in a turbulent flow field than in an equivalent laminar flow. In addition, an amplification ratio, which is the ratio of the turbulent rate constant to the laminar rate constant, is defined and its behavior as a function of the mean temperature fluctuations is described

Chinitz, W.↗
NASA NTRS1983

Optimal design of gas adsorption refrigerators for cryogenic cooling

The design of gas adsorption refrigerators used for cryogenic cooling in the temperature range of 4K to 120K was examined. The functional relationships among the power requirement for the refrigerator, the system mass, the cycle time and the operating conditions were derived. It was found that the precool temperature, the temperature dependent heat capacities and thermal conductivities, and pressure and temperature variations in the compressors have important impacts on the cooling performance. Optimal designs based on a minimum power criterion were performed for four different gas adsorption refrigerators and a multistage system. It is concluded that the estimates of the power required and the system mass are within manageable limits in various spacecraft environments.

Chan, C. K.↗