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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 19 records

Physics-informed machine-learning model of temperature evolution under solid phase processes

We model temperature dynamics during Shear Assisted Proccess Extrusion (ShAPE), a solid phase process that plasticizes feedstock with a rotating tool and subsequently extrudes it into a consolidated tube, rod, or wire. Control of temperature is critical during ShAPE processing to avoid liquefaction, ensure smooth extrusion, and develop desired material properties in the extruded products. Accurate modeling of the complicated thermo-mechanical feedbacks between process inputs, material temperature, and heat generation presents a significant barrier to predictive modeling and process design. In particular, connecting micro-structural scale mechanisms of heat generation to macro-scale predictions of temperature can become computationally intractable. In this work we use a neural network (NN) model of heat generation to bridge this gap, by combining it with a simplified model of the temperature dynamics due to conduction and convection to capture the macro scale evolution of temperature. We inform the construction of the NN heat generation model using crystal plasticity simulations at the micro-structural scale to model the effects of process inputs on generation of heat. We achieved close fits of the temperature dynamics model to a diverse experimental data-set. Further, the relationships learned by the NN model between process inputs and heat generation showed qualitative agreement with those predicted by crystal plasticity simulations.

36 MATERIALS SCIENCE↗

Correlation between the temperature evolution of the interfacial region and the growing dynamic cooperativity length scale

Here, we study experimentally the temperature evolution of the thickness of the interfacial layer, L int (T), between bulk matrices and the surface of nanoparticles in nanocomposites through broadband dielectric spectroscopy. Analyses revealed a power-law dependence between the logarithm of structural relaxation time in the interfacial layer, τ int (T), and the L int (T): ln τ i n t ( T ) / τ 0 ∝ L i n t β ( T ) / T , with τ 0 ~ 10 –12 s, and β index ~0.67 at high temperatures and ~1.7 at temperatures close to the glass transition temperature. In addition, our analysis revealed that the L int (T) is comparable to the length scale of dynamic heterogeneity estimated from previous nonlinear dielectric measurements and the four-point NMR [ξ NMR (T)], with L int (T) ~ ξ NMR (T). These observations may suggest a direct correlation between the L int (T) and the size of the cooperatively rearranging regions and have strong implications for understanding the dynamic heterogeneity and cooperativity in supercool liquids and their role in interfacial dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Constraining Cosmic Microwave Background Temperature Evolution With Sunyaev–Zel’Dovich Galaxy Clusters from the Atacama Cosmology Telescope

The Sunyaev–Zel’dovich (SZ) effect introduces a specific distortion of the blackbody spectrum of the cosmic microwave background(CMB) radiation when it scatters off hot gas in clusters of galaxies. The frequency dependence of the distortion is only independent of the cluster redshift when the evolution of the CMB radiation is adiabatic. Using 370 clusters within the redshift range 0.07z1.4 from the largest SZ-selected cluster sample to date from the Atacama Cosmology Telescope, we provide new constraints on the deviation of CMB temperature evolution from the standard model a=-+0.0170.0320.029, where()()=+a-TzTz101. This result is consistent with no deviation from the standard adiabatic model. Combining it with previous, independent data sets we obtain a joint constraint ofα=−0.001±0.012. Attributing deviation from adiabaticity to the decay of dark energy, this result constrains its effective equation of state=--+w0.998eff0.0100.008.

Yunyang Li↗

Constraining Cosmic Microwave Background Temperature Evolution With Sunyaev–Zel’Dovich Galaxy Clusters from the Atacama Cosmology Telescope

The Sunyaev–Zel'dovich (SZ) effect introduces a specific distortion of the blackbody spectrum of the cosmic microwave background (CMB) radiation when it scatters off hot gas in clusters of galaxies. The frequency dependence of the distortion is only independent of the cluster redshift when the evolution of the CMB radiation is adiabatic. Here, using 370 clusters within the redshift range 0.07 ≲ z ≲ 1.4 from the largest SZ-selected cluster sample to date from the Atacama Cosmology Telescope, we provide new constraints on the deviation of CMB temperature evolution from the standard model $\alpha ={0.017}_{-0.032}^{+0.029}$, where $T(z)={T}_{0}{\left(1+z\right)}^{1-\alpha }$. This result is consistent with no deviation from the standard adiabatic model. Combining it with previous, independent data sets we obtain a joint constraint of α = –0.001 ± 0.012. Attributing deviation from adiabaticity to the decay of dark energy, this result constrains its effective equation of state ${w}_{\mathrm{eff}}=-{0.998}_{-0.010}^{+0.008}$.

79 ASTRONOMY AND ASTROPHYSICS↗

A Large Eddy Simulation Study of Flow Turbulence, Alumina Transport, and Bath Temperature Evolution in Conventional Aluminum-Smelting Cell Using OpenFOAM

In this study, a Large Eddy Simulation (LES) of the aluminum-smelting process is performed using OpenFOAM. To understand the coupled behavior of heat transfer, mass transfer, and flow of the smelting process, a multi-physics computational fluid dynamics (CFD) model based on the Eulerian–Eulerian multi-fluid approach is adopted. The model accounts for CO 2 bubble and magnetohydrodynamics (MHD)-driven flow, along with alumina dissolution, transport, and bath temperature evolution. The simulation predictions show small-scale turbulent vortical structures in the anode–cathode space caused by combined effect of MHD and CO 2 bubble-bath interactions and relatively large-scale asymmetric vortices in the inter-anode space caused by the CO 2 bubble-bath interactions. The vortex formation at the edges of the anodes evidently aids in transporting alumina from the central channel to the bottom of the anodes and prevents accumulation of gas bubbles in the periphery of the anode bottom. Symmetric bath cold spots are observed in the vicinity of the feeder. Cold spots are also observed in the anode–cathode distance space below the anode bottom due to the transport of undissolved solid to this region by the flow. The findings from the work are useful in developing and designing alumina-feeding strategy leading to reduced anode effects and smooth operation of the cell. The work also highlights the important flow structures in conventional aluminum-smelting cell.

36 MATERIALS SCIENCE↗

Characterization of the pressure coefficient of manganin and temperature evolution of pressure in piston-cylinder cells

Here, we report measurements of the temperature- and pressure-dependent resistance, R ( T , p ), of a manganin manometer in a 4 He-gas pressure setup from room temperature down to the solidification temperature of 4 He ( T solid ~ 50 K at 0.8 GPa) for pressures, p , between 0 GPa and ~0.8 GPa. The same manganin wire manometer was also measured in a piston-cylinder cell (PCC) from 300 K down to 1.8 K and for pressures between 0 GPa and ~2 GPa. From these data, we infer the temperature and pressure dependence of the pressure coefficient of manganin, α ( T , p ), defined by the equation R p = (1 + αp ) R 0 , where R 0 and R p are the resistances of manganin at ambient pressure and finite pressure, respectively. Our results indicate that upon cooling, α first decreases, then goes through a broad minimum at ~120 K, and increases again toward lower temperatures. In addition, we find that α is almost pressure-independent at T ≳ 60 K up to p ~ 2 GPa, but shows a pronounced p dependence at T ≲ 60 K. Using this manganin manometer, we demonstrate that p overall decreases with decreasing temperature in the PCC for the full pressure range and that the size of the pressure difference between room temperature and low temperatures ( T = 1.8 K), Δ p , decreases with increasing pressure. We also compare the pressure values inferred from the manganin manometer with the low-temperature pressure, determined from the superconducting transition temperature of elemental lead (Pb). As a result of these data and analysis, we propose a practical algorithm to infer the evolution of pressure with temperature in a PCC.

47 OTHER INSTRUMENTATION↗

Temperature evolution of the phonon dynamics in the Kitaev spin liquid

In this work, we present a study of the phonon dynamics in the honeycomb Kitaev spin model at finite temperatures. We show that the fractionalized spin excitations of the Kitaev spin liquid, the itinerant Majorana fermions, and static Z 2 fluxes have distinct effects on the phonon dynamics, which makes the phonon dynamics a promising tool for exploring the Kitaev spin liquid candidate materials. In particular, we focus on the signature of the fractionalized excitations in the thermodynamic behavior of the sound attenuation and the phonon Hall viscosity: the former describes the phonon decay into the fractionalized excitations, and the latter is the leading order time-reversal symmetry breaking effect on the acoustic phonon. We find that the angular dependence of the attenuation coefficient and its magnitude is modified by the thermal excitation of the Z 2 fluxes. The strength of this effect strongly depends on the relative magnitude of the sound velocity and the Fermi velocity characterizing the low-energy Majorana fermions. We also show that the Hall viscosity is strongly suppressed by the increase of the density of the Z 2 fluxes at finite temperatures. All these observations reflect the effects of the emergent disorder on the Majorana fermions introduced by the Z 2 fluxes. Our analysis is based on the complementary analytical calculations in the low-temperature zero-flux sector, and numerical calculations in the inhomogeneous flux sectors at intermediate and high temperatures with stratified Monte Carlo (strMC) method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

X-ray imaging and electron temperature evolution in laser-driven magnetic reconnection experiments at the national ignition facility

We present results from x-ray imaging of high-aspect-ratio magnetic reconnection experiments driven at the National Ignition Facility. Two parallel, self-magnetized, elongated laser-driven plumes are produced by tiling 40 laser beams. A magnetic reconnection layer is formed by the collision of the plumes. A gated x-ray framing pinhole camera with micro-channel plate detector produces multiple images through various filters of the formation and evolution of both the plumes and current sheet. As the diagnostic integrates plasma self-emission along the line of sight, two-dimensional electron temperature maps ⟨Te⟩Y are constructed by taking the ratio of intensity of these images obtained with different filters. The plumes have a characteristic temperature ⟨Te⟩Y=240 ± 20 eV at 2 ns after the initial laser irradiation and exhibit a slow cooling up to 4 ns. The reconnection layer forms at 3 ns with a temperature ⟨Te⟩Y=280 ± 50 eV as the result of the collision of the plumes. The error bars of the plumes and current sheet temperatures separate at 4 ns, showing the heating of the current sheet from colder inflows. Using a semi-analytical model, we survey various heating mechanisms in the current sheet. We find that reconnection energy conversion would dominate at low density (ne≲7×1018 cm−3) and electron-ion collisional drag at high-density (≳1019 cm−3).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Temperature Evolution of Excitonic Absorptions in Cd(1-x)Zn(x)Te Materials

The studies consist of measuring the frequency dependent transmittance (T) and reflectance (R) above and below the optical band-gap in the UV/Visible and infrared frequency ranges for Cd(l-x),Zn(x),Te materials for x=0 and x=0.04. Measurements were also done in the temperature range from 5 to 300 K. The results show that the optical gap near 1.49 eV at 300 K increases to 1.62 eV at 5 K. Finally, we observe sharp absorption peaks near this gap energy at low temperatures. The close proximity of these peaks to the optical transition threshold suggests that they originate from the creation of bound electron-hole pairs or excitons. The decay of these excitonic absorptions may contribute to a photoluminescence and transient background response of these back-illuminated HgCdTe CCD detectors.

Quijada, Manuel A.↗

Temperature Evolution in Excitonic Absorptions of Cd(0.96)Zn(0.04) Materials

We report cryogenic optical properties of Cd(0.96)Zn(0.04)Te wafers that are used as substrate seed layers in HgCdTe focal-plane array detectors. These studies are motivated by the fact that the substrate optical properties influence the overall detector performance. The studies consist of measuring the sample frequency dependent transmittance (T) and reflectance (R) above and below the optical band-gap in the UV/Visible and infrared frequency ranges, and with temperature variation of the sample from 5 to 300 K. These measurements show that the optical gap near 1.49 eV at 300 K increases to 1.62 eV at 5 K. Finally, we observe sharp absorption peaks near this gap energy at low temperatures. The close proximity of these peaks to the optical transition threshold suggests that they originate from the creation of bound electron-hole pairs or excitons. The decay of these excitonic absorptions may contribute to a photoluminescence and transient background response of these back-illuminated HgCdTe CCD detectors.

Quijada, Manuel A.↗

Numerical and experimental investigation of the geometry dependent layer-wise evolution of temperature during laser powder bed fusion of Ti–6Al–4V

Abstract Laser powder bed fusion (L-PBF) is currently the additive manufacturing process with the widest industrial use for metal parts. Yet some hurdles persist on the way to a widespread industrial serial production, with reproducibility of the process and the resulting part properties being a major concern. As the geometry changes, so do the local boundary conditions for heat dissipation. Consequently, the use of global, geometry-independent processing parameters, which are today’s state of the art, may result in varying part properties or even defects. This paper presents a numerical simulation as a method to predict the geometry-dependent temperature evolution during the build. For demonstration, an overhang structure with varying angles towards the build platform was manufactured using Ti–6Al–4V. A calibrated infrared camera was integrated into a commercial L-PBF system to measure the temperature evolution over time for a total build height of 10 mm, and the results are used for validation of the simulation. It is shown that the simulation is capable of predicting the temperature between layers. The deviations between simulation and measurement remain in single digit range for smaller overhang structures (90°, 60° and 45°). For large overhang structures (30°), the simulation tends to over-predict the temperatures up to 15 °C. Experiments with varying process parameters showed the feasibility of energy reduction as compensation of the heat accumulation produced by overhang structures.

Li, Gefei (ORCID:0000000174837952)↗

Temperature Evolution of the Activation Barriers Leads to Meyer−Neldel Rules for Structural Relaxation and Transport in Polymers

Understanding activation barriers controlling structural relaxation in glass-forming liquids, molecular transport, and ionic conductivity in amorphous polymers is a grand challenge of fundamental scientific and materials engineering interest across disciplines. Over decades, intriguing but puzzling empirical correlations between the elementary time scale of activated barrier crossing and the apparent Arrhenius activation energy, the so-called Meyer−Neldel (MN) rules, have been discovered in diverse liquids and glasses. Here, in this study, we formulate and successfully apply a new experimental analysis and an explicitly dynamical theoretical framework which provides an understanding of the origin, validity, and failure of such correlations, that bridge and unify the three fields of structural relaxation, molecular transport, and ionic conductivity in liquids and quenched glasses. Distinct quasi-universal laws are predicted in equilibrated liquids and nonequilibrium glasses, consistent with experiments. Our analysis reveals that even if the relaxation appears Arrhenius over a limited temperature range, the physical activation barrier is generally temperature-dependent in polymeric systems even below glass transition temperature. In addition, we show that the approximate validity of classical MN rules hinges on a linear temperature dependence of this barrier and the temperature range probed in experiments. Our findings are relevant for controlling the activation barrier in functional soft polymeric materials relevant to molecular separations, barrier coatings, and charge transport, and also provide new constraints on the theoretical understanding of the mechanism underlying slow activated dynamics in glass-forming condensed matter.

Meyer-Neldel rules↗

Large-scale reactive thermoset printing: Complex interactions between temperature evolution, viscosity, and cure shrinkage

Thermoset composites are strong candidates for large-scale material extrusion additive manufacturing (AM). However, uncured thermoset composites become unstable as print height increases. Here, chemical initiation of vinyl ester immediately before deposition was used to suppress collapse and enable large-scale thermoset printing. Structural stability was assessed by printing thin walls at various layer times and monitoring thermal gradients with an infrared camera. Stable printing was observed at a layer time of 4.50 min, approximately half the gel time of the material (8 min). Self-weight collapse occurred at short layer time (0.68 min), whereas warpage occurred at long layer time (6.50 min). Here, a new behavior was discovered at intermediate layer time (2.25 min) where the heat generated by the reaction causes new, un-gelled layers to flow. Forced convection eliminates this behavior, stabilizing the 2.25-min layer time print. These findings motivated development of a less exothermic material system, which was used to print a large-scale mold and demonstrate the value of this understanding. By presenting these challenges of large-scale reactive thermoset AM for the first time, this work motivates focused studies of the complex interplay between rheological, thermal, and chemical behaviors to improve the feasibility of large-scale thermoset AM. Tensile properties of the printed material were also measured. Longitudinal and transverse elastic moduli are 3.79 and 2.95 GPa, respectively, and corresponding tensile strengths are 36.11 and 18.83 MPa. The glass transition temperature is 93.13 °C.

36 MATERIALS SCIENCE↗