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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Temperature Dependence of Low‐Frequency Noise Characteristics of NiO x /β‐Ga 2 O 3 p–n Heterojunction Diodes

Temperature dependence of the low-frequency electronic noise in NiO x /β-Ga 2 O 3 p–n heterojunction diodes is reported. The noise spectral density is of the 1/f-type near room temperature but shows signatures of Lorentzian components at elevated temperatures and at higher current levels (f is the frequency). It is observed that there is an intriguing non-monotonic dependence of the noise on temperature near T = 380 K. The Raman spectroscopy of the device structure suggests material changes, which results in reduced noise above this temperature. The normalized noise spectral density in such diodes is determined to be on the order of 10 −14 cm 2 Hz −1 (f = 10 Hz) at 0.1 A cm −2 current density. In terms of the noise level, NiO x /β-Ga 2 O 3 p–n diodes perform excellently for new technology and occupy an intermediate position among devices of various designs implemented with different ultra-wide-bandgap semiconductors. The obtained results are important for understanding the electronic properties of NiO x /β-Ga 2 O 3 heterojunctions and contribute to the development of noise spectroscopy as the quality assessment tool for new electronic materials and device technologies.

1/f noise↗
DOE OSTI2020

Consideration of temperature-dependent emissivity of selective emitters in thermophotovoltaic systems

Spectral emissivity control is paramount for designing a high-efficiency selective emitter surface required for thermophotovoltaic (TPV) applications. Owing to the temperature dependency of materials optical constants, the spectral properties of a selective emitter surface changes with the emitter temperature. This paper presents the fabrication of a multilayer metal-dielectric ( ${\rm Si}_{3}{\rm N}_{4}/\rm W/Si_{3}{\rm N_{4}}$ ) coated tungsten selective emitter aimed for GaSb-based TPV systems and studies the dependence of its surface spectral emissivity, $\varepsilon (\lambda)$ , upon a temperature ranging from 300 K to 1500 K. Both the simulation and experimental methods were used to characterize $\varepsilon (\lambda)$ as a function of temperature. For wavelengths less than 1.4 µm, $\varepsilon (\lambda)$ was found to have a minimal dependence on temperature. Beyond 1.4 µm, $\varepsilon (\lambda)$ increases with the temperature. At 1.55 µm, the simulation and experimental data estimated a ${\sim}{{4}}\%$ greater emissivity at 1500 K than at room temperature. At 1500 K, the increased $\varepsilon (\lambda)$ at longer wavelengths lowered the spectral conversion efficiency of the selective emitter from 58% to 47%. The output power density, sub-bandgap loss, and TPV conversion efficiency ( ${\eta _{\rm TPV}}$ ) for a GaSb cell illuminated by the selective thermal emitter at 1500 K were estimated. ${\eta _{\rm TPV}}$ drops from 13.7% to 11% due to the increased sub-bandgap emission at 1500 K. Essential approaches for mitigating the sub-bandgap losses to further improve ${\eta _{\rm TPV}}$ are also discussed.

42 ENGINEERING↗
DOE OSTI2024

Anomalous temperature dependence of elastic limit in metallic glasses

Abstract Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs) remains challenging due to their amorphous structure, where local carriers of plasticity cannot be easily defined. Using molecular dynamics (MD) simulations, we analyzed the onset of inelastic deformation in CuZr MGs, specifically the temperature dependence of the elastic limit, in terms of localized shear transformation (ST) events. We find that although the ST events initiate at lower strain with increasing temperature, the elastic limit increases with temperature in certain temperature ranges. We explain this anomalous behavior through the framework of an energy-strain landscape (ESL) constructed from high-throughput strain-dependent energy barrier calculations for the ST events identified in the MD simulations. The ESL reveals that the anomalous behavior is caused by the transition of ST events from irreversible to reversible with increasing temperature. An analytical formulation is developed to predict this transition and the temperature dependence of the elastic limit.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Recent progress on understanding the temperature-dependent irradiation resistance ranking among NiFe, NiCoCr, and NiCoFeCr alloys: A review

Systematic temperature-effects investigations on damage evolution in ion-irradiated Ni-based concentrated solid-solution alloys (CSAs) are pivotal to provide reliance on their use in nuclear applications. Here, in search of the origin behind the temperature-dependent irradiation resistance ranking among equiatomic NiFe, NiCoCr and NiCoFeCr alloys, we have compared, previously experimental and theoretical published data involving ion irradiation experiments performed on these alloys with new ion channeling results from ion-irradiated NiCoFeCr at 500 K. Moreover, the current results are compared with independent theoretical calculations and relevant TEM results from literature, which allow us to suggest that the lower migration energy of vacancies in NiCoCr, as compared with those in NiFe and NiCoFeCr, is the reason behind why NiCoCr is no longer outperforming NiFe under ion irradiation above 300 K.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Temperature-Dependent Constrained Diffusion of Micro-Confined Alkylimidazolium Chloride Ionic Liquids

Alkylimidazolium chloride ionic liquids (ILs) have many uses in a variety of separation systems, including micro-confined separation systems. To understand the separation mechanism in these systems, the diffusion properties of analytes in ILs under relevant operating conditions, including micro-confinement dimension and temperature, should be known. For example, separation efficiencies for various IL-based microextraction techniques are dependent on the sample volume and temperature. Temperature-dependent (20–100 °C) fluorescence recovery after photobleaching (FRAP) was utilized to determine the diffusion properties of a zwitterionic, hydrophilic dye, ATTO 647, in alkylimidazolium chloride ILs in micro-confined geometries. These micro-confined geometries were generated by sandwiching the IL between glass substrates that were separated by ~1 to 100 μm. From the measured temperature-dependent FRAP data, we note alkyl chain length-, thickness-, and temperature-dependent diffusion coefficients, with values ranging from 0.021 to 46 μm 2 /s. Deviations from Brownian diffusion are observed at lower temperatures and increasingly less so at elevated temperatures; the differences are attributed to alterations in intermolecular interactions that reduce temperature-dependent nanoscale structural heterogeneities. Furthermore, the temperature- and thickness-dependent data provide a useful foundation for efficient design of micro-confined IL separation systems.

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

Mean-field model for the Curie-Weiss temperature dependence of coherence length in metallic liquids

The coherence length of the medium-range order (MRO) in metallic liquids is known to display a Curie-Weiss temperature dependence; its inverse is linearly related to temperature, and when extrapolated from temperatures above the glass transition, the coherence length diverges at a negative temperature with a critical exponent of unity. We propose a mean-field pseudospin model that explains this behavior. Specifically, we model the atoms and their local environment as Ising spins with antiferromagnetic exchange interactions. We further superimpose an exchange interaction between dynamical heterogeneities, or clusters of atoms undergoing cooperative motion. The coherence length in the metallic liquid is thus the correlation length between dynamical heterogeneities. Overall, our results reaffirm the idea that the MRO coherence length is a measure of point-to-set correlations, and that local frustrations in the interatomic interactions are prominent in metallic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Study on the Impact of Temperature-Dependent Ferroelectric Switching Behavior in 3D Memory Architecture

The flourishing development of neural networks that require exponentially growing amounts of data has presented an elevated demand for memory footprint. To address this, researchers have been exploring hardware accelerators with innovative memory architectures like 3D memory. These 3D memory architectures offer enhanced storage capacity and processing capabilities, at a cost of rising on-chip temperature during operation. Hafnium Zirconium Oxide (HZO) based Ferroelectric Random Access Memory (FeRAM) is a promising nonvolatile memory candidate in neural network hardware accelerators for its outstanding write performance and reliability. However, its implementation in the architecture regarding the temperature-dependent ferroelectric switching behavior has not been well studied. In this work, we study the thermal impacts on polarization switching through experimental devices and simulation results. We conduct the circuit and architecture-level simulations to showcase that one can exploit this temperature rise to reduce FeRAM's write voltage and write energy due to its unique temperature-activated polarization switching mechanisms. As the on-chip temperature increases to 351K (ambient temperature at 300K) due to neural network workloads, the access energy per bit can be reduced by 27.6% when a dynamic write voltage is applied.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting temperature-dependent ultimate strengths of body-centered-cubic (BCC) high-entropy alloys

This paper presents a bilinear log model, for predicting temperature-dependent ultimate strength of high-entropy alloys (HEAs) based on 21 HEA compositions. We consider the break temperature, T break , introduced in the model, an important parameter for design of materials with attractive high-temperature properties, one warranting inclusion in alloy specifications. For reliable operation, the operating temperature of alloys may need to stay below T break . We introduce a technique of global optimization, one enabling concurrent optimization of model parameters over low-temperature and high-temperature regimes. Furthermore, we suggest a general framework for joint optimization of alloy properties, capable of accounting for physics-based dependencies, and show how a special case can be formulated to address the identification of HEAs offering attractive ultimate strength. We advocate for the selection of an optimization technique suitable for the problem at hand and the data available, and for properly accounting for the underlying sources of variations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A chemical kinetics theory for interpreting the non-monotonic temperature dependence of enzymatic reactions

Abstract. One notable observation of enzymatic chemical reactions is that, for a given abundance of enzymes and substrates, temperature increases cause reaction rates to first increase consistent with the Arrhenius relationship, then plateau, and finally fall off quickly to zero at high temperatures. While many mathematical functions have been used to describe this pattern, we here propose a chemical kinetics theory which successfully replicates this observation and provides insights into the processes responsible for these dynamics. The chemical kinetics theory combines the law of mass action, von Smoluchowski's diffusion-limited chemical reaction theory, and Eyring's transition state theory. This new theory reveals that the thermally reversible enzyme denaturation ensured by the ceaseless thermal motion of molecules and ions in an enzyme solution explains the plateau and subsequent decrease in chemical reaction rates with increasing temperature. The temperature-dependent affinity parameter (K) that relates enzymes and substrates through their binding also affects the shape of the emergent temperature response. We demonstrate that with an increase in substrate availability, K shifts the optimal temperature, where reaction rates plateau, towards higher values. Further, we show that the chemical kinetics theory accurately represents 12 sets of published enzyme assay data and includes the popular mechanistic model by Ratkowsky et al. (2005) as a special case. Given its good performance and solid theoretical underpinning, we believe this new theory will facilitate the construction of more mechanistic-based environmental biogeochemical models.

Tang, Jinyun↗
DOE OSTI2023

Ab Initio Modeling on The Thermodynamic and Temperature-Dependent Elastic Properties of Subsystems of The FCC FeNiCoCr Medium Entropy Alloys (MEAs)

The stability, phonon spectra, thermodynamic, and temperature-dependent elasticity of subsystems of the FCC FeNiCoCr MEAs are systematically studied by the ab initio approach. Especially, the quasi-harmonic approximation (QHA) and the innovative Zentropy theory were utilized to predict the thermodynamic properties and elastic properties of FeNi, NiCo, FeNiCo, and FeNiCoCr MEAs with the consideration of magnetic transition. With the ensemble of the partition function based on the multiplicity of each magnetic configuration, the current work successfully reproduced the Curie temperature and the Schottky anomaly of heat capacity of these four MEAs purely based on the ab initio input. Meanwhile, the elastic properties of these alloys at finite temperatures are also successfully predicted with the consideration of magnetic transition. The overall results agree well with the available experimental data and CALPHAD prediction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Temperature-dependent deformation behavior of a CuZr-based bulk metallic glass composite

In this study, the effect of cryogenic testing temperatures on the deformation behavior of a CuZr-based bulk metallic glass composite (BMGC) has been investigated using in situ high energy X-ray diffraction. The yield strength and work-hardenability of the studied BMGC show an increasing trend from 298 K to 153 K. A higher yield strength at a lower temperature can be attributed to the larger difference in the volume shrinkage between the crystalline phase and the amorphous matrix. The increasing martensitic transformation degree of the crystalline phase from 298 K to 153 K results in the enhanced work-hardenability. These results lead to a better understanding of the temperature dependence of phase-transformation induced plasticity in CuZr-based BMGCs. (C) 2020 Elsevier B.V. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Field, frequency, and temperature dependencies of the surface resistance of nitrogen diffused niobium superconducting radio frequency cavities

We investigate the rf performance of several single-cell superconducting radio-frequency cavities subjected to low temperature heat treatment in nitrogen environment. The cavities were treated at temperature 120 – 165 ° C for an extended period of time (24–48 h) either in high vacuum or in a low partial pressure of ultrapure nitrogen. The improvement in Q 0 with a Q rise was observed when nitrogen gas was injected at ∼ 300 ° C during the cavity cooldown from 800 ° C and held at 165 ° C , without any degradation in accelerating gradient over the baseline performance. The treatment was applied to several elliptical cavities with frequency ranging from 0.75 to 3.0 GHz, showing an improved quality factor as a result of low temperature nitrogen treatments. The Q rise feature is similar to that achieved by nitrogen alloying Nb cavities at higher temperature, followed by material removal by electropolishing. The surface modification was confirmed by the change in electronic mean free path and tuned with the temperature and duration of heat treatment. The decrease of the temperature-dependent surface resistance with increasing rf field, resulting in a Q rise, becomes stronger with increasing frequency and decreasing temperature. The data suggest a crossover frequency of ∼ 0.95 GHz above that the Q rise phenomenon occurs at 2 K. Some of these results can be explained qualitatively with an existing model of intrinsic field-dependence of the surface resistance with both equilibrium and nonequilibrium quasiparticle distribution functions. The change in the Q slope below 0.95 GHz may result from masking contribution of trapped magnetic flux to the residual surface resistance. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Grain-boundary fracture mechanisms in Li 7 La 3 Zr 2 O 12 (LLZO) solid electrolytes: When phase transformation acts as a temperature-dependent toughening mechanism

Garnet-type, solid electrolytes, such as Li 7 La 3 Zr 2 O 12 (LLZO), are a promising alternative to liquid electrolytes for lithium-metal batteries. However, such solid-electrolyte materials frequently exhibit undesirable lithium (Li) metal plating and fracture along grain boundaries. In this work, we employ atomistic simulations to investigate the mechanisms and key fracture properties associated with intergranular fracture along one such boundary. Our results show that, in the case of a Σ5 (310) grain boundary, this boundary exhibits brittle fracture behavior, i.e. the absence of dislocation activity ahead of the propagating crack tip, accompanied with a decrease in work of separation, peak stress, and maximum stress intensity factor as the temperature increases from 300 K to 1500 K. As the crack propagates, we predict two temperature-dependent Li clustering regimes. For temperatures at or below 900 K, Li tends to cluster in the bulk region away from the crack plane driven by a void-coalescence mechanism concomitant a simultaneous cubic-to-tetragonal phase transition. The tetragonalization of LLZO in this temperature regime acts as an emerging toughening mechanism. At higher temperatures, this phase transition mechanism is suppressed leading to a more uniform distribution of Li throughout the grain-boundary system and lower fracture properties as compared to lower temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Temperature dependent index of refraction compensation and radiation resistance in monolithic optical systems

Monolithic catadioptric optical systems are susceptible to defocus errors caused by inhomogeneous temperature within the glass material due to temperature dependent index of refraction. This invention discloses methods to mitigate these errors using tuned materials in its optical design coupled with active optical radiative heating to provide optimal performance and includes methods to enhance radiation resistance.

36 MATERIALS SCIENCE↗