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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Variable-Temperature Scattering and Spectroscopy Characterizations for Temperature-Dependent Solution Assembly of PffBT4T-Based Conjugated Polymers

The solution structure of conjugated polymers (CPs) from which the films are cast is critical for tailoring the thin-film morphology thus device performance. Here, we used multimodal variable-temperature scattering and spectroscopy tools to fully quantify the solution assembly of poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3'''-dialkyl-2,2';5',2'';5'',2'''-quaterthiophen-5,5'''-diyl)] (PffBT4T) polymers with varying side-chain lengths at different assembly temperatures. The conformational and aggregation behaviors for PffBT4T-based CPs were found to be very sensitive to both temperature and side chain length using ultraviolet–visible (UV–vis) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, dynamic light scattering (DLS), and small-angle neutron scattering (SANS). We found that with slightly increasing side chain length from 2-octyldodecyl (C8C12) to 2-nonyltridecyl (C9C13), PffBT4T-based CPs show a significant decrease in aggregation-to-dissolved chain transition temperature (10 °C), degree of aggregation, enthalpy change of aggregation, and size of the aggregates in solution. At room temperature, PffBT4T polymer strongly aggregated to form fabric structure with the film thickness of a few nanometers in thickness and hundreds of nanometers in length, as probed by atomic force microscopy (AFM), transmission electronic microscopy (TEM), and dynamic light scattering (DLS). At the elevated temperature above the aggregation-to-dissolved chain transition temperature, PffBT4T is fully dissolved and adopts a semiflexible coil conformation with the persistence length of 3.1 nm for PffBT4T-C8C12 and a slightly increased persistence length of 3.4 nm for PffBT4T-C9C13, according to temperature-dependent SANS measurements. Longer side chains of PffBT4T-C9C13 also lead to less aggregation enthalpy gain compared with PffBT4T-C8C12. This work provides a solution structure manipulating strategy of CPs and thus will inspire the molecular design and processing protocols of CPs toward higher performance electronic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Temperature dependence of Fe/++/ crystal field spectra - Implications to mineralogical mapping of planetary surfaces

Results are reported of Fe(++) crystal field spectral measurements for olivines and pyroxenes up to 400 C. The results are correlated with crystal structure data at elevated temperatures, and the validity of remote-sensed identifications of minerals on hot surfaces of the moon and Mercury is assessed. Two techniques were used to obtain spectra of minerals at elevated temperatures using a spectrophotometer. One employed a diamond cell assembly or a specially designed sample holder to measure polarized absorption spectra of heated single crystals. For the other technique, a sample holder was designed to attach to a diffuse reflectance accessory to produce reflectance spectra of heated powdered samples. Polarized absorption spectra of forsterite at 20-400 C are shown in a graph. Other graphs show the temperature dependence of Fe(++) crystal field bands in olivines, the diffuse reflectance spectra of olivine at 40-400 C, the polarization absorption spectra of orthopyroxene at 30-400 C, the diffuse reflectance spectra of pigeonite at 40-400 C, and unpolarized absorption spectra of lunar pyroxene from Apollo 15 rock 15058.

Sung, C.-M.↗
NASA NTRS1993

Kinetics and Mechanism of the CIO + CIO Reaction: Pressure and Temperature Dependences of the Bimolecular and Termolecular Channels andThermal Decomposition of Chlorine Peroxide, CIOOCI

The kinetics and mechanism of the CIO + CIO reaction and the thermal decomposition of CIOOCI were studied using the flash photolysis/long path ultraviolet absorption technique. Pressure and temperature dependences were determined for the rate coefficients for the bimolecular and termolecular reaction channels, and for the thermal decompositon of CIOOCI.

Kinetics Thermal Decomposition Biomolecul↗
NASA NTRS2006

Temperature-dependent Refractive Index of Silicon and Germanium

Silicon and germanium are perhaps the two most well-understood semiconductor materials in the context of solid state device technologies and more recently micromachining and nanotechnology. Meanwhile, these two materials are also important in the field of infrared lens design. Optical instruments designed for the wavelength range where these two materials are transmissive achieve best performance when cooled to cryogenic temperatures to enhance signal from the scene over instrument background radiation. In order to enable high quality lens designs using silicon and germanium at cryogenic temperatures, we have measured the absolute refractive index of multiple prisms of these two materials using the Cryogenic, High-Accuracy Refraction Measuring System (CHARMS) at NASA's Goddard Space Flight Center, as a function of both wavelength and temperature. For silicon, we report absolute refractive index and thermo-optic coefficient (dn/dT) at temperatures ranging from 20 to 300 K at wavelengths from 1.1 to 5.6 pin, while for germanium, we cover temperatures ranging from 20 to 300 K and wavelengths from 1.9 to 5.5 microns. We compare our measurements with others in the literature and provide temperature-dependent Sellmeier coefficients based on our data to allow accurate interpolation of index to other wavelengths and temperatures. Citing the wide variety of values for the refractive indices of these two materials found in the literature, we reiterate the importance of measuring the refractive index of a sample from the same batch of raw material from which final optical components are cut when absolute accuracy greater than k5 x 10" is desired.

Frey, Bradley J.↗
NASA NTRS1993

Temperature dependence of rotational relaxation in shock waves of nitrogen

Computations are carried out for one-dimensional shock waves of diatomic nitrogen, using the direct simulation Monte Carlo method. It was found that the reciprocal shock thickness varies with the upstream temperature condition. This variation was also observed in the experimental data and was simulated numerically by using the temperature-dependent expression for the rotational collision number.

Boyd, I. D.↗
NASA NTRS1995

The No Vibrational Fundamental Band: Temperature Dependence of N2-Broadening Coefficients

Rovibrational spectra of the vibrational fundamental of nitric oxide have been recorded under N2-broadening conditions at 0.0056 cm(exp-1) resolution using the Solar McMath FTS at the Kitt Peak National Observatory. The temperature range for the experiments was 296 K to 183 K. The 30 cm absorption cell used for the measurements is cooled with a helium compressor and can operate at temperatures down to 60 K; vibration isolation of the cell allows its use with high performance Fourier Transform Spectrometers. From these spectra, N2-broadened line widths have been determined thru m = 16.5. Qualitative as well as quantitative discrepancies are observed between our experimental determinations of the temperature dependence of the broadening and theoretical calculations.

Spencer, M. N.↗
DOE OSTI2024

Temperature-dependent mechanical properties and crystal plasticity parameters for additively manufactured Haynes-214 alloy: Experiments and numerical modeling

Our experimental mechanical testing data demonstrated that the additively manufactured (AM) laser powder bed fusion (L-PBF) Haynes-214 alloy exhibits non-linear mechanical properties as the temperature rises from ambient to 870 °C. Crystal plasticity (CP) simulations provide an effective approach to gaining deeper insights into microstructure-property linkages under thermomechanical loading. This method can reduce the need for costly high-temperature mechanical testing while accounting for the effects of crystallographic texture and grain morphology on the mechanical behavior of AM materials. However, calibrating a CP model is time-consuming because individual simulations are computationally expensive and hundreds (or more) of iterations over parameter sets may be required. To address this issue, we have designed a machine learning-differential evolution (ML-DE) CP framework that can accurately interpolate the tensile properties of AM L-PBF Haynes-214 alloy across a wide temperature range from ambient to 870 °C, with minimal reliance on experimental data. The framework uses electron backscatter diffraction (EBSD) measurements to generate statistically equivalent microstructural volume elements to serve as inputs to the CP modeling framework. Stress–strain curves were generated from 1000 CP simulations, which serve as the training data set for the three ML regression algorithms explored: linear, extra-trees, and multi-layer perceptron. These three regression models were independently evaluated to compare their efficiency and identify the most suitable algorithm for the given problem. Results revealed that the extra-trees ML regressor outperforms the other models in both qualitative and quantitative aspects with an R 2 of 0.98. Subsequently, the differential evolution optimization approach is employed to calibrate the ML-based CP material parameters with experimental results obtained at various temperatures. Finally, temperature-dependent CP material parameters are formulated. The effectiveness and efficiency of the designed framework are validated through comparison with experimental results, demonstrating a high degree of agreement. These calibrated parametric constitutive equations enable further use of the CP model to study the deformation behavior of this alloy under a wide range of thermo-mechanical loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Size- and temperature-dependent magnetization of iron nanoclusters

In this paper, the magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. Finite-size effects in the total magnetization as well as the influence of the free surface and the surface/core proportion of the nanoclusters are analyzed in detail for a wide temperature range, going beyond the cluster and bulk Curie temperatures. Comparison is made with experimental data and with theoretical models based on the mean-field Ising model adapted to small clusters, and taking into account the influence of low coordinated spins at free surfaces. Our results for the temperature dependence of the average magnetization per atom M (T), including the thermalization of the transnational lattice degrees of freedom, are in very good agreement with available experimental measurements on small Fe nanoclusters. In contrast, significant discrepancies with experiment are observed if the translational degrees of freedom are artificially frozen. The finite-size effects on M (T) are found to be particularly important near the cluster Curie temperature. Simulated magnetization above the Curie temperature scales with cluster size as predicted by models assuming short-range magnetic ordering. Analytical approximations to the magnetization as a function of temperature and size are proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Baseplate Temperature–Dependent Vertical Composition Gradient in Pseudo–Bilayer Films for Printing Non–Fullerene Organic Solar Cells

Numerous previous reports on the sequential deposition (SD) technique have demonstrated that this approach can achieve a p–i–n active layer architecture with an ideal vertical composition gradient, which is one of the critical factors that can influence the physical processes that determine the photovoltaic performance of organic solar cells. Herein, a commonly used photovoltaic system comprised of PM6 as a donor and Y6 as an acceptor is investigated with respect to sequential blade–processing deposition to comprehensively explore the morphology characteristics as a function of baseplate temperature. A systematic study of the temperature–dependent blend morphology elucidates the SD–processed configuration merits and device physics behind temperature–controlled degree of vertical composition gradient, and constructs the temperature–microstructure–property relationship for the corresponding photovoltaic parameters. The result shows, as the temperature increases, the morphology of the active layer has undergone a distinct evolution from the pseudo–bulk heterojunction to a pseudo–planar heterojunction and then to a pseudo–planar bilayer, leading to a non–monotonic correlation between baseplate temperature and device performance. Further, this investigation not only reveals the importance of precisely controlling baseplate temperature for gaining vertical morphology control, but also provides a path toward rational optimization of device performance in the lab–to–fab transition.

14 SOLAR ENERGY↗
NASA NTRS2001

Calibration of Gyros with Temperature Dependent Scale Factors

The general problem of gyro calibration can be stated as the estimation of the scale factors, misalignments, and drift-rate biases of the gyro using the on-orbit sensor measurements. These gyro parameters have been traditionally treated as temperature-independent in the operational flight dynamics ground systems at NASA Goddard Space Flight Center (GSFC), a scenario which has been successfully applied in the gyro calibration of a large number of missions. A significant departure from this is the Microwave Anisotropy Probe (MAP) mission where, due to the high thermal variations expected during the mission phase, it is necessary to model the scale factors as functions of temperature. This paper addresses the issue of gyro calibration for the MAP gyro model using a manufacturer-supplied model of the variation of scale factors with temperature. The problem is formulated as a least squares problem and solved using the Levenberg-Marquardt algorithm in the MATLAB(R) library function NLSQ. The algorithm was tested on simulated data with Gaussian noise for the quaternions as well as the gyro rates and was found to consistently converge close to the true values. Significant improvement in accuracy was noticed due to the estimation of the temperature-dependent scale factors as against constant scale factors.

Belur, Sheela V.↗
DOE OSTI2022

Temperature Dependence of Structural Relaxation in Glass-Forming Liquids and Polymers

Understanding the microscopic mechanism of the transition of glass remains one of the most challenging topics in Condensed Matter Physics. What controls the sharp slowing down of molecular motion upon approaching the glass transition temperature T g , whether there is an underlying thermodynamic transition at some finite temperature below T g , what the role of cooperativity and heterogeneity are, and many other questions continue to be topics of active discussions. This review focuses on the mechanisms that control the steepness of the temperature dependence of structural relaxation (fragility) in glass-forming liquids. We present a brief overview of the basic theoretical models and their experimental tests, analyzing their predictions for fragility and emphasizing the successes and failures of the models. Special attention is focused on the connection of fast dynamics on picosecond time scales to the behavior of structural relaxation on much longer time scales. A separate section discusses the specific case of polymeric glass-forming liquids, which usually have extremely high fragility. We emphasize the apparent difference between the glass transitions in polymers and small molecules. We also discuss the possible role of quantum effects in the glass transition of light molecules and highlight the recent discovery of the unusually low fragility of water. At the end, we formulate the major challenges and questions remaining in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Performance and temperature dependencies of proton irradiated n/p GaAs and n/p silicon cells

The n/p homojunction GaAs cell is found to be more radiation resistant than p/nheteroface GaAs under 10 MeV proton irradiation. Both GaAs cell types outperform conventional silicon n/p cells under the same conditions. An increase temperature dependency of maximum power for the GaAs n/p cells is attributed largely to differences in Voc between the two GaAs cell types. These results and diffusion length considerations are consistent with the conclusion that p-type GaAs is more radiation resistant than n-type and therefore that the n/p configuration is possibly favored for use in the space radiation environment. However, it is concluded that additional work is required in order to choose between the two GaAs cell configurations.

Weinberg, I.↗
NASA NTRS1989

The correlation between the temperature dependence of the CRSS and the formation of superlattice-intrinsic stacking faults in the nickel-base superalloy PWA 1480

The PWA 1480 nickel-base superalloy is known to exhibit a unique minimum in the critical resolved shear stress (CRSS) at about 400 C. This paper reports an observation of a deformation mechanism whose temperature dependence correlates exactly with the reduction in the CRSS. It was found that, after monotonic or cyclic deformation of PWA 1480 at 20 C, the deformation substructures typically contain high density of superlattice-intrinsic stacking faults (S-ISFs) within the gamma-prime precipitates. As the temperature of deformation is increased, the density of S-ISFs is reduced, until finally no faults are observed after deformation in the range from 400 to 705 C. The reduction in the fault density corresponds exactly to the reduction in the CRSS, and the temperature at which the fault density is zero corresponds with the minimum in the CRRS. Two possible mechanisms related to the presence of the S-ISFs in the alloy are considered.

Milligan, Walter W.↗
DOE OSTI2022

Revealing temperature-dependent polymer aggregation in solution with small-angle X-ray scattering

We report that improving the morphology of bulk heterojunction active layers remains a primary challenge for organic photovoltaics (OPVs), and much research has been devoted to achieving this through modifying OPV casting solutions to control film formation and crystallinity. Yet, the solution conformation of conjugated polymers used in OPVs is largely unknown. Here, we report observations of temperature dependent aggregation (TDA) through small-angle X-ray scattering (SAXS) investigations of polymer conformation in chlorobenzene:dichlorobenzene casting solvent as a function of temperature for PffBT4T-2OD, a polymer known to display TDA, and its derivative PffBT3T-2OD which displays significantly reduced TDA. We find that, upon cooling below 80 °C, PffBT4T-2OD forms large crystalline aggregates in solution, while its derivative PffBT3T-2OD forms mostly amorphous aggregates of similar size with some evidence of short-range order. This change in solution aggregation behavior is reflected in the lack of gelation by PffBT3T-2OD upon film deposition by spin coating. Grazing-incidence wide-angle X-ray scattering (GIWAXS) revealed a preferred face-on π–π stacking orientation for PffBT3T-2OD films while PffBT4T-2OD's π–π stacking peak was isotropic. We combine these findings to suggest that the presence of crystalline seed aggregates in PffBT4T-2OD solution quickly form an isotropic crystallite network upon cooling while PffBT3T-2OD's amorphous aggregates more slowly crystallize resulting in improved processability of PffBT3T-2OD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Temperature-Dependent Refractive Index Measurements of L-BBH2 Glass for the Subaru CHARIS Integral Field Spectrograph

Using the Cryogenic High Accuracy Refraction Measuring System (CHARMS) at NASA's Goddard Space Flight Center, we have made the first cryogenic measurements of absolute refractive index for Ohara L-BBH2 glass to enable the design of a prism for the Coronagraphic High Angular Resolution Imaging Spectrograph (CHARIS) at the Subaru telescope. L-BBH2 is employed in CHARIS's prism design for improving the spectrograph's dispersion uniformity. Index measurements were made at temperatures from 110 to 305 K at wavelengths from 0.46 to 3.16 micron. We report absolute refractive index (n), dispersion (dn/d(lambda), and thermo-optic coefficient (dn/dT) for this material along with estimated single measurement uncertainties as a function of wavelength and temperature. We provide temperature-dependent Sellmeier coefficients based on our data to allow accurate interpolation of index to other wavelengths and temperatures within applicable ranges. This paper also speaks of the challenges in measuring index for a material which is not available in sufficient thickness to fabricate a typical prism for measurement in CHARMS, the tailoring of the index prism design that allowed these index measurements to be made, and the remarkable results obtained from that prism for this practical infrared material.

geometrical optics↗
NASA NTRS1985

Performance and temperature dependencies of proton irradiated n/p and p/n GaAs and n/p silicon cells

n/p homojunction GaAs cells are found to be more radiation resistant than p/n heteroface GaAs under 10 MeV proton irradiation. Both GaAs cell types outperform conventional silicon n/p cells under the same conditions. An increased temperature dependency of maximum power for the GaAs n/p cells is attributed to differences in Voc between the two GaAs cell types. These results and diffusion length considerations are consistent with the conclusion that p-type GaAs is more radiation resistant than n-type and therefore that the n/p configuration is possibly favored for use in the space radiation environment. However, it is concluded that additional work is required in order to choose between the two GaAs cell configurations.

Weinberg, I.↗
DOE OSTI2023

Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites

Layered hybrid halide perovskites gain chirality via the incorporation of chiral organic cations in the spacer layer. These so-called chiral two-dimensional (2D) halide perovskites have attracted considerable interest recently for chiral optoelectronic, spintronic, and ferroelectric applications. However, the effect of temperature on these materials, especially how the structure changes with temperature and its impact on the chiral optoelectronic properties, remains an open question. Here, we study the effect of temperature change on chiral optoelectronic and structural properties through temperature-dependent circularly polarized photoluminescence (CPPL) microscopy and synchrotron powder X-ray diffraction as well as pair distribution function analysis to elucidate the intrinsic chiral optoelectronic and structural variations for R-, S-, and racemic-methylbenzylamine lead iodide. Here our results show that the temperature-induced band gap changes indicate a strong electron–phonon coupling compared to the thermal-induced lattice expansion in chiral 2D perovskites. From powder diffraction measurements, a monotonic lattice expansion is observed on heating with no structural phase transitions over 90–360 K detected for the three samples studied herein. Locally, a strongly anisotropic and even negative expansion in some components of the instantaneous Pb–I pair-distance distribution is suggestive of coupling between dynamical intralayer distortions and lattice expansion. This work provides insights into the fundamental understanding of the temperature effect on chiral optoelectronic and structural properties of chiral 2D perovskites, which can lead to new chiral materials design strategies for future chiral optoelectronic applications.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Nonlinear temperature dependent failure analysis of finite width composite laminates

A quasi-three dimensional, nonlinear elastic finite element stress analysis of finite width composite laminates including curing stresses is presented. Cross-ply, angle-ply, and two quasi-isotropic graphite/epoxy laminates are studied. Curing stresses are calculated using temperature dependent elastic properties that are input as percent retention curves, and stresses due to mechanical loading in the form of an axial strain are calculated using tangent modulii obtained by Ramberg-Osgood parameters. It is shown that curing stresses and stresses due to tensile loading are significant as edge effects in all types of laminate studies. The tensor polynomial failure criterion is used to predict the initiation of failure. The mode of failure is predicted by examining individual stress contributions to the tensor polynomial.

Nagarkar, A. P.↗