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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Structural, Optical and Mechanical Properties of Nanocrystalline Molybdenum Thin Films Deposited under Variable Substrate Temperature

Molybdenum (Mo), which is one among the refractory metals, is a promising material with a wide variety of technological applications in microelectronics, optoelectronics, and energy conversion and storage. However, understanding the structure–property correlation and optimization at the nanoscale dimension is quite important to meet the requirements of the emerging nanoelectronics and nanophotonics. In this context, we focused our efforts to derive a comprehensive understanding of the nanoscale structure, phase, and electronic properties of nanocrystalline Mo films with variable microstructure and grain size. Molybdenum films were deposited under varying temperature (25–500 °C), which resulted in Mo films with variable grain size of 9–22 nm. The grazing incidence X-ray diffraction analyses indicate the (110) preferred growth behavior the Mo films, though there is a marked decrease in hardness and elastic modulus values. In particular, there is a sizable difference in maximum and minimum elastic modulus values; the elastic modulus decreased from ~460 to 260–280 GPa with increasing substrate temperature from 25–500 °C. The plasticity index and wear resistance index values show a dramatic change with substrate temperature and grain size. Additionally, the optical properties of the nanocrystalline Mo films evaluated by spectroscopic ellipsometry indicate a marked dependence on the growth temperature and grain size. This dependence on grain size variation was particularly notable for the refractive index where Mo films with lower grain size fell in a range between ~2.75–3.75 across the measured wavelength as opposed to the range of 1.5–2.5 for samples deposited at temperatures of 400–500 °C, where the grain size is relatively higher. The conductive atomic force microscopy (AFM) studies indicate a direct correlation with grain size variation and grain versus grain boundary conduction; the trend noted was improved electrical conductivity of the Mo films in correlation with increasing grain size. The combined ellipsometry and conductive AFM studies allowed us to optimize the structure–property correlation in nanocrystalline Mo films for application in electronics and optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Raman studies of hydrogen trapped in As 4 O 6 ·2H 2 at high pressure and low temperature

In this work, Raman spectroscopic measurements of the arsenolite–hydrogen inclusion compound As 4 O 6 ·2H 2 were performed in diamond anvil cells at high pressure and variable temperature down to 80 K. The experimental results were complemented by ab initio molecular dynamics simulations and phonon calculations. Observation of three hydrogen vibrons in As 4 O 6 ·2H 2 is reported in the entire temperature and pressure range studied (up to 24 GPa). While the experiments performed with protium and deuterium at variable temperatures allowed for the assignment of two vibrons as Q 1 (1) and Q 1 (0) transitions of ortho and para spin isomers of hydrogen trapped in the inclusion compound, the origin of the third vibron could not be unequivocally established. Low-temperature spectra revealed that the lowest-frequency vibron is actually composed of two overlapping bands of A g and T 2g symmetries dominated by H 2 stretching modes as predicted by our previous density functional theory calculations. We observed low-frequency modes of As 4 O 6 ·2H 2 vibrations dominated by H 2 “librations,” which were missed in a previous study. A low-temperature fine structure was observed for the J = 0 → 2 and J = 1 → 3 manifolds of hydrogen trapped in As 4 O 6 ·2H 2 , indicating the lifting of degeneracy due to an anisotropic environment. A non-spherical distribution was captured by molecular dynamics simulations, which revealed that the trajectory of H 2 molecules is skewed along the crystallographic $\langle$111$\rangle$ direction. Last but not least, low-temperature synchrotron powder x-ray diffraction measurements on As 4 O 6 ·2H 2 revealed that the bulk structure of the compound is preserved down to 5 K at 1.6 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Time Series Surface Temperature of Variably Inundated Sediment across 30 North American Rivers

This dataset supports a broader study examining drivers of organic matter chemistry in variably inundated hyporheic zone sediments and further linking that chemistry to biogeochemical rates. The dataset provides surficial temperature time series that can be used to infer the dynamics of inundation prior to the collection of sediments. Those inferred inundation histories can then be used to help interpret variation in the organic matter chemistry. There are related data that will be published, such as FTICR-MS data on organic matter chemistry and sediment moisture. A data package with those data is forthcoming.This dataset is comprised of two folders: (1) ECA1_iButtonData and (2) ECA1_SitePhotos. The ECA1_iButtonData folder contains: (1) file-level metadata, (2) data dictionary, (3) field metadata, (4) installation methods, (5) iButton deployment protocol, (6) readme, and (7) folder of individual time series temperature csv files for each iButton sensor deployed. The ECA1_SitePhotos folder contains site photographs taken in the field. All files are .csv, .txt, .pdf, or .jpg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Direct Observation of Modulated Radical Spin States in Metal–Organic Frameworks by Controlled Flexibility

Owing to their switchable spin states and dynamic electronic character, organic-based radical species have been invoked in phenomena unique to a variety of fields. When incorporated in solid state materials, generation of organic radicals proves challenging due to aggregation. Metal–organic frameworks (MOFs) are promising candidates for immobilization and stabilization of organic radicals because of the tunable spatial arrangement of organic linkers and metal nodes, which sequesters the reactive species. Herein, a flexible, redox-active tetracarboxylic acid linker bearing two imidazole units was chosen to construct a new Zr 6 -MOF, NU-910, with scu topology. By exploiting the structural flexibility of NU-910, we successfully modulate the dynamics between an isolated organic radical species and an organic radical π-dimer species in the MOF system. Single-crystal X-ray diffraction analysis reveals that through solvent exchange from N,N-diethylformamide to acetone, NU-910 undergoes a structural contraction with interlinker distances decreasing from 8.32 Å to 3.20 Å at 100 K. Organic radical species on the bridging linkers are generated via UV light irradiation. Direct observation of temperature-induced spin switches from an isolated radical species to a magnetically silent radical π-dimer in NU-910 after irradiation in the solid state was achieved via variable-temperature single-crystal X-ray diffraction and variable-temperature electron paramagnetic resonance spectroscopy. Ultraviolet–visible–near infrared spectroscopy and density functional theory calculations further substantiated the formation of a radical cation π-dimer upon irradiation. As a result, this work demonstrates the potential of using flexible MOFs as a platform to modulate radical spin states in the solid phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

The Response of a Quartz Crystal Microbalance to a Liquid Deposit

A theory was developed for predicting the loss of response of a QCM (Quartz Crystal Microbalance) to a liquid deposit due to viscous effects in the deposit. The loss of response is expressed by a response factor, equal to the response of the QCM to a liquid film divided by its response to a solid film of the same mass per unit area. The theory assumes a droplet-type deposit morphology, and considers the influence of droplet distribution parameters. Experiments were conducted to examine the validity of the theory, using DC 704 silicone oil as the subject deposit material. Experiments were made in two series: one with constant deposit mass and variable temperature, the other with variable deposit mass and constant temperature. Interpretation of the data using the theory has enabled information on droplet area coverage and number density to be deduced.

Glassford, A. P. M.↗
DOE OSTI2021

The interpretation of temperature and salinity variables in numerical ocean model output and the calculation of heat fluxes and heat content

Abstract. The international Thermodynamic Equation of Seawater 2010 (TEOS-10) defined the enthalpy and entropy of seawater, thus enabling the global ocean heat content to be calculated as the volume integral of the product of in situ density, ρ, and potential enthalpy, h0 (with reference sea pressure of 0 dbar). In terms of Conservative Temperature, Θ, ocean heat content is the volume integral of ρcp0Θ, where cp0 is a constant “isobaric heat capacity”. However, many ocean models in the Coupled Model Intercomparison Project Phase 6 (CMIP6) as well as all models that contributed to earlier phases, such as CMIP5, CMIP3, CMIP2, and CMIP1, used EOS-80 (Equation of State – 1980) rather than the updated TEOS-10, so the question arises of how the salinity and temperature variables in these models should be physically interpreted, with a particular focus on comparison to TEOS-10-compliant observations. In this article we address how heat content, surface heat fluxes, and the meridional heat transport are best calculated using output from these models and how these quantities should be compared with those calculated from corresponding observations. We conclude that even though a model uses the EOS-80, which expects potential temperature as its input temperature, the most appropriate interpretation of the model's temperature variable is actually Conservative Temperature. This perhaps unexpected interpretation is needed to ensure that the air–sea heat flux that leaves and arrives in atmosphere and sea ice models is the same as that which arrives in and leaves the ocean model. We also show that the salinity variable carried by present TEOS-10-based models is Preformed Salinity, while the salinity variable of EOS-80-based models is also proportional to Preformed Salinity. These interpretations of the salinity and temperature variables in ocean models are an update on the comprehensive Griffies et al. (2016) paper that discusses the interpretation of many aspects of coupled Earth system models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Noctilucent cloud formation and the effects of water vapor variability on temperatures in the middle atmosphere

To investigate the occurrence of low temperatures and the formation of noctilucent clouds in the summer mesosphere, a one-dimensional time-dependent photochemical-thermal numerical model of the atmosphere between 50 and 120 km has been constructed. The model self-consistently solves the coupled photochemical and thermal equations as perturbation equations from a reference state assumed to be in equilibrium and is used to consider the effect of variability in water vapor in the lower mesosphere on the temperature in the region of noctilucent cloud formation. It is found that change in water vapor from an equilibrium value of 5 ppm at 50 km to a value of 10 ppm, a variation consistent with observations, can produce a roughly 15 K drop in temperature at 82 km. It is suggested that this process may produce weeks of cold temperatures and influence noctilucent cloud formation.

Mckay, C. P.↗
DOE OSTI2023

Limited Role of Absolute Humidity in Intraurban Heat Variability

Abstract Monitoring and understanding the variability of heat within cities is important for urban planning and public health, and the number of studies measuring intraurban temperature variability is growing. Recognizing that the physiological effects of heat depend on humidity as well as temperature, measurement campaigns have included measurements of relative humidity alongside temperature. However, the role the spatial structure in humidity, independent from temperature, plays in intraurban heat variability is unknown. Here we use summer temperature and humidity from networks of stationary sensors in multiple cities in the United States to show spatial variations in the absolute humidity within these cities are weak. This variability in absolute humidity plays an insignificant role in the spatial variability of the heat index and humidity index (humidex), and the spatial variability of the heat metrics is dominated by temperature variability. Thus, results from previous studies that considered only intraurban variability in temperature will carry over to intraurban heat variability. Also, this suggests increases in humidity from green infrastructure interventions designed to reduce temperature will be minimal. In addition, a network of sensors that only measures temperature is sufficient to quantify the spatial variability of heat across these cities when combined with humidity measured at a single location, allowing for lower-cost heat monitoring networks. Significance Statement Monitoring the variability of heat within cities is important for urban planning and public health. While the physiological effects of heat depend on temperature and humidity, it is shown that there are only weak spatial variations in the absolute humidity within nine U.S. cities, and the spatial variability of heat metrics is dominated by temperature variability. This suggests increases in humidity will be minimal resulting from green infrastructure interventions designed to reduce temperature. It also means a network of sensors that only measure temperature is sufficient to quantify the spatial variability of heat across these cities when combined with humidity measured at a single location.

Meteorology & Atmospheric Sciences↗
DOE OSTI2020

Imaging Supramolecular Morphogenesis with Confocal Laser Scanning Microscopy at Elevated Temperatures

The morphogenesis of supramolecular assemblies is a highly dynamic process that has only recently been recognized, and our understanding of this phenomenon will require imaging techniques capable of crossing scales. Shape transformations depend both on the complex energy landscapes of supramolecular systems and the kinetically controlled pathways that define their structures and functions. We report here the use of confocal laser scanning microscopy coupled with a custom-designed variable-temperature sample stage that enables in situ observation of such shape changes. The submicrometer resolution of this technique allows for real-time observation of the nanostructures in the native liquid environments in which they transform with thermal energy. We use this technique to study the temperature-dependent morphogenic behavior of peptide amphiphile nanofibers and photocatalytic chromophore amphiphile nanoribbons. Furthermore, the variable-temperature confocal microscopy technique demonstrated in this work can sample a large volume and provides real-time information on thermally induced morphological changes in the solution.

36 MATERIALS SCIENCE↗
NASA NTRS2016

On the Susceptibility of Cold Tropical Cirrus to Ice Nuclei Abundance

Numerical simulations of cirrus formation in the tropical tropopause layer (TTL) are used to evaluate the impact heterogeneous ice nuclei (IN) abundance on cold cloud microphysical properties. The model includes homogeneous and heterogeneous ice nucleation, deposition growthsublimation, and sedimentation. Reanalysis temperature and wind fields are used to force the simulations, with addition of high-frequency wave temperature variability based on in situ measurements. The model results are constrained by recent in situ observations of TTL cirrus and relative humidity, as well as satellite measurements of cirrus bulk properties and occurrence frequencies. Temperature variability driven by high-frequency waves has a dominant influence on TTL cirrus microphysical properties and occurrence frequencies, and inclusion of these waves is required to produce agreement between the simulated and observed cloud properties as well as the abundance of TTL cirrus. With a composition-independent supersaturation threshold for homogeneous freezing of aqueous aerosols, the model produces excessive ice concentrations compared with in situ observations. Inclusion of relatively numerous heterogeneous nuclei ( 100L) in the simulations improves the agreement with observed ice concentrations. However, when IN contribute significantly to TTL cirrus ice nucleation, the occurrence frequency of large supersaturations with respect to ice is less than indicated by in situ measurements. The simulated TTL cirrus extinction statistics agree with observations (within uncertainties) from both in situ and remote-sensing measurements. We find that the sensitivity of TTL cirrus extinction and ice water content statistics to heterogeneous ice nuclei abundance is relatively weak. Likewise, the simulated occurrence frequencies of TTL cirrus are insensitive to ice nuclei abundance, both in terms of cloud frequency height distribution and regional distribution throughout the tropics.

occurences↗
DOE OSTI2023

EUI Benchmarks for Net-Zero Energy Buildings in India

In our study we present EUI benchmarks for NZEBs for six building types across residential and non-residential typologies and for India's five climate zones. This approach is similar to the simulation-based benchmarks used by the B3 program in Minnesota, the Cal-Arch methodology in California, and the US Solar Decathlon approach, which combine simulations with actual building data. Of the six building types we explore one in detail with a range of operation scenarios, specifically narrowing down the EUI benchmarks for mixed-mode building operation and for variable temperature set-points as prescribed in the National Building Code of India.The contribution of this work is to provide rigorous end-use level EUI benchmarks for six building types, and to describe a method for simulation-based EUI benchmarks for mixed-mode operation with variable setpoints to highlight the difference between the standard approach used for the five building types and the On-Site Construction Worker Housing which additionally has the mixed-mode variable setpoint approach.On-Site Construction Worker Housings are typically poorly constructed temporary structures, without adequate thermal comfort, It is critical to provide adequate thermal comfort to protect people from the warming effects of climate change, and to discover super efficient and cost-effective ways to do so.The methodology used for the On-Site Construction Worker Housing (CWH) results in an 80% acceptability according to the India Model for Adaptive Comfort in the National Building Code of India. EUIs of all six buildings are 60% lower than the minimum compliance with India's Energy Conservation Building Codes, providing benchmarks for efficiency levels. The end-use level EUI benchmarks are now provided to over 1800 Solar Decathlon India participants so that they can compare the performance of their NZEB designs.In particular, the CWH results provide an insight into the importance of the mixed-mode operation with variable temperature set-points. The results from the simulation study show that for an NZEB target, the EUI with standard thermal comfort model and without mixed operation is 58.26 kWh/m2*year, while that with the variable set-points of the adaptive model with mixed mode operation is 24.23 kWh/m2*year. This is a 58% reduction in EUI. Given that many building types including residential, and non-residential operate in mixed mode, it is important to take this work further to develop mixed-mode operation NZEB benchmarks so that the carbon intensity of these buildings could be lower than the standard thermal comfort model approach.

benchmarking↗
NASA NTRS1986

Experiments and modeling of dilution jet flow fields

Experimental and analytical results of the mixing of single, double, and opposed rows of jets with an isothermal or variable-temperature main stream in a straight duct are presented. This study was performed to investigate flow and geometric variations typical of the complex, three-dimensional flow field in the dilution zone of gas-turbine-engine combustion chambers. The principal results, shown experimentally and analytically, were the following: (1) variations in orifice size and spacing can have a significant effect on the temperature profiles; (2) similar distributions can be obtained, independent of orifice diameter, if momentum-flux ratio and orifice spacing are coupled; (3) a first-order approximation of the mixing of jets with a variable-temperature main stream can be obtained by superimposing the main-stream and jets-in-an-isothermal-crossflow profiles; (4) the penetration of jets issuing mixing is slower and is asymmetric with respect to the jet centerplanes, which shift laterally with increasing downstream distance; (5) double rows of jets give temperature distributions similar to those from a single row of equally spaced, equal-area circular holes; (6) for opposed rows of jets, with the orifice centerlines in line, the optimum ratio of orifice spacing to duct height is one-half the optimum value for single-side injection at the same momentum-flux ratiol and (7) for opposed rows of jets, with the orifice centerlines staggered, the optimum ratio of orifice spacing to duct height is twice the optimum value for single-side injection at the same momentum-flux ratio.

Holdeman, James D.↗
DOE OSTI2024

Determining the Effects of Zero-Field Splitting and Magnetic Exchange in Dimeric Europium(II) Complexes

Related BAP [BAP = bis(acyl)phosphide] and Acac (Acac = β-diketonate) molecules perform as robust supports for both lanthanide and actinide metals. Here, a molecular bimetallic Eu 2+ complex was successfully targeted and isolated by employing sodium bis(mesitoyl)phosphide [Na( mes BAP)] in a salt metathesis with EuI 2 , producing [Eu( mes BAP) 2 (et 2 o)] 2 (et 2 o = metal-coordinated diethyl ether). The corresponding Acac-Eu 2+ complex was targeted using mes Acac– (1,3-dimesityl-1,3-propanedione), generating [Eu( mes Acac) 2 (et 2 o)] 2 . Both complexes were characterized by single-crystal X-ray diffraction, UV–vis, IR, and NMR spectroscopies, and variable-temperature magnetic susceptibility. [Eu( mes BAP) 2 (et 2 o)] 2 was persistent under anaerobic, anhydrous conditions, whereas the analogous [Eu( mes Acac) 2 (et 2 o)] 2 showed evidence of decomposition under identical conditions. Finally, variable-temperature magnetic susceptibility and magnetization studies of [Eu( mes BAP) 2 (et 2 o)] 2 and [Eu( mes Acac) 2 (et 2 o)] 2 were performed, resulting in similar magnetic exchange coupling values of J ex = –0.018 and –0.023 cm –1 and axial zero-field-splitting D values of –0.38 and –0.51 cm –1 , respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Testing of a Loop Heat Pipe Subjective to Variable Accelerations: Temperature Stability - Part 2

The effect of accelerating forces on the performance of loop heat pipes (LHP) is of interest and importance to terrestrial and space applications. LHP's are being considered for cooling of military combat vehicles and for spinning spacecraft. In order to investigate the effect of an accelerating force on LHP operation, a miniature LHP was installed on a spin table. Variable accelerating forces were imposed on the LHP by spinning the table at different angular speeds. Several patterns of accelerating forces were applied, i.e. continuous spin at different speeds and periodic spin at different speeds and frequencies. The resulting accelerations ranged from 1.17 g's to 4.7 g's. This paper presents the second part of the experimental study, i.e. the effect of an accelerating force on the LHP operating temperature. It has been known that in stationary tests the LHP operating temperature is a function of the evaporator power and the condenser sink temperature when the compensation temperature is not actively controlled. Results of this test program indicate that any change in the accelerating force will result in a chance in the LHP operating temperature through its influence on the fluid distribution in the evaporator, condenser and compensation chamber. However, the effect is not universal, rather it is a function of other test conditions. A steady, constant acceleration may result in an increase or decrease of the operating temperature, while a periodic spin will lead to a quasi-steady operating temperature over a sufficient time interval. In addition, an accelerating force may lead to temperature hysteresis and changes in the temperature oscillation. In spite of all these effects, the LHP continued to operate without any problems in all tests.

Ku, Jentung↗
NASA NTRS2016

Multi-Wheat-Model Ensemble Responses to Interannual Climate Variability

We compare 27 wheat models' yield responses to interannual climate variability, analyzed at locations in Argentina, Australia, India, and The Netherlands as part of the Agricultural Model Intercomparison and Improvement Project (AgMIP) Wheat Pilot. Each model simulated 1981e2010 grain yield, and we evaluate results against the interannual variability of growing season temperature, precipitation, and solar radiation. The amount of information used for calibration has only a minor effect on most models' climate response, and even small multi-model ensembles prove beneficial. Wheat model clusters reveal common characteristics of yield response to climate; however models rarely share the same cluster at all four sites indicating substantial independence. Only a weak relationship (R2 0.24) was found between the models' sensitivities to interannual temperature variability and their response to long-termwarming, suggesting that additional processes differentiate climate change impacts from observed climate variability analogs and motivating continuing analysis and model development efforts.

uncertainty↗
DOE OSTI2021

Global patterns of forest autotrophic carbon fluxes

Carbon (C) fixation, allocation, and metabolism by trees set the basis for energy and material flows in forest ecosystems and define their interactions with Earth’s changing climate. However, we lack a cohesive synthesis on how forest carbon fluxes vary globally with respect to climate and one another. Here, we draw upon 1,319 records from the Global Forest Carbon Database (ForC), representing all major forest types and the nine most significant autotrophic carbon fluxes, to comprehensively explore how C cycling in mature, undisturbed forests varies with latitude and climate on a global scale. We show that, across all flux variables analyzed, C cycling decreases continuously with absolute latitude – a finding that confirms multiple previous studies but contradicts the idea that net primary productivity of temperate forests rivals that of tropical forests. C flux variables generally displayed similar trends across latitude and multiple climate variables, with no differences in allocation detected at this global scale. Temperature variables in general, and mean annual temperature and temperature seasonality in particular, were the best univariate predictors of C flux, explaining 19 - 71% of variation in the C fluxes analyzed. The effects of temperature were modified by moisture availability, with C flux reduced under hot and dry conditions and sometimes under very high precipitation. C fluxes increased with growing season length, but this was never the best univariate predictor. Within the growing season, the influence of climate on C cycling was small but significant for a number of flux variables. These findings clarify how forest C flux varies with latitude and climate on a global scale. In a period of accelerating climatic change, this improved understanding of the fundamental climatic controls on forest C cycling sets a foundation for understanding patterns of change.

Banbury Morgan, Rebecca↗
DOE OSTI2021

Sensitivity of Spent Fuel Temperatures to Variable Canister Backfills

This report describes thermal modeling done to understand the effects of a hypothetical loss of backfill to a spent fuel storage canister. A NAC MAGNASTOR system was analyzed using STAR-CCM+ and COBRA-SFS at various heat loads, helium pressures, and air environments. When helium was lost later in life the results showed no safety impact to the thermal performance of the cask system and fuel cladding. However, there were other results of interest from this study. The potential to detect helium leaks using external temperature measurement was considered and found to be a potential area for future technology development. The other major result of interest was the significant change in flow velocities with an air environment. This data will be useful in understanding the potential impacts of a breached canister.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗