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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Do Cover Crops and Corn Residue Removal Affect Soil Thermal Properties?

Soil thermal properties govern the transport and storage of heat in the soil. How management practices such as crop residue removal and cover crop (CC) use affect these soil properties is not well understood. For example, CCs could provide physical cover and improve soil properties after main crop residue removal and thus ameliorate the negative effects of residue removal on soil thermal properties. We measured changes in soil thermal properties including soil thermal conductivity, thermal diffusivity, volumetric heat capacity, and related properties under corn (Zea mays L.) residue removal with and without winter cereal rye (Secale cereale L.) under a 6-yr irrigated no-till continuous corn experiment on a silt loam in south central Nebraska. Cover crops did not affect thermal properties, but corn residue removal reduced field thermal conductivity by 12 to 41% and volumetric heat capacity by 6 to 49% during the growing season for the 0- to 5-cm depth. Residue removal also reduced laboratory thermal conductivity by 19% at –0.03-MPa and by 28% at –1.5-MPa matric potential. Residue removal also reduced volumetric heat capacity in the laboratory by 23% at both matric potentials in the 0- to 10-cm depth. Neither residue removal nor CC affected thermal diffusivity. Thermal conductivity was more strongly correlated with soil water content than with bulk density and soil organic C. Altogether, CC had no effect on thermal properties, but corn residue removal could reduce the soil’s ability to conduct heat relative to no removal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

2014 Accomplishments-Tritium aging studies on stainless steel: Fracture toughness properties of forged stainless steels-Effect of hydrogen, forging strain rate, and forging temperature

Forged stainless steels are used as the materials of construction for tritium reservoirs. During service, tritium diffuses into the reservoir walls and radioactively decays to helium-3. Tritium and decay helium cause a higher propensity for cracking which could lead to a tritium leak or delayed failure of a tritium reservoir. The factors that affect the tendency for crack formation and propagation include: Environment; steel type and microstructure; and, vessel configuration (geometry, pressure, residual stress). Fracture toughness properties are needed for evaluating the long-term effects of tritium on their structural properties. Until now, these effects have been characterized by measuring the effects of tritium on the tensile and fracture toughness properties of specimens fabricated from experimental forgings in the form of forward-extruded cylinders. A key result of those studies is that the long-term cracking resistance of stainless steels in tritium service depends greatly on the interaction between decay helium and the steels’ forged microstructure. New experimental research programs are underway and are designed to measure tritium and decay helium effects on the cracking properties of stainless steels using actual tritium reservoir forgings instead of the experimental forgings of past programs. The properties measured should be more representative of actual reservoir properties because the microstructure of the specimens tested will be more like that of the tritium reservoirs. The programs are designed to measure the effects of key forging variables on tritium compatibility and include three stainless steels, multiple yield strengths, and four different forging processes. The effects on fracture toughness of hydrogen and crack orientation were measured for type 316L forgings. In addition, hydrogen effects on toughness were measured for Type 304L block forgings having two different yield strengths. Finally, fracture toughness properties of type 304L stainless steel were measured for four different forging strain rates which and two forging temperatures. Tritium exposures have been and are being conducted on companion specimens for property measurements in the upcoming years.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Local Electronic And Dielectric Properties at Nanosized Interfaces (Final Report)

The behavior of grain boundaries and interfaces has been a focus of fundamental research for decades because variations of structure and composition at interfaces dictate mechanical, electrical, optical and dielectric properties in solids. Similarly, the consequence of atomic and electronic structures of surfaces to chemical and physical interactions are critical due to their implications to catalysis and device fabrication. Increasing fundamental understanding of surfaces and interfaces has materially advanced technologies that directly bear on energy considerations. Currently, exciting developments in materials processing are enabling creative new electrical, optical and chemical device configurations. Controlled synthesis of nanoparticles, semiconducting nanowires and nanorods, optical quantum dots, etc. along with a range of strategies for assembling and patterning nanostructures portend the viability of new devices that have the potential to significantly impact the energy landscape. As devices become smaller the impact of interfaces and surfaces grows geometrically. As with other nanoscale phenomena, small interfaces do not exhibit the same properties as do large interfaces. The size dependence of interface properties had not been explored and understanding at the most fundamental level is necessary to the advancement of nanostructured devices. An equally important factor in the behavior of interfaces in devices is the ability to examine the interfaces under realistic conditions. For example, interfaces and boundaries dictate the behavior of oxide fuel cells which operate at extremely high temperatures in dynamic high pressure chemical environments. These conditions preclude the characterization of local properties during fuel cell operation. The objective of this research was to determine the size and interface atomic structure dependence of the electronic properties of metal/oxide interfaces using model materials systems of noble metals on SrTiO 3 surfaces; and to develop experimental techniques to probe spatially localized properties under extreme conditions. The outcomes of this research summarized in more detail below include; Discovery of the presence of multiple size dependent transport mechanisms at nanoscale interfaces and determination of the critical size parameter associated with a transition from one to another; Determination of the effect of interface atomic structure and electronic structure at nanoscale interfaces on electronic transport across the interfaces, in particular the role of states associated with under coordinated cations enabling resonant tunneling and/or band bending; Discovery and characterization of size dependent resistive switching at nanoscale interfaces; These advances required the development of a process to produce nanosized contacts with controlled interface orientation over sizes (diameters) ranging from 20-500nm and the determination of the mechanical and electrical parameters for robust and accurate measurement of frequency dependent properties of nanoscale interfaces; Invention of a chamber that enables in situ scanning probe microscopy and spectroscopy at high temperature and reactive gas environments; and First measurement of interface properties in an operating solid oxide fuel cell, quantifying the local electrical potentials and energies associated with two reaction mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Characterizing Organic Aerosol Processes and Climatically Relevant Properties via Advanced and Integrated Analyses of Aerosol Mass Spectrometry Datasets from DOE Campaigns and ACRF Measurements. Final report for DE-SC0007178

Organic aerosols (OA) are an important but poorly characterized component of the earth’s climate system. Enormous complexities commonly associated with OA composition and life cycle processes have significantly complicated the simulation and quantification of aerosol effects. To unravel these complexities and improve understanding of the properties, sources, formation, evolution processes, and radiative properties of atmospheric OA, we propose to perform advanced and integrated analyses of multiple DOE aerosol mass spectrometry datasets, including two high-resolution time-of-flight aerosol mass spectrometer (HR-AMS) datasets from intensive field campaigns on the aerosol life cycle and the Aerosol Chemical Speciation Monitor (ACSM) datasets from long-term routine measurement programs at ACRF sites. In this project, we will focus on 1) characterizing the chemical (i.e., composition, organic elemental ratios), physical (i.e., size distribution and volatility), and radiative (i.e., sub- and super-saturated growth) properties of organic aerosols, 2) examining the correlations of these properties with different source and process regimes (e.g., primary, secondary, urban, biogenic, biomass burning, marine, or mixtures), 3) quantifying the evolutions of these properties as a function of photochemical processing, 4) identifying and characterizing special cases for important processes such as SOA formation and new particle formation and growth, and 5) correlating size-resolved aerosol chemistry with measurements of radiative properties of aerosols to determine the climatically relevant properties of OA and characterize the relationship between these properties and processes of atmospheric aerosol organics. Our primary goal is to improve a process-level understanding of the life cycle of organic aerosols in the Earth’s atmosphere. We will also aim at bridging between observations and models via synthesizing and translating the results and insights generated from this research into data products and formulations that may be directly used to inform, improve, and evaluate regional and global models. In addition, we will continue our current very active collaborations with several modeling groups to enhance the use and interpretation of our data products. Overall, this research will contribute new data to improve quantification of the aerosol’s effects on climate and thus the achievement of ASR’s science goal of – “improving the fidelity and predictive capability of global climate models”.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Property Values Associated with the Failure of Individual Links in a System with Multiple Weak and Strong Links.

Representations are developed and illustrated for the distribution of link property values at the time of link failure in the presence of aleatory uncertainty in link properties. The following topics are considered: (i) defining properties for weak links and strong links, (ii) cumulative distribution functions (CDFs) for link failure time, (iii) integral-based derivation of CDFs for link property at time of link failure, (iv) sampling-based approximation of CDFs for link property at time of link failure, (v) verification of integral-based and sampling-based determinations of CDFs for link property at time of link failure, (vi) distributions of link properties conditional on time of link failure, and (vii) equivalence of two different integral-based derivations of CDFs for link property at time of link failure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Issue Update to LWR SiC/SiC Cladding Handbook of Properties

This report aims to provide properties data of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accident-tolerant fuel cladding for light water reactors (LWRs). The properties data presented are specifically for geometries relevant to fuel cladding tubes, although many properties can be derived or predicted based on data from planar geometry specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and off-normal operation conditions, hermeticity, and irradiation resistance. Table S.1 provides a high level summary of those properties mainly for nuclear-grade SiC/SiC composites fabricated via a chemical vapor infiltration (CVI) route, which has been updated from the previous report (ORNL/TM - 2017/385). The newly added data include statistical tensile properties, hydrothermal corrosion behavior of environmental barrier coating on SiC, and accurate temperature- and dose-dependent swelling of SiC/SiC composites.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Quality Ranking of Unary Fluoride Salt Property Data in MSTDB-TP

Molten salt reactor developers rely on thermal property data to design, license and operate the reactors they are developing. The Molten Salt Thermal Database-Thermophysical Properties (MSTDB-TP) is being developed under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program and managed by Oak Ridge National Laboratory. The MSTDB-TP is intended to serve as a single source of measured thermophysical property values for a wide variety of molten salt systems available to researchers, molten salt reactor developers, and regulators. These properties include melting and boiling points, heat capacity, density, viscosity and thermal diffusivity and conductivity. Published measurements of molten salt properties are lacking for many salts and the data that are available are often inconsistent. This creates a challenge for MSR developers in determining which property values to select when designing their reactors. The MSDTDB-TP collects all available property data and down-selects to preferred data sets or correlations. It is the purpose of this work to apply a recently developed ranking system that indicates the quality of property values listed in the database to inform decisions about how to use the available data. Quality assessments and rankings are being applied to data in MSTDB-TP to provide an indication of the quality of the data available. A previous report detailed the ranking system that was followed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Investigating the impact of optical selection effects on observed rest-frame prompt GRB properties

Measuring gamma-ray burst (GRB) properties in their rest frame is crucial for understanding the physics at work in GRBs. This can only be done for GRBs with known redshifts. Since redshifts are usually measured from the optical spectrum of the afterglow, correlations between prompt and afterglow emissions may introduce biases into the distribution of the rest-frame properties of the prompt emission, especially considering that we measure the redshift of only one-third of Swift GRBs. In this paper, we study the optical flux of GRB afterglows and its connection to various intrinsic properties of GRBs. We also discuss the impact of the optical selection effect on the distribution of rest-frame prompt properties of GRBs. Our analysis is based on a sample of 90 GRBs with good optical follow-up and well-measured prompt emission. Seventy-six of them have a measure of redshift and 14 have no redshift. We compare the rest-frame prompt properties of GRBs with different afterglow optical fluxes in order to check for possible correlations between the promt properties and the optical flux of the afterglow. The optical flux is measured two hours after the trigger, which is a typical time for the measure of the redshift. We find that the optical flux of GRB afterglows in our sample is mainly driven by their optical luminosity and depends only slightly on their redshift. We show that GRBs with low and high afterglow optical fluxes have similar E {sub pi}, E {sub iso}, and L {sub iso}, indicating that the rest-frame distributions computed from GRBs with a redshift are not significantly distorted by optical selection effects. However, we found that the T{sub 90}{sup rest} distribution is not immune to optical selection effects, which favor the selection of GRBs with longer durations. Finally, we note that GRBs well above the E {sub pi}–E {sub iso} relation have lower optical fluxes and we show that optical selection effects favor the detection of GRBs with bright optical afterglows located close to or below the best-fit E {sub pi}–E {sub iso} relation (Amati relation), whose redshift is easily measurable. With more than 300 GRBs with a redshift, we now have a much better view of the intrinsic properties of these remarkable events. At the same time, increasing statistics allow us to understand the biases acting on the measurements. The optical selection effects induced by the redshift measurement strategies cannot be neglected when we study the properties of GRBs in their rest frame, even for studies focused on prompt emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Merger Response of Halo Anisotropy Properties

Anisotropy properties—halo spin, shape, position offset, velocity offset, and orientation—are an important family of dark matter halo properties that indicate the level of directional variation of the internal structures of halos. These properties reflect the dynamical state of halos, which in turn depends on the mass assembly history. In this work, we study the evolution of anisotropy properties in response to merger activity using the IllustrisTNG simulations. We find that the response trajectories of the anisotropy properties significantly deviate from secular evolution. These trajectories have the same qualitative features and timescales across a wide range of merger and host properties. We propose explanations for the behavior of these properties and connect their evolution to the relevant stages of merger dynamics. We measure the relevant dynamical timescales. We also explore the dependence of the strength of the response on time of merger, merger ratio, and mass of the main halo. These results provide insight into the physics of halo mergers and their effects on the statistical behavior of halo properties. This study paves the way toward a physical understanding of scaling relations, particularly to how systematics in their scatter are connected to the mass assembly histories of halos.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Predicting Asteroid Material Properties from a DART-like Kinetic Impact

Abstract NASA’s Double Asteroid Redirection Test (DART) mission is the first full-scale test of the kinetic impactor method for asteroid deflection, in which a spacecraft intentionally impacts an asteroid to change its trajectory. DART represents an important first step for planetary defense technology demonstration, providing a realistic assessment of the effectiveness of the kinetic impact approach on a near-Earth asteroid. The momentum imparted to the asteroid is transferred from the impacting spacecraft and enhanced by the momentum of material ejected from the impact site. However, the magnitude of the ejecta contribution is dependent on the material properties of the target. These properties, such as strength and shear modulus, are unknown for the DART target asteroid, Dimorphos, as well as most asteroids since such properties are difficult to characterize remotely. This study examines how hydrocode simulations can be used to estimate material properties from information available post-impact, specifically the asteroid size and shape, the velocity and properties of the impacting spacecraft, and the final velocity change imparted to the asteroid. Across >300 three-dimensional simulations varying seven material parameters describing the asteroid, we found many combinations of properties could reproduce a particular asteroid velocity. Additional observations, such as asteroid mass or crater size, are required to further constrain properties like asteroid strength or outcomes like the momentum enhancement provided by impact ejecta. Our results demonstrate the vital importance of having as much knowledge as possible prior to an impact mission, with key material parameters being the asteroid’s mass, porosity, strength, and elastic properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Application of Nano-Indentation Test in Estimating Constituent Phase Properties for Microstructure-Based Modeling of Multiphase Steels

For multiphase advanced high strength steels (AHSS), the constituent phase properties play a crucial role in determining the overall mechanical behaviors. Therefore, it is important to accurately measure/estimate the constituent phase properties in the research of AHSS. In this study, a new nanoindentation-based inverse method that we developed was adopted in estimating the phase properties of a low alloy Quenching and Partitioning (Q&P) steel. A microstructure-based Finite Element (FE) model was also generated based on the Electron BackScatter Diffraction (EBSD) and Scanning Electron Microscopy (SEM) images of the Q&P steel. The phase properties estimated from nanoindentation were first compared with those estimated from in-situ High Energy X-Ray Diffraction (HEXRD) test and, then, employed in the generated FE model to examine whether they can be appropriately used as the input properties for the model. The results show that the estimated phase properties from the inverse method are similar to those from HEXRD, and that the Ultimate Tensile Strength (UTS) and Uniform Elongation (UE) predicted from the FE model based on the estimated phase properties are also similar to those of tensile experiment of the Q&P steel. Based on the results in this study, the nanoindentation-based inverse method appears to be a viable way in determining the phase properties of complex multiphase steels with submicrometer grain sizes.

Cheng, Guang↗
DOE OSTI2024

Global Geo-processed Data of Aquifer Properties by 0.5° Grid, Country and Water Basins

This repository of global hydrogeologic datasets contains aquifer properties on 0.5° scale, including depth to groundwater (Fan et al., 2013), aquifer thickness (de Graaf et al., 2015), WHYMap aquifer classes (Richts et al., 2011), recharge (Döll and Fiedler, 2008; Gleeson et al., 2016), lakes (Messager et al., 2016), porosity and permeability (Gleeson et al., 2014), digitized and geo-processed from their respective sources. Globally gridded aquifer properties could be used independently to estimate global groundwater availability or used as critical inputs to the superwell model to simulate groundwater extraction and provide estimates of pumped volumes and unit costs under user-specific scenarios. Key resources related to this data are: Niazi, H., Ferencz, S. B., Graham, N. T., Yoon, J., Wild, T. B., Hejazi, M., Watson, D. J., & Vernon, C. R. (2025). Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1. Geoscientific Model Development, 18(5), 1737-1767. https://doi.org/10.5194/gmd-18-1737-2025 superwell model repository which uses this data to simulate groundwater extraction and provides estimates of the global extractable volumes and unit-costs ($/km3) of accessible groundwater production under user-specified extraction scenarios. Repository Overview Main output: aquifer_properties_rec.csv contains all processed outputs, including aquifer properties like porosity, permeability, recharge, lake areas, aquifer thickness, and depth to groundwater. shapefiles.zip: contains all digitized GIS databases and shapefile for all aquifer properties prep_inputs.R and prep_inputs_recharge_lakes.R: R scripts that process the shapefiles to produce the aquifer_properties_rec.csv file plot_inputs.R: R script for plotting the maps and conducting preliminary analysis on the available groundwater volume basin_to_country_mapping.csv, basin_country_region_mapping.csv and continent_county_mapping.csv provide the mapping between continents, 32 energy-economic macro regions, countries, and water basins for post-processing aquifer_properties_rec.csv Maps: Each map visualizes the spatial distribution of one of the aquifer properties across the globe map_in_Porosity.png map_in_Permeability.png map_in_Aquifer_thickness.png map_in_Depth_to_water.png map_in_Recharge.png map_in_Grid_area_km.png map_in_Lake_area_km.png map_in_WHYClass.png Sample inputs sample_inputs.py: this script samples inputs from the aquifer_properties_rec dataset, ensuring the sampled and original inputs maintain the same distributions sampled_data_100.csv contains 100 sampled data points and sampled_data_100.png compares their distributions Dataset Overview The main outputs are consolidated in a comprehensive aquifer_properties_rec.csv file and include the following fields: GridCellID: Unique identifier for each (roughly 0.5°) grid cell Continent: Continent name Country: Country name GCAM_basin_ID: Identifier for GCAM hydrologic basin Basin_long_name: Full name of the basin WHYClass: Hydrogeologic classification based on WHYMap aquifer classes (Richts et al., 2011) Porosity: Soil porosity (%) (Gleeson et al., 2014) Permeability: Soil permeability (in square meters; Gleeson et al., 2014) Aquifer_thickness: Thickness of the aquifer (in meters; de Graaf et al., 2015) Depth_to_water: Depth to groundwater (in meters; Fan et al., 2013) Recharge: long-term annual averaged recharge rates (in m/yr; Döll and Fiedler, 2008; Gleeson et al., 2016) Grid_area: Area of the grid cell (in square meters) Lakes_area: Area of inland lakes (in square meters; Messager et al., 2016) Key References The datasets are digitized versions of global hydrogeologic properties from the following key literature sources: Depth to Groundwater: Fan, Y., Li, H., & Miguez-Macho, G. (2013). Global Patterns of Groundwater Table Depth. Science, 339(6122), 940-943. https://doi.org/10.1126/science.1229881 Aquifer Thickness: de Graaf, I. E. M., Sutanudjaja, E. H., van Beek, L. P. H., & Bierkens, M. F. P. (2015). A high-resolution global-scale groundwater model. Hydrol. Earth Syst. Sci., 19(2), 823-837. https://doi.org/10.5194/hess-19-823-2015 Porosity and Permeability: Gleeson, T., Moosdorf, N., Hartmann, J., & van Beek, L. P. H. (2014). A glimpse beneath earth's surface: GLobal HYdrogeology MaPS (GLHYMPS) of permeability and porosity. Geophysical Research Letters, 41(11), 3891-3898. https://doi.org/10.1002/2014GL059856 Aquifer classes: Richts, A., Struckmeier, W. F., & Zaepke, M. (2011). WHYMAP and the Groundwater Resources Map of the World 1:25,000,000. In J. A. A. Jones (Ed.), Sustaining Groundwater Resources: A Critical Element in the Global Water Crisis (pp. 159-173). Springer Netherlands. https://doi.org/10.1007/978-90-481-3426-7_10 Recharge: Döll, P., & Fiedler, K. (2008). Global-scale modeling of groundwater recharge. Hydrol. Earth Syst. Sci., 12(3), 863-885. https://doi.org/10.5194/hess-12-863-2008; Gleeson, T., Befus, K. M., Jasechko, S., Luijendijk, E., & Cardenas, M. B. (2016). The global volume and distribution of modern groundwater. Nature Geoscience, 9(2), 161-167. https://doi.org/10.1038/ngeo2590 Inland Lakes: Messager, M. L., Lehner, B., Grill, G., Nedeva, I., & Schmitt, O. (2016). Estimating the volume and age of water stored in global lakes using a geo-statistical approach. Nature Communications, 7(1), 13603. https://doi.org/10.1038/ncomms13603 Cite as Niazi, H., Watson, D., Hejazi, M., Yonkofski, C., Ferencz, S., Vernon, C., Graham, N., Wild, T., & Yoon, J. (2024). Global Geo-processed Data of Aquifer Properties by 0.5° Grid, Country and Water Basins. MultiSector Dynamics-Living, Intuitive, Value-adding, Environment. https://doi.org/10.57931/2484226 Contact Reach out to Hassan Niazi or open an issue in the superwell repository for questions or suggestions.

aquifer thickness↗
NASA NTRS1984

Fuel system design concepts for broad property fuels

The results of a study assessing the impact of using jet fuel with relaxed specification properties on an aircraft fuel system are given. The study objectives were to identify credible values for specific fuel properties which might be relaxed, to evolve advanced fuel system designs for airframe and engines which would permit use of the specified relaxed properties fuels, and to evaluate performance of the candidate advanced fuel systems and the relaxed property fuels in a typical transport aircraft. The study used, as a baseline, the fuel system incorporated in the Lockheed Tristar. This aircraft is powered by three RB.211-524 Rolls-Royce engines and incorporates a Pratt and Whitney ST6C-421 auxiliary power unit for engine starting and inflight emergency electrical power. The fuel property limits examined are compared with commercial Jet A kerosene and the NASA RFP fuel properties. A screening of these properties established that a higher freezing point and a lower thermal stability would impact fuel system design more significantly than any of the other property changes. Three candidate fuel systems which combine the ability to operate with fuels having both a high freeze point and a low thermal stability are described. All candidates employ bleed air to melt fuel freeze-out prior to starting the APU or an inoperable engine. The effects of incorporating these systems on aircraft weight and engine specific fuel consumption are given.

Versaw, E. F.↗
NASA NTRS1991

Structure-property study of keto-ether polyimides

As part of an on-going effort to develop an understanding of how changes in the chemical structure affect polymer properties, an empirical study was performed on polyimides containing only ether and/or carbonyl connecting groups in the polymer backbone. During the past two decades the structure-property relationships in linear aromatic polyimides have been extensively investigated. More recently, work has been performed to study the effect of isomeric attachment of keto-ether polyimides on properties such as glass transition temperature and solubility. However, little work has been reported on the relation of polyimide structure to mechanical properties. The purpose of this study was to determine the effect of structural changes in the backbone of keto-ether polyimides on their mechanical properties, specifically, unoriented thin film tensile properties. This study was conducted in two stages. The purpose of the initial stage was to examine the physical and mechanical properties of a representative group (four) of polyimide systems to determine the optimum solvent and cure cycle requirements. These optimum conditions were then utilized in the second stage to prepare films of keto-ether polyimides which were evaluated for mechanical and physical properties. All of the polyimides were prepared using isomers of oxydianiline (ODA) and diaminobenzophenone (DABP) in combination with 3,3',4,4'-benzophenonetetracarboxylic dianhydride (BTDA) and 4,4'-oxydiphthalic anhydride (ODPA).

Dezern, James F.↗
NASA NTRS1993

Prediction of nonlinear optical properties of organic materials. General theoretical considerations

The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.

Cardelino, B.↗
NASA NTRS2004

An Interpolation Method for Obtaining Thermodynamic Properties Near Saturated Liquid and Saturated Vapor Lines

The two most common approaches used to formulate thermodynamic properties of pure substances are fundamental (or characteristic) equations of state (Helmholtz and Gibbs functions) and a piecemeal approach that is described in Adebiyi and Russell (1992). This paper neither presents a different method to formulate thermodynamic properties of pure substances nor validates the aforementioned approaches. Rather its purpose is to present a method to generate property tables from existing property packages and a method to facilitate the accurate interpretation of fluid thermodynamic property data from those tables. There are two parts to this paper. The first part of the paper shows how efficient and usable property tables were generated, with the minimum number of data points, using an aerospace industry standard property package. The second part describes an innovative interpolation technique that has been developed to properly obtain thermodynamic properties near the saturated liquid and saturated vapor lines.

Nguyen, Huy H.↗
NASA NTRS2008

Evaluation of Cloud Physical Properties of ECMWF Analysis and Re-Analysis (ERA-40 and ERA Interim) against CERES Tropical Deep Convective Cloud Object Observations

This study presents an approach that converts the vertical profiles of grid-averaged cloud properties from large-scale models to probability density functions (pdfs) of subgrid-cell cloud physical properties measured at satellite footprints. Cloud physical and radiative properties, rather than just cloud and precipitation occurrences, of assimilated cloud systems by the European Center for Medium-range Weather Forecasts (ECMWF) operational analysis (EOA) and ECMWF Re-Analyses (ERA-40 and ERA Interim) are validated against those obtained from Earth Observing System satellite cloud object data for January-August 1998 and March 2000 periods. These properties include ice water path (IWP), cloud-top height and temperature, cloud optical depth and solar and infrared radiative fluxes. Each cloud object, a contiguous region with similar cloud physical properties, is temporally and spatially matched with EOA and ERA-40 data. Results indicate that most pdfs of EOA and ERA-40 cloud physical and radiative properties agree with those of satellite observations of the tropical deep convective cloud-object type for the January-August 1998 period. There are, however, significant discrepancies in selected ranges of the cloud property pdfs such as the upper range of EOA cloud top height. A major discrepancy is that the dependence of the pdfs on the cloud object size for both EOA and ERA-40 is not as strong as in the observations. Modifications to the cloud parameterization in ECMWF that occurred in October 1999 eliminate the clouds near the tropopause but shift power of the pdf to lower cloud-top heights and greatly reduce the ranges of IWP and cloud optical depth pdfs. These features persist in ERA-40 due to the use of the same cloud parameterizations. The downgrade of data assimilation technique and the lack of snow water content information in ERA-40, not the coarser horizontal grid resolution, are also responsible for the disagreements with observed pdfs of cloud physical properties although the detection rates of cloud object occurrence are improved for small size categories. A possible improvement to the convective parameterization is to introduce a stronger dependence of updraft penetration heights with grid-cell dynamics. These conclusions will be rechecked using the ERA Interim data, due to recent changes in the ECMWF convective parameterization (Bechtold et al. 2004, 2008). Results from the ERA Interim will be presented at the meeting.

Xu, Kuan-Man↗
NASA NTRS2011

Extension of Generalized Fluid System Simulation Program's Fluid Property Database

This internship focused on the development of additional capabilities for the General Fluid Systems Simulation Program (GFSSP). GFSSP is a thermo-fluid code used to evaluate system performance by a finite volume-based network analysis method. The program was developed primarily to analyze the complex internal flow of propulsion systems and is capable of solving many problems related to thermodynamics and fluid mechanics. GFSSP is integrated with thermodynamic programs that provide fluid properties for sub-cooled, superheated, and saturation states. For fluids that are not included in the thermodynamic property program, look-up property tables can be provided. The look-up property tables of the current release version can only handle sub-cooled and superheated states. The primary purpose of the internship was to extend the look-up tables to handle saturated states. This involves a) generation of a property table using REFPROP, a thermodynamic property program that is widely used, and b) modifications of the Fortran source code to read in an additional property table containing saturation data for both saturated liquid and saturated vapor states. Also, a method was implemented to calculate the thermodynamic properties of user-fluids within the saturation region, given values of pressure and enthalpy. These additions required new code to be written, and older code had to be adjusted to accommodate the new capabilities. Ultimately, the changes will lead to the incorporation of this new capability in future versions of GFSSP. This paper describes the development and validation of the new capability.

Patel, Kishan↗