SEARCH · Engineering Papers

Results for “Properties”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 361 records · Page 20

All sources NASA NTRS DOE OSTI

NASA NTRS1979

WETAIR: A computer code for calculating thermodynamic and transport properties of air-water mixtures

A computer program subroutine, WETAIR, was developed to calculate the thermodynamic and transport properties of air water mixtures. It determines the thermodynamic state from assigned values of temperature and density, pressure and density, temperature and pressure, pressure and entropy, or pressure and enthalpy. The WETAIR calculates the properties of dry air and water (steam) by interpolating to obtain values from property tables. Then it uses simple mixing laws to calculate the properties of air water mixtures. Properties of mixtures with water contents below 40 percent (by mass) can be calculated at temperatures from 273.2 to 1497 K and pressures to 450 MN/sq m. Dry air properties can be calculated at temperatures as low as 150 K. Water properties can be calculated at temperatures to 1747 K and pressures to 100 MN/sq m. The WETAIR is available in both SFTRAN and FORTRAN.

Fessler, T. E.↗

NASA NTRS1990

Changes in geometrical and biomechanical properties of immature male and female rat tibia

The differences in the geometry and mechanical properties of immature male and female rat tibiae were detailed in order to provide comparative data for spaceflight, exercise, or disease experiments that use immature rats as an animal model. The experiment focuses on the particularly rapid period of growth that occurs in the Sprague-Dawley rat between 40 and 60 d of age. Tibial length and middiaphysical cross-sectional data were analyzed for eight different groups of rats according to age and sex, and tibial mechanical properties were obtained via three-point bending tests to failure. Results indicate that, during the 15 d period of rapid growth, changes in rat tibial geometry are more important than changes in bone material properties for influencing the mechanical properties of the tibia. Male tibiae changed primarily in structural properties, while in the female rats major changes in mechanical properties of the tibia were only attributable to changes in the structural properties of the bone.

Zernicke, Ronald F.↗

NASA NTRS1991

The effects of multiple repairs on Inconel 718 weld mechanical properties

Inconel 718 weldments were repaired 3, 6, 9, and 13 times using the gas tungsten arc welding process. The welded panels were machined into mechanical test specimens, postweld heat treated, and nondestructively tested. Tensile properties and high cycle fatigue life were evaluated and the results compared to unrepaired weld properties. Mechanical property data were analyzed using the statistical methods of difference in means for tensile properties and difference in log means and Weibull analysis for high cycle fatigue properties. Statistical analysis performed on the data did not show a significant decrease in tensile or high cycle fatigue properties due to the repeated repairs. Some degradation was observed in all properties, however, it was minimal.

Russell, C. K.↗

NASA NTRS1993

Establishment of computerized numerical databases on thermophysical and other properties of molten as well as solid materials and data evaluation and validation for generating recommended reliable reference data

The Center for Information and Numerical Data Analysis and Synthesis, (CINDAS), measures and maintains databases on thermophysical, thermoradiative, mechanical, optical, electronic, ablation, and physical properties of materials. Emphasis is on aerospace structural materials especially composites and on infrared detector/sensor materials. Within CINDAS, the Department of Defense sponsors at Purdue several centers: the High Temperature Material Information Analysis Center (HTMIAC), the Ceramics Information Analysis Center (CIAC) and the Metals Information Analysis Center (MIAC). The responsibilities of CINDAS are extremely broad encompassing basic and applied research, measurement of the properties of thin wires and thin foils as well as bulk materials, acquisition and search of world-wide literature, critical evaluation of data, generation of estimated values to fill data voids, investigation of constitutive, structural, processing, environmental, and rapid heating and loading effects, and dissemination of data. Liquids, gases, molten materials and solids are all considered. The responsibility of maintaining widely used databases includes data evaluation, analysis, correlation, and synthesis. Material property data recorded on the literature are often conflicting, diverging, and subject to large uncertainties. It is admittedly difficult to accurately measure materials properties. Systematic and random errors both enter. Some errors result from lack of characterization of the material itself (impurity effects). In some cases assumed boundary conditions corresponding to a theoretical model are not obtained in the experiments. Stray heat flows and losses must be accounted for. Some experimental methods are inappropriate and in other cases appropriate methods are carried out with poor technique. Conflicts in data may be resolved by curve fitting of the data to theoretical or empirical models or correlation in terms of various affecting parameters. Reasons (e.g. phase transitions) must be found for unusual dependence or any anomaly. Such critical evaluation involves knowledge of theory, experience in measurement, familiarity with metallurgy (microstructural behavior) and not inconsiderable judgment. An examination of typical data compiled and analyzed by CINDAS shows that the thermal conductivity of a material reported in the literature may vary by a factor of two of more; the range of reported values increases as temperature increases reflecting the difficulty of high temperature measurements. Often only estimates of melt behavior are available, despite the importance of melt properties in modeling, welding, or other solidification processes. There may be only a few measurements available for properties such as kinematic viscosity, even for widely used materials such as stainless steel. In the face of such a paucity of existing data and in a national environment where too few new data are being generated it is nonetheless the responsibility of CINDAS to select and disseminate recommended values of a wide variety of thermophysical properties.

Ho, C. Y.↗

NASA NTRS1994

Associated with aerospace vehicles development of methodologies for the estimation of thermal properties

Thermal stress analyses are an important aspect in the development of aerospace vehicles at NASA-LaRC. These analyses require knowledge of the temperature distributions within the vehicle structures which consequently necessitates the need for accurate thermal property data. The overall goal of this ongoing research effort is to develop methodologies for the estimation of the thermal property data needed to describe the temperature responses of these complex structures. The research strategy undertaken utilizes a building block approach. The idea here is to first focus on the development of property estimation methodologies for relatively simple conditions, such as isotropic materials at constant temperatures, and then systematically modify the technique for the analysis of more and more complex systems, such as anisotropic multi-component systems. The estimation methodology utilized is a statistically based method which incorporates experimental data and a mathematical model of the system. Several aspects of this overall research effort were investigated during the time of the ASEE summer program. One important aspect involved the calibration of the estimation procedure for the estimation of the thermal properties through the thickness of a standard material. Transient experiments were conducted using a Pyrex standard at various temperatures, and then the thermal properties (thermal conductivity and volumetric heat capacity) were estimated at each temperature. Confidence regions for the estimated values were also determined. These results were then compared to documented values. Another set of experimental tests were conducted on carbon composite samples at different temperatures. Again, the thermal properties were estimated for each temperature, and the results were compared with values obtained using another technique. In both sets of experiments, a 10-15 percent off-set between the estimated values and the previously determined values was found. Another effort was related to the development of the experimental techniques. Initial experiments required a resistance heater placed between two samples. The design was modified such that the heater was placed on the surface of only one sample, as would be necessary in the analysis of built up structures. Experiments using the modified technique were conducted on the composite sample used previously at different temperatures. The results were within 5 percent of those found using two samples. Finally, an initial heat transfer analysis, including conduction, convection and radiation components, was completed on a titanium sandwich structural sample. Experiments utilizing this sample are currently being designed and will be used to first estimate the material's effective thermal conductivity and later to determine the properties associated with each individual heat transfer component.

Scott, Elaine P.↗

NASA NTRS1995

Properties of plasma sprayed bond coats

Increasing bond coat oxidation resistance has been clearly linked to increasing durability of the ceramic layer of TBC's. However, recent studies have shown that significant differences in TBC life can be achieved for different bond coats that have little or no difference in oxidation behavior. These results suggest bond coat properties other than oxidation resistance can also influence TBC life. A determination of which properties affect TBC life and an understanding of how these properties affect TBC life could be valuable in designing new, more durable TBC's. Unfortunately, there is little existing information on the physical and mechanical properties of bond coat materials and there are fewer comparative studies that can be used to determine which properties are important to TBC life. This paper compares the properties of three bond coat compositions that have similar oxidation behavior but different TBC lives. Analysis of the properties indicates that the coefficient of thermal expansion and stress relaxation (creep) behavior of the three alloys are strongly correlated to the observed differences in TBC life.

Brindley, W. J.↗

NASA NTRS1994

A model predicting the evolution of ice particle size spectra and radiative properties of cirrus clouds. Part 2: Dependence of absorption and extinction on ice crystal morphology

This study builds upon the microphysical modeling described in Part 1 by deriving formulations for the extinction and absorption coefficients in terms of the size distribution parameters predicted from the micro-physical model. The optical depth and single scatter albedo of a cirrus cloud can then be determined, which, along with the asymmetry parameter, are the input parameters needed by cloud radiation models. Through the use of anomalous diffraction theory, analytical expressions were developed describing the absorption and extinction coefficients and the single scatter albedo as functions of size distribution parameters, ice crystal shapes (or habits), wavelength, and refractive index. The extinction coefficient was formulated in terms of the projected area of the size distribution, while the absorption coefficient was formulated in terms of both the projected area and mass of the size distribution. These properties were formulated as explicit functions of ice crystal geometry and were not based on an 'effective radius.' Based on simulations of the second cirrus case study described in Part 1, absorption coefficients predicted in the near infrared for hexagonal columns and rosettes were up to 47% and 71% lower, respectively, than absorption coefficients predicted by using equivalent area spheres. This resulted in single scatter albedos in the near-infrared that were considerably greater than those predicted by the equivalent area sphere method. Reflectances in this region should therefore be underestimated using the equivalent area sphere approach. Cloud optical depth was found to depend on ice crystal habit. When the simulated cirrus cloud contained only bullet rosettes, the optical depth was 142% greater than when the cloud contained only hexagonal columns. This increase produced a doubling in cloud albedo. In the near-infrared (IR), the single scatter albedo also exhibited a significant dependence on ice crystal habit. More research is needed on the geometrical properties of ice crystals before the influence of ice crystal shape on cirrus radiative properties can be adequately understood. This study provides a way of coupling the radiative properties of absorption, extinction, and single scatter albedo to the microphysical properties of cirrus clouds. The dependence of extinction and absorption on ice crystal shape was not just due to geometrical differences between crystal types, but was also due to the effect these differences had on the evolution of ice particle size spectra. The ice particle growth model in Part 1 and the radiative properties treated here are based on analytical formulations, and thus represent a computationally efficient means of modeling the microphysical and radiative properties of cirrus clouds.

Mitchell, David L.↗

NASA NTRS1999

Thermophysical Property Measurements of Molten Semiconductors in 1-g and Reduced-g Condition

Understanding and controlling the formation kinetics of varieties of crystal imperfections such as point defects, non uniform distribution of doping atoms, and impurity atoms in growing crystals are very important. Theoretical (numerical) modeling of the crystal growth process is an essential step to achieving these objectives. In order to obtain reliable modeling results, input parameters, i.e. various thermophysical parameters, must be accurate. The importance of accurate thermophysical properties of semiconductors in crystal growth cannot be overly emphasized. The total hemispherical emissivity, for instance, has a dramatic impact on the thermal environment. It determines the radiative emission from the surface of the melt which determines to a large extent the profile of the solidified crystal. In order to understand the convection and the turbulence in a melt, viscosity becomes an important parameter. The liquid surface tension determines the shape of the liquid-atmosphere interface near the solid-liquid-atmosphere triple point. Currently used values for these parameters are rather inaccurate, and this program intends to provide more reliable measurements of these thermophysical properties. Thus, the objective of this program is in the accurate measurements of various thermophysical properties which can be reliably used in the modeling of various crystal growth processes. In this program, thermophysical properties of molten semiconductors, such as Si, Ge, Si-Ge, and InSb will be measured as a function of temperature using the High Temperature Electrostatic Levitator at JPL. Each material will be doped by different kinds of impurities at various doping levels. Thermophysical properties which will be measured include: density, thermal expansion coefficient, surface tension, viscosity, specific heat, hemispherical total emissivity, and perhaps electrical and thermal conductivities. Many molten semiconductors are chemically reactive with crucibles. As a result, these dispersed impurities in the melts tend to substantially modify the properties of pure semiconductors. Sample levitation done in a vacuum clearly helps maintain the sample purity. However, in the 1-g environment, all gravity caused effects such as convection, sedimentation and buoyancy are still present in the sample. In addition, large forces needed to levitate a sample in the presence of the gravity can cause additional flows in the melt. The use of the High Temperature Electrostatic Levitator (HTESL) for the present research is a recent development and little is known about the flows induced by the electrostatic forces. In this ground base program, we will define the limits of HTESL technology as various thermophysical properties of molten semiconductors are measured.

Rhim, Won-Kyu↗

NASA NTRS2001

Structure and Early Soot Oxidation Properties of Laminar Diffusion Flames

Soot is an important unsolved problem of combustion science because it is present in most hydrocarbon-fueled flames and current understanding of the reactive and physical properties of soot in flame environments is limited. This lack of understanding affects progress toward developing reliable predictions of flame radiation properties, reliable predictions of flame pollutant emission properties and reliable methods of computational combustion, among others. Motivated by these observations, the present investigation extended past studies of soot formation in this laboratory, to consider soot oxidation in laminar diffusion flames using similar methods. Early work showed that O2 was responsible for soot oxidation in high temperature O2-rich environments. Subsequent work in high temperature flame environments having small O2 concentrations, however, showed that soot oxidation rates substantially exceeded estimates based on the classical O2 oxidation rates of Nagle and Strickland-Constable and suggests that radicals such as O and OH might be strong contributors to soot oxidation for such conditions. Neoh et al. subsequently made observations in premixed flames, supported by later work, that showed that OH was responsible for soot oxidation at these conditions with a very reasonable collision efficiency of 0.13. Subsequent studies in diffusion flames, however, were not in agreement with the premixed flame studies: they agreed that OH played a dominant role in soot oxidation in flames, but found collision efficiencies that varied with flame conditions and were not in good agreement with each other or with Neoh et al. One explanation for these discrepancies is that optical scattering and extinction properties were used to infer soot structure properties for the studies that have not been very successful for representing the optical properties of soot. Whatever the source of the problem, however, these differences among observations of soot oxidation in premixed and diffusion flames clearly must be resolved. Motivated by these findings, the present study undertook measurements of soot and flame properties within the soot oxidation region of some typical laminar diffusion flames and exploited the new measurements to identify soot oxidation mechanisms for these conditions. Present considerations were limited to the early stages of soot oxidation (carbon consumption less than 70%) where reactions at the surface of primary soot particles dominate the process, rather than the later stages when particle porosity and internal particle oxidation become important as discussed by Neoh et al.

El-Leathy, A. M.↗

NASA NTRS2004

CMC Property Variability and Life Prediction Methods for Turbine Engine Component Application

The ever increasing need for lower density and higher temperature-capable materials for aircraft engines has led to the development of Ceramic Matrix Composites (CMCs). Today's aircraft engines operate with >3000"F gas temperatures at the entrance to the turbine section, but unless heavily cooled, metallic components cannot operate above approx.2000 F. CMCs attempt to push component capability to nearly 2700 F with much less cooling, which can help improve engine efficiency and performance in terms of better fuel efficiency, higher thrust, and reduced emissions. The NASA Glenn Research Center has been researching the benefits of the SiC/SiC CMC for engine applications. A CMC is made up of a matrix material, fibers, and an interphase, which is a protective coating over the fibers. There are several methods or architectures in which the orientation of the fibers can be manipulated to achieve a particular material property objective as well as a particular component geometric shape and size. The required shape manipulation can be a limiting factor in the design and performance of the component if there is a lack of bending capability of the fiber as making the fiber more flexible typically sacrifices strength and other fiber properties. Various analysis codes are available (pcGINA, CEMCAN) that can predict the effective Young's Moduli, thermal conductivities, coefficients of thermal expansion (CTE), and various other properties of a CMC. There are also various analysis codes (NASAlife) that can be used to predict the life of CMCs under expected engine service conditions. The objective of this summer study is to utilize and optimize these codes for examining the tradeoffs between CMC properties and the complex fiber architectures that will be needed for several different component designs. For example, for the pcGINA code, there are six variations of architecture available. Depending on which architecture is analyzed, the user is able to specify the fiber tow size, tow spacing, weave parameter, and angle of orientation of fibers. By holding the volume fraction of the fibers constant, variations in tow spacing can be explored for different architectures. The CMC material properties are usually calculated assuming the component is manufactured perfectly. However, this is typically not the case so that a quantification of the material property variability is needed to account for processing and/or manufacturing imperfections. The overall inputs and outputs are presented using a regression software to rapidly investigate the tradeoffs associated with fiber architecture, material properties, and ultimately cost. This information is then propagated through lifing models and Larson-Miller data to assess timehemperature-dependent CMC strength. In addition, a first order cost estimation will be quantified from a current qualitative perspective. This cost estimation includes the manufacturing challenges, such as tooling, as well as the component cost for a particular application. Ultimately, a cost to performance ratio should be established that compares the effectiveness of CMCs to their current rival, nickel superalloys.

Cheplak, Matthew L.↗

NASA NTRS2012

Evaluation of Rotor Structural and Aerodynamic Loads using Measured Blade Properties

The structural properties of Higher harmonic Aeroacoustic Rotor Test (HART I) blades have been measured using the original set of blades tested in the wind tunnel in 1994. A comprehensive rotor dynamics analysis is performed to address the effect of the measured blade properties on airloads, blade motions, and structural loads of the rotor. The measurements include bending and torsion stiffness, geometric offsets, and mass and inertia properties of the blade. The measured properties are correlated against the estimated values obtained initially by the manufacturer of the blades. The previously estimated blade properties showed consistently higher stiffnesses, up to 30% for the flap bending in the blade inboard root section. The measured offset between the center of gravity and the elastic axis is larger by about 5% chord length, as compared with the estimated value. The comprehensive rotor dynamics analysis was carried out using the measured blade property set for HART I rotor with and without HHC (Higher Harmonic Control) pitch inputs. A significant improvement on blade motions and structural loads is obtained with the measured blade properties.

Jung, Sung N.↗

NASA NTRSDate not supplied

Assessment of the Accuracy and Consistency of Cloud Property Retrievals from Passive Radiometers with Varying Spectral Information

Over the past few decades, space-based passive radiometers have been used to study the spatial distribution of clouds and some of their basic properties. Modern radiometers have significantly higher spatial resolution and collect more spectral information (i.e., have more spectral bands) than early instruments, and these advances have allowed researchers to characterize cloud physical and microphysical properties with greater detail. There is significant interest in utilizing as much of the existing satellite record as possible to study global and regional changes in cloud occurrence and distribution as well as the associated changes in reflected shortwave and outgoing longwave fluxes. Cloud property retrieval algorithms such as the NASA Satellite Cloud Optical and Radiative Property System (SatCORPS) have traditionally utilized as much spectral information as possible in order to maximize the accuracy of the retrievals. However, changes to the retrieval algorithm over time in order to take advantage of progressively more spectral information results in inconsistencies in cloud properties which in turn results in inconsistencies with products derived from these properties. It is not possible to implement modern state-of-the-art algorithms to earlier instruments which lack diverse spectral information, but many instruments since the early 2000s generally have approximately similar spectral bands in the visible (~0.65 microns), longwave infrared (~11 microns), and in many cases, the midwave infrared (~3.8 microns) and water vapor absorption (~6.7 microns), portions of the electromagnetic spectrum. Different versions of SatCORPS have been implemented with either the full set of spectral information collected by imagers such as GOES-16 and MODIS or with a reduced set of spectral bands in order to be more consistent with past imagers that lack such diverse spectral information. This study uses independent cloud property retrievals from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) to assess the accuracy of the retrievals (e.g., cloud fraction, thermodynamic phase, altitude) from the different retrieval methods and to demonstrate the advantages and disadvantages of using a reduced set of common spectral bands in order to achieve temporal and spatial consistency across different instruments.

Christopher R. Yost↗

NASA NTRS2023

Thermomechanical Property Prediction of Amorphous and Crystal PEKK via Molecular Dynamics

Traditionally, advanced aerospace composites have been manufactured using thermoset resins. However, recently, thermoplastics have been investigated for use in the manufacturing of composite materials due to their unique manufacturing characteristics. Thermoplastic resins can be reshaped and formed, along with the added benefit of being recyclable, which thermoset resin cannot. Thermoplastic materials undergo a crystallization process during manufacturing which affects the percent crystallinity of the material. The crystallization needs to be understood better to maximize the potential of thermoplastic resins. PEKK is a thermoplastic material with good chemical, thermal, and mechanical loading resistance. PEKK is also a material NASA is interested in for developing new bonded joint technology. The crystalline microstructure of PEKK is at the micrometer length scale, and it is of interest to model the effects of the crystallinity structure on PEKK’s bulk properties. Molecular dynamics (MD) is a simulation tool that allows for property-structure relationships between atomistic structure and nanometer-length portions of a material. This makes MD a useful tool for developing the structure-property relationship of PEKK. However, the micrometer length scale of PEKK’s crystal structure is too large for MD. Thus, a hybrid approach to modeling PEKK’s microstructure is proposed in this work where MD models are built of both the amorphous and crystalline phases of PEKK. The engineering material properties can be obtained using MD at the nanometer length scale. A micromechanics approach can then generate the micrometer length scale of the crystallinity and the effective properties can be homogenized. The objective of this paper is to show the MD model workflow and the MD-predicted properties of PEKK. The properties can then be homogenized with different crystalline percentages to build design graphs that can be used to tailor PEKK for specific composite applications.

poly ether ketone ketone↗

NASA NTRS2024

Mineral Dust Optical Properties for Remote Sensing and Global Modeling: A Review

Dust plays a key role in many Earth system processes and is ubiquitous in the Martian atmosphere. Various intensive field campaigns, laboratory analyses, space-based remote sensing missions, and global modeling efforts aim to characterize dust optical properties. This is a bountiful time for dust scientists, and yet the interpretation of retrievals and comparison to models remains complicated by various conflicting assumptions that are part of each algorithm. For example, the conversion of satellite radiance measurements into products like aerosol optical depth for model evaluation depends upon aerosol properties like particle size and shape that are often prescribed and not part of the retrieval. Conversely, the model calculation of aerosol optical depth often uses different assumptions. The goal of this review is to first document algorithmic assumptions by various satellite retrieval products and models, and identify where there is consistency and where there are differences. In general, the differences documented in this paper reflect uncertainties resulting from incomplete observational characterization of dust aerosols and limitations in our understanding. Second, we note what observations might reduce uncertainties in our knowledge and bring greater consistency to retrievals and models, allowing for a more rigorous and harmonious comparison. The lack of comprehensive and realistic shape models for dust is an outstanding issue, such that closure between forward modeling from particle refractive index, shape, and size and observed optical properties cannot be achieved. Limitations in the computational methods that must be applied to model scattering from complex shapes also makes accurate optical modeling for dust challenging. Field observations indicate the persistence of coarse and giant dust particles at higher altitudes and farther downwind from their source than previously expected. Remote sensing retrieval algorithms based on observations at visible wavelengths have limited sensitivity to these particles and generally do not consider them, although a recent product based on longwave radiances is encouraging. Current measurements of the refractive index of bulk dust and fundamental dust minerology components such as hematite vary widely, inhibiting attempts to represent the variability in dust optical properties and forcing, as expected from different major dust source regions on Earth that have varying mineralogical composition. Some remote sensing retrieval algorithms allow for limited refractive index variability in their inversion solutions through mixing with other fine mode aerosol models, or optimizing the single scattering albedo, but Earth system models surveyed for this paper assume a globally uniform, size-invariant refractive index. Although no Martian dust samples have yet been returned to Earth, remote sensing observations indicate that Martian dust is globally homogenous in composition, and a single spectral refractive index assumption has been widely adopted to represent Martian dust. The lack of comprehensive, statistically representative measurements of dust particle microphysical properties (size distribution, morphology, complex index of refraction spectra, internal structure heterogeneity), and the resulting optical properties, limits our ability to verify the fidelity of these assumptions. A chain of measurements is needed, ranging from characterizing individual dust mineralogy components (e.g., pure hematite and goethite) to in situ sampling of complex atmospheric aerosol mixtures. Such results could be applied to both remote sensing retrievals that characterize the optical properties of the total aerosol burden in the atmosphere from total radiance measurements, and to global models that represent the total aerosol burden in the atmosphere by building it up from the balance of individual aerosol sources and sinks.

Aeolian dust↗

DOE OSTI2020

Mechanical Properties of Aged A709

A709 plate is in the process of being developed and qualified through a collaboration by Argonne National Laboratory (ANL), Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL). The goal is to qualify A709 plate in Section III, Division 5 of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). This would permit the construction of A709 plate for fast-reactor structural applications. A tradeoff between creep and creep-fatigue properties was established in prior work. A processing route was identified as providing the optimal balance between creep-rupture and elevated-temperature cyclic properties for the solution annealed condition. This condition, however, resulted in a shorter than desired creep-rupture life. Aging is probed to evaluate its potential at further improving mechanical properties. Aging statically precipitates the solutes in solution prior to service. The processing routes identified as providing the best creep-rupture properties and best balance in mechanical properties are investigated. This report discloses the results from tensile, creep, and elevated-temperature cyclic testing performed at INL on the aged material. The aged properties are compared to solution annealed properties. A709 offers improvement in performance compared to 316H particularly at high temperatures; 316H is a material qualified in Section III, Division 5 of the ASME BPVC. For certain high-temperature fast-reactor design conditions, 316H cannot be used while A709 can.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Review of Graphite Properties Relevant to Micro-Reactor Design

Microreactors are advanced reactors that are designed to be small, scalable, and portable with up to 20 MW power. These reactors could operate independently, or as part of a microgrid, without need of a frequent refueling. Micro-reactors are designed to be deployable to provide electric power in remote locations, therefore providing greater flexibility. Several micro-reactors are under development in the US. These reactors are based on advanced gas-cooled or heat-pipe concepts. While Graphite can be found in various applications, some high-temperature reactors plan to employ Graphite in their core components due to its role as a moderator and its ability to maintain its structural integrity when subjected to elevated temperatures and high neutron fluence. Although there is significant experience with use of Graphite in nuclear applications, there are still unknowns that should be addressed. Graphite properties depend on the graphite type and affected by the fabrication procedures. Material properties are functions of the temperature and irradiation dose. The fundamental properties also affected by the oxidation environment. Therefore, in-depth understanding of graphite properties, including the effect of irradiation, oxidation and other influencing parameters are required to evaluate the design accurately. This draft aims to provide a comprehensive review of material properties for Graphite relevant to micro reactor design. For this work, two distinct grades of graphite were considered, namely IG-110 and Mersen-2114. Physical, thermal, and mechanical properties for these grades were comparatively evaluated. The properties that are discussed in this draft aim to serve as a basis for design and safety analysis.

42 ENGINEERING↗

DOE OSTI2020

STRUCTURE AND PROPERTIES STUDY ON ENERGY MATERIALS: THERMOELECTRIC MATERIAL TETRAHEDRITE AND LITHIUM ION CONDUCTOR

Development of efficient energy materials is critical in order to ease the energy demand and reduce our dependence of fossil fuel. Thermoelectric materials are promising due to their capability of generating electrical power by recovering waste heat. The performance of thermoelectric materials is quantified by a dimensionless figure of merit zT, which depends on their properties such as electrical conductivity, Seebeck coefficient and thermal conductivity. Tetrahedrites, a copper antimony sulfosalt mineral, typified by Cu 12-x MxSb 4 S 13 , where M is a transition metal element such as Ni, Zn, Fe or Mn, have great potential for thermoelectric application due to their relatively high zT (close to 1 at 700 K), earth-abundance, environmental friendliness, favorable electrical properties, and most importantly intrinsic low lattice thermal conductivity (less than 1 W m -1 K -1 ) in wide temperature. In addition to energy recovery, reliable energy storage devices are also emerging to relieve the energy demand and improve the efficiency of consuming energy resources. Lithium-ion batteries are known to be reliable and successful electrochemical energy storage devices and appliable in various aspects, including laptops, smartphones and electrical vehicles. Lithium phosphorous oxynitride (LiPON) are widely used as thin-film solid-state electrolytes in Li-ion battery, which is the only demonstrated solid-state electrolyte that is quite stable in direct contact with Li metal at potentials from 0-5 V. However, the structure of LiPON, the effects of N doping, and the origin of its good electrochemical stability remains inconclusive. In this thesis, reliable modeling techniques accompanied with experimental tools, are applied to study the thermoelectric material tetrahedrite and the ionic conductor LiPON, in order to study their structural and dynamical properties. Accurate and efficient density-functional theory (DFT) and density-functional tight-binding (DFTB) methods, combined with molecular dynamics (MD) simulations are utilized in order to investigate the structures and properties of these energy materials. The incoherent and coherent atomic dynamics study of tetrahedrite Cu 10.5 NiZn 0.5 Sb 4 S 13 provides the origin of softening upon cooling by investigate the motion of Cu12e at different temperatures. The dynamic structure factors in the longitudinal and transverse direction will also be discussed. The Cu movement of Cu-rich tetrahedrite Cu 14 Sb 4 S 13 is revealed by Cu self-diffusivity, nuclear density map and “nudged elastic band” (NEB). Moreover, we investigate the effect of simulation cell size and basis sets on the DFT-based MD simulation results using tetrahedrite Cu1 0 Zn 2 Sb 4 S 13 thermoelectric as a model material, showing the advantage of larger cell by accessing smaller Q range. In addition, the low-temperature structural properties of Cu 12 Sb 4 S 13 is measured by neutron diffraction, which indicates that no cubic to tetragonal transition occurs at metal-semiconductor transition (MST) temperature. Thermoelectric properties such as Seebeck coefficient, electrical resistivity and electrical thermal conductivity will also be investigated. DFTB method is implemented to study the structure and transport properties of Li 3 PO 4 and LiPON, while the exploration of N doping effect is included. Lastly, the LiPON/Li interphase will be revealed in order to study the origin of electrochemical stability.

Li, Junchao↗

DOE OSTI2020

STRUCTURE AND PROPERTIES STUDY ON ENERGY MATERIALS: THERMOELECTRIC MATERIAL TETRAHEDRITE AND LITHIUM ION CONDUCTOR LiPON

Development of efficient energy materials is critical in order to ease the energy demand and reduce our dependence of fossil fuel. Thermoelectric materials are promising due to their capability of generating electrical power by recovering waste heat. The performance of thermoelectric materials is quantified by a dimensionless figure of merit zT, which depends on their properties such as electrical conductivity, Seebeck coefficient and thermal conductivity. Tetrahedrites, a copper antimony sulfosalt mineral, typified by Cu12-xMxSb4S13, where M is a transition metal element such as Ni, Zn, Fe or Mn, have great potential for thermoelectric application due to their relatively high zT (close to 1 at 700 K), earth-abundance, environmental friendliness, favorable electrical properties, and most importantly intrinsic low lattice thermal conductivity (less than 1 W m-1 K-1) in wide temperature. In addition to energy recovery, reliable energy storage devices are also emerging to relieve the energy demand and improve the efficiency of consuming energy resources. Lithium-ion batteries are known to be reliable and successful electrochemical energy storage devices and appliable in various aspects, including laptops, smartphones and electrical vehicles. Lithium phosphorous oxynitride (LiPON) are widely used as thin-film solid-state electrolytes in Li-ion battery, which is the only demonstrated solid-state electrolyte that is quite stable in direct contact with Li metal at potentials from 0-5 V. However, the structure of LiPON, the effects of N doping, and the origin of its good electrochemical stability remains inconclusive.In this thesis, reliable modeling techniques accompanied with experimental tools, are applied to study the thermoelectric material tetrahedrite and the ionic conductor LiPON, in order to study their structural and dynamical properties. Accurate and efficient density-functional theory (DFT) and density-functional tight-binding (DFTB) methods, combined with molecular dynamics (MD) simulations are utilized in order to investigate the structures and properties of these energy materials. The incoherent and coherent atomic dynamics study of tetrahedrite Cu10.5NiZn0.5Sb4S13 provides the origin of softening upon cooling by investigate the motion of Cu12e at different temperatures. The dynamic structure factors in the longitudinal and transverse direction will also be discussed. The Cu movement of Cu-rich tetrahedrite Cu14Sb4S13 is revealed by Cu self-diffusivity, nuclear density map and "nudged elastic band" (NEB). Moreover, we investigate the effect of simulation cell size and basis sets on the DFT-based MD simulation results using tetrahedrite Cu10Zn2Sb4S13 thermoelectric as a model material, showing the advantage of larger cell by accessing smaller Q range. In addition, the low-temperature structural properties of Cu12Sb4S13 is measured by neutron diffraction, which indicates that no cubic to tetragonal transition occurs at metal-semiconductor transition (MST) temperature. Thermoelectric properties such as Seebeck coefficient, electrical resistivity and electrical thermal conductivity will also be investigated. DFTB method is implemented to study the structure and transport properties of Li3PO4 and LiPON, while the exploration of N doping effect is included. Lastly, the LiPON/Li interphase will be revealed in order to study the origin of electrochemical stability

25 ENERGY STORAGE↗