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At least 703 records · Page 39

Effect of hydrogen on tensile properties of 304L stainless steel at cryogenic temperatures

Safe and efficient hydrogen storage and distribution are key attributes to realizing hydrogen as an alternative energy carrier. To this end, cryogenic liquid and cryo-compressed gaseous hydrogen are considered high energy density alternatives to ambient temperature gas. However, these alternatives have significant material demands to overcome extreme temperature (20 K) and pressure (700 bar) as well as hydrogen effects. Austenitic stainless steels are widely used for cryogenic pressure vessels owing to relatively high ductility even at 4 K. However, the influence of hydrogen on mechanical properties at cryogenic temperatures has rarely been studied. In this study, the tensile properties of 304L austenitic stainless steel with internal hydrogen were evaluated at 20 K, 77 K, and 113 K. Test specimens were saturated with internal hydrogen to concentration of 140 wtppm in a high pressure environment at elevated temperature, a process called thermal precharging. While lower temperature in known to increase strength properties and reduced elongation at fracture, the presence of internal hydrogen increased both strength and elongation at fracture, but reduced ductility. Magnetic evaluation of the uniformly strained region of the test specimens suggest that hydrogen mitigates the strain-induced transformation to a’-martensite. Brittle fracture features and secondary cracking indicative of hydrogen embrittlement were observed on the fracture surfaces of hydrogen-precharged specimens, which is consistent with the loss of ductility.

Merkel, Daniel R.↗

Modeled and observed properties related to the direct aerosol radiative effect of biomass burning aerosol over the southeastern Atlantic

Biomass burning smoke is advected over the southeastern Atlantic Ocean between July and October of each year. This smoke plume overlies and mixes into a region of persistent low marine clouds. Model calculations of climate forcing by this plume vary significantly in both magnitude and sign. NASA EVS-2 (Earth Venture Suborbital-2) ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) had deployments for field campaigns off the west coast of Africa in 3 consecutive years (September 2016, August 2017, and October 2018) with the goal of better characterizing this plume as a function of the monthly evolution by measuring the parameters necessary to calculate the direct aerosol radiative effect. Here, this dataset and satellite retrievals of cloud properties are used to test the representation of the smoke plume and the underlying cloud layer in two regional models (WRF-CAM5 and CNRM-ALADIN) and two global models (GEOS and UM-UKCA). The focus is on the comparisons of those aerosol and cloud properties that are the primary determinants of the direct aerosol radiative effect and on the vertical distribution of the plume and its properties. The representativeness of the observations to monthly averages are tested for each field campaign, with the sampled mean aerosol light extinction generally found to be within 20 % of the monthly mean at plume altitudes. When compared to the observations, in all models, the simulated plume is too vertically diffuse and has smaller vertical gradients, and in two of the models (GEOS and UM-UKCA), the plume core is displaced lower than in the observations. Plume carbon monoxide, black carbon, and organic aerosol masses indicate underestimates in modeled plume concentrations, leading, in general, to underestimates in mid-visible aerosol extinction and optical depth. Biases in mid-visible single scatter albedo are both positive and negative across the models. Observed vertical gradients in single scatter albedo are not captured by the models, but the models do capture the coarse temporal evolution, correctly simulating higher values in October (2018) than in August (2017) and September (2016). Uncertainties in the measured absorption Ångstrom exponent were large but propagate into a negligible (<4 %) uncertainty in integrated solar absorption by the aerosol and, therefore, in the aerosol direct radiative effect. Model biases in cloud fraction, and, therefore, the scene albedo below the plume, vary significantly across the four models. The optical thickness of clouds is, on average, well simulated in the WRF-CAM5 and ALADIN models in the stratocumulus region and is underestimated in the GEOS model; UM-UKCA simulates cloud optical thickness that is significantly too high. Overall, the study demonstrates the utility of repeated, semi-random sampling across multiple years that can give insights into model biases and how these biases affect modeled climate forcing. The combined impact of these aerosol and cloud biases on the direct aerosol radiative effect (DARE) is estimated using a first-order approximation for a subset of five comparison grid boxes. A significant finding is that the observed grid box average aerosol and cloud properties yield a positive (warming) aerosol direct radiative effect for all five grid boxes, whereas DARE using the grid-box-averaged modeled properties ranges from much larger positive values to small, negative values. It is shown quantitatively how model biases can offset each other, so that model improvements that reduce biases in only one property (e.g., single scatter albedo but not cloud fraction) would lead to even greater biases in DARE. Across the models, biases in aerosol extinction and in cloud fraction and optical depth contribute the largest biases in DARE, with aerosol single scatter albedo also making a significant contribution.

54 ENVIRONMENTAL SCIENCES↗

Compositional effects on cure kinetics, mechanical properties and printability of dual-cure epoxy/acrylate resins for DIW additive manufacturing

Interest in 3D printing of thermoset resins has increased significantly in recent years. One approach to additive manufacturing of thermoset resins is printing dual-cure resins with direct ink write (DIW). Dual-cure resins are multi-component resins which employ an in situ curable constituent to enable net-shape fabrication while a second constituent and cure mechanism contribute to the final mechanical properties of the printed materials. In this work, the cure kinetics, green strength, printability, and print fidelity of dual-cure epoxy/acrylate thermoset resins are investigated. Resin properties are evaluated as a function of acrylate concentration and in situ UV exposure conditions. The acrylate cure kinetics are probed using photo-differential scanning calorimetry and the impacts of resin composition and UV cure profile on the acrylate extent of conversion are presented. Continuous and pulsed UV cure profiles are shown to affect total conversion due to variances in radical efficiency at different UV intensities and acrylate concentrations. The effects of acrylate concentration on the kinetics of the epoxy thermal cure and the final mechanical properties are also investigated using dynamic mechanical analysis and three-point bend measurements. The glass transition temperature is dependent on formulation, with increasing acrylate content decreasing the T g . However, the room temperature shear moduli, flexural moduli, strength, strain-to-failure, and toughness values are relatively independent of resin composition. The similarity of the final properties allows for greater flexibility in resin formulation and in situ cure parameters, which can enable the printing of complex parts that require high green strength. We found that the in situ UV print intensities and exposure profiles that are necessary to achieve the best print quality are not, in most cases, the conditions that maximize conversion of the acrylate network. Lastly, this highlights the importance of developing optimized resin compositions which enable complete cure of the acrylate network by promoting acrylate dark cure or thermal cure.

36 MATERIALS SCIENCE↗

Effect of localized polycrystalline silicon properties on solar cell performance

Several forms of polycrystalline silicon, mostly from cast ingots, (including UCP, SILSO and HEM) were studied. On typical slices, localized properties were studied in two ways. Small area (about 2.5 sq mm) mesa diodes were formed, and localized photovoltaic properties were measured. Also a small area (about .015 sq mm) light spot was scanned across the cells; the light spot response was calibrated to measure local diffusion length directly. Using these methods, the effects of grain boundaries, or of intragrain imperfections were correlated with cell performance. Except for the fine grain portion of SILSO, grain boundaries played only a secondary role in determining cell performance. The major factor was intra-grain material quality and it varied with position in ingots and probably related to solidification procedure.

Leung, D.↗

Interaction of ocean waves with a soft bottom

Soft muddy bottoms have significant effects on properties of water waves which propagate over them. The wave dispersion equation is modified and wave energy is dissipated by the coupling between the waves in water and those induced in the mud layer. These effects are theoretically determined by assuming a viscoelastic mud layer. A boundary-value problem is solved for the water-mud system with sinusoidal waves. The theoretical dissipation rates are compared favorably with field measurements.

Hsiao, S. V.↗

Single-Step Fabrication of Au-Fe-BaTiO3 Nanocomposite Thin Films Embedded with Non-Equilibrium Au-Fe Alloyed Nanostructures

Nanocomposite thin film materials present great opportunities in coupling materials and functionalities in unique nanostructures including nanoparticles-in-matrix, vertically aligned nanocomposites (VANs), and nanolayers. Interestingly the nanocomposites processed through a non-equilibrium processing method, e.g., pulsed laser deposition (PLD), often possess unique metastable phases and microstructures that could not achieve using equilibrium techniques, and thus lead to novel physical properties. In this work, a unique three-phase system composed of BaTiO3 (BTO), with two immiscible metals, Au and Fe, is demonstrated. By adjusting the deposition laser frequency from 2 Hz to 10 Hz, the phase and morphology of Au and Fe nanoparticles in BTO matrix vary from separated Au and Fe nanoparticles to well-mixed Au-Fe alloy pillars. This is attributed to the non-equilibrium process of PLD and the limited diffusion under high laser frequency (e.g., 10 Hz). The magnetic and optical properties are effectively tuned based on the morphology variation. This work demonstrates the stabilization of non-equilibrium alloy structures in the VAN form and allows for the exploration of new non-equilibrium materials systems and their properties that could not be easily achieved through traditional equilibrium methods.

36 MATERIALS SCIENCE↗

Updates to the Predictive Materials Modeling Software Tools

Updates on NASA's efforts to build predictive material models from the micro-scale to the macro-scale are presented. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. The PuMA (microstructure analysis), PATO (macroscale material response), SPARTA (direct simulation Monte Carlo) and ARCHeS (arc heater modeling) codes are described. A range of applications, encompassing calculating effective material properties, study of high shear boundary layer flow over woven materials, new model of silicone-based coatings, new model of mechanical erosion, as well as approach to loose multi-physics coupling, are presented.

material modeling↗

Effective Selective Area Doping for GaN Vertical Power Transistors Enabled by Innovative Materials Engineering

GaN vertical power transistors have emerged as promising candidates for future high efficiency high power electronic applications, with the potential to outperform conventional GaN lateral power devices in terms of power, breakdown, and avalanche characteristics. However, the development of current GaN vertical power transistors is seriously hindered by the poor materials performance of selective area doped p-n junctions. A mechanistic understanding of these fundamental materials issues is essential in order to achieve high performance selective area doped p-n junctions and consequently to advance the GaN vertical power transistor technology. To address this challenge, we carried out a comprehensive research program that advance fundamental knowledge in the selective area doping for GaN materials, and which will lead to the development of high performance GaN vertical power transistors. First, we developed innovative fabrication processes, including novel surface etching, surface passivation, and metalorganic chemical vapor deposition (MOCVD) growth, which provided enhanced opportunities for solving the unique challenges of selective area doping in GaN materials. Second, we performed a fundamental materials study using powerful characterization methods including transmission electron microscopy (TEM), ultraviolet (UV-), x-ray and angle-resolved photoelectron spectroscopy (UPS/XPS/ARPES), electron holography, and cathodoluminescence (CL); Third, we investigated several related issues, including Mg incorporation, polarization effects in carrier transport, and non-ideal material effects, which have rarely been explored so far. At the end of this project, we successfully demonstrated (1) fundamental understanding of selective area etching, regrowth, and doping of GaN, and associated knowledge on defects, interface, and breakdown properties. (2) Effective etch and regrowth processing recipes to achieve etch/regrowth GaN p-n diodes with very low leakage of 3.5 nA at 600 V, which meets the ARPA-E target. (2) High performance vertical GaN p-n didoes and vertical junction termination extension (JTE) devices with breakdown voltage of ~ 2 kV, and breakdown electric field of ~ 3.5 MV/cm, which are close to the performance limit of GaN. The successful outcome has resulted in new fundamental understandings in the selective area doping and regrowth process for GaN, which will lead to groundbreaking GaN vertical transistors for high performance next generation power electronics.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effect of molecular weight on polyphenylquinoxaline properties

A series of polyphenyl quinoxalines with different molecular weight and end-groups were prepared by varying monomer stoichiometry. Thus, 4,4'-oxydibenzil and 3,3'-diaminobenzidine were reacted in a 50/50 mixture of m-cresol and xylenes. Reaction concentration, temperature, and stir rate were studied and found to have an effect on polymer properties. Number and weight average molecular weights were determined and correlated well with viscosity data. Glass transition temperatures were determined and found to vary with molecular weight and end-groups. Mechanical properties of films from polymers with different molecular weights were essentially identical at room temperature but showed significant differences at 232 C. Diamine terminated polymers were found to be much less thermooxidatively stable than benzil terminated polymers when aged at 316 C even though dynamic thermogravimetric analysis revealed only slight differences. Lower molecular weight polymers exhibited better processability than higher molecular weight polymers.

Jensen, Brian J.↗

Effects of high energy radiation on the mechanical properties of epoxy graphite fiber reinforced composites

The effects of high energy radiation on mechanical properties and on the molecular and structural properties of graphite fiber reinforced composites are assessed so that durability in space applications can be predicted. A listing of composite systems irradiated along with the maximum radiation dose applied and type of mechanical tests performed is shown. These samples were exposed to 1/2 MeV electrons.

Gilbert, R. D.↗

Effect of dissociation on thermodynamic properties of pure diatomic gases

A graphical method is described by which the enthalpy, entropy, and compressibility factor for the equilibrium mixture of atoms and diatomic molecules for pure gaseous elements may be obtained and shown for any dissociating element for which the necessary data exist. Results are given for hydrogen, oxygen, and nitrogen. The effect of dissociation on the heat capacity is discussed briefly.

Woolley, Harold W↗

Design Considerations for Phase Change Material-Incorporated Heat Exchangers in Water Heating

In recent years, the buildings sector has seen major pushes towards decarbonization through innovations that promote deep electrification. 20% of an average household's energy use comes from water heating, and in the US, over half of all households still use gas water heaters. Of those that use electricity for water heating, the majority use resistive elements rather than heat pump water heaters (HPWHs), the latter of which use 60-70% less energy than the former. However, HPWHs tend to have larger dimensions, preventing current 50-80-gallon tanks on the market from fitting into smaller utility closets sized for 30-40 gallons, such as those found in manufactured housing. Additionally, these smaller HPWHs tend to underperform relative to their larger counterparts. One solution that addresses both space and performance concerns is thermal energy storage, and in particular, phase change materials (PCMs). This study outlines the design process used to produce novel PCM heat exchangers for use in small-volume HPWH tanks, including the identification of design constraints and performance targets relevant to real-world applications. To ensure optimal PCM utilization and tank storage capacity, this works seeks to co-maximize surface area and PCM volume; therefore, this research targets triply periodic minimal surface (TPMS) lattices, which boast enhanced heat transfer capabilities compared to traditional heat exchanger geometries. Starting with a suite of TPMS lattices, we demonstrate a systematic approach for narrowing down feasible designs that comply with identified constraints while meeting PCM performance objectives. Our current results indicate that tuning lattice properties can effectively produce geometries that provide enough energy storage to achieve a 50-gallon capacity out of a 40-gallon HPWH, even when placing the PCM heat exchanger inside the tank. Additionally, we demonstrate successful fabrication of lattices with these tuned properties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A micromechanics-based progressive failure model for laminated composite structures

A micromechanics-based mechanistic model for progressive failure analysis of laminated composite shell structures is developed. A finite-element program for laminated shell analysis is coupled with a micromechanical elasticity solution for predicting failure and effective composite properties. The laminate model is based on a third-order shell theory which allows for both transverse normal and shearing deformations. Results are presented for the progressive failure of a (0/90(4)s graphite/epoxy laminate under uniaxial tension. The effect of fiber volume fraction in the 90-deg plies on laminate behavior was studied, and it was found that decreasing the fiber-volume fraction in the off-axis plies did not affect the laminate stiffness or the ultimate failure load, but significantly increased the load at which initial failure occurred.

Averill, R. C.↗

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hygrothermal aging and recycling effects on mechanical and thermal properties of recyclable thermoplastic glass fiber composites

Abstract Glass fiber‐reinforced polymer composites are widely used in marine applications, including renewable energy devices and submarines, due to their strength‐to‐weight ratios and corrosion resistance. As sustainability becomes more important, recyclable thermoplastic composites are gaining attention in marine energy applications. These materials face harsh conditions such as high chloride water, UV radiation, pressurization, and thermal cycling, which can affect their durability and recyclability. This study examines the impact of hygrothermal aging on the recyclability of an Elium glass fiber (GF) composite. Samples were mechanically ground for recycling, and mechanical and thermal properties were compared between aged and unaged samples. After seawater aging, the tensile strength and modulus of the unaged composite dropped by 25% and 13% respectively, due to water ingress along the fiber‐matrix interface. The recycled composite showed reduced flexural strength as the long fiber composite was converted into short fibers during the process. Differential scanning calorimetry (DSC) revealed no change in glass transition temperature after aging. Weight loss (25%) was attributed to the thermal stability of the glass fibers. Dynamic mechanical analysis (DMA) showed that the storage modulus increased with aging, and fracture analysis confirmed a mixed mode of failure for aged composites. Highlights Hygrothermal aging lowers mechanical performance of Elium® GF composites. Failure mechanism tends to be matrix cracking and interface bonding. Glass transition temperature is not reduced by hygrothermal aging. Fractured composite was successfully recycled via thermoforming. Flexural strength of the recycled composite is lower.

17 WIND ENERGY↗

Properties of VPPA-Welded 2219-T87 Aluminum

Metallurgical properties and effects of welding described. Report describes investigation of welding of 2219-T87 aluminum alloy by variable-polarity plasma-arc (VPPA) process. Research was to determine highest strength attainable with this alloy and process and to estimate changes in weld properties caused by variations of process controls. Alloy 2219 strong and heat treatable and retains structural integrity up to 600 degrees F (316 degress C). Is principal structural alloy of Space Shuttle external tank. VPPA process offers many advantages and replaces tungsten/inert-gas process used. In over 24,000 in. (610 m) of welds on tank, there has been no internal defect requiring manual repair.

Wilson, W.↗