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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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Single crystal growth for X-ray scattering experiments in determination of binary alloy physical and mechanical alloy
Electric polarity effect in coaxial plasma accelerators - possible mechanism for behavior of current sheet
Concrete production contributes heavily to greenhouse gas emissions, thus a need exists for the development of durable and sustainable concrete with a lower carbon footprint. This can be achieved when cement is partially replaced with another material, such as waste plastic, though normally with a tradeoff in compressive strength. This study discusses progress toward a high/medium strength concrete with a dense, cementitious matrix that contains an irradiated plastic additive, recovering the compressive strength while displacing concrete with waste materials to reduce greenhouse gas generation. Compressive strength tests showed that the addition of high dose (100 kGy) irradiated plastic in multiple concretes resulted in increased compressive strength as compared to samples containing regular, nonirradiated plastic. This suggests that irradiating plastic at a high dose is a viable potential solution for regaining some of the strength that is lost when plastic is added to cement paste. X-ray Diffraction (XRD), Backscattered Electron Microscopy (BSE), and X-ray microtomography explain the mechanisms for strength retention when using irradiated plastic as a filler for cement paste. By partially replacing Portland cement with a recycled waste plastic, this design may have a potential to contribute to reduced carbon emissions when scaled to the level of mass concrete production.
Based on a series of FEA simulations, the discussions and the conclusions concerning the impact of the interface bonding efficiency to SNF vibration integrity are provided in this report; this includes the moment carrying capacity distribution between pellets and clad, and the impact of cohesion bonding on the flexural rigidity of the surrogate rod system. As progressive de-bonding occurs at the pellet-pellet interfaces and at the pellet-clad interface, the load ratio of the bending moment carrying capacity gradually shifts from the pellets to the clad; the clad starts to carry a significant portion of the bending moment resistance until reaching the full de-bonding state at the pellet-pellet interface regions. This results in localized plastic deformation of the clad at the pellet-pellet-clad interface region; the associated plastic deformations of SS clad leads to a significant degradation in the stiffness of the surrogate rod. For instance, the flexural rigidity was reduced by 39% from the perfect bond state to the de-bonded state at the pellet-pellet interfaces.
The objective of this research program is to discover and develop new approaches for ab initio computational simulations of molecular motion. Specifically, this program aims to decipher the connection between the underlying electronic structure and the accordant molecular vibrations in reactive ions and radicals for renewable-energy purposes. Recent experimental progress in ion sources and optical spectroscopies has unearthed considerable new inner-sphere detail for these complexes, but the connection between these spectral signatures and mechanistic information often remains elusive, to the continued frustration of experimentalists. For this purpose, new anharmonic vibrational frequency methods, along with a publicly deployed software package, will be developed. Working closely with committed experimental collaborators, this conceptual and computational framework will be used to explain the results of new spectroscopy experiments, focusing specifically on the inner-shell mechanisms of renewable-energy catalysis. The oxidation half of catalytic water-splitting chemistry will be a central focus, along with fundamental studies of the manner in which strong ions and radicals activate solvent as a chemical species. The resulting products of the research program will include openly available software and algorithms for the ab initio simulation of challenging vibrational spectra, as well as critical mechanistic insight into energy-focused catalytic processes that are opaque to other existing analytical techniques.
The PHENIX Project is a 6-year U.S./Japan bilateral, multi-institutional collaboration program for the Technological Assessment of Plasma Facing Components for DEMO Reactors. The goal is to address the technical feasibility of helium-cooled divertor concepts using tungsten as the armor material in fusion power reactors. The project specifically attempts to (1) improve heat transfer modeling for helium-cooled divertor systems through experiments including steady-state and pulsed high-heat-load testing, (2) understand the thermomechanical properties of tungsten metals and alloys under divertor-relevant neutron irradiation conditions, and (3) determine the behavior of tritium in tungsten materials through high-flux plasma exposure experiments. The High Flux Isotope Reactor and the Plasma Arc Lamp facility at Oak Ridge National Laboratory, the Tritium Plasma Experiment facility at Idaho National Laboratory, and the helium loop at Georgia Institute of Technology are utilized for evaluation of the response to high heat loads and tritium interactions of irradiated and unirradiated materials and components. This paper provides an overview of the progress achieved during the first 3 years and discusses the plan for the remainder of the project.
There has been remarkable recent progress in engineering high-dielectric constant two dimensional (2D) materials, which are being actively pursued for applications in nanoelectronics in capacitor and memory devices, energy storage, and high-frequency modulation in communication devices. Yet many of the unique properties of these systems are poorly understood and remain unexplored. Here we report a numerical study of hopping conductivity of the lateral network of capacitors, which models two-dimensional insulators, and demonstrate that 2D long-range Coulomb interactions lead to peculiar size effects. We find that the characteristic energy governing electronic transport scales logarithmically with either system size or electrostatic screening length depending on which one is shorter. Our results are relevant well beyond their immediate context, explaining, for example, recent experimental observations of logarithmic size dependence of electric conductivity of thin superconducting films in the critical vicinity of superconductor-insulator transition where a giant dielectric constant develops. Our findings mark a radical departure from the orthodox view of conductivity in 2D systems as a local characteristic of materials and establish its macroscopic global character as a generic property of high-dielectric constant 2D nanomaterials.
An implementation of the vector potential approach (VPA) for treating the response of infinite periodic systems to static and dynamic electric fields has been initiated within the CRYSTAL code. The VPA method is based on the solution of a time-dependent Hartree-Fock or Kohn-Sham equation for the crystal orbitals wherein the usual scalar potential, that describes interaction with the field, is replaced by the vector potential. This equation may be solved either by perturbation theory or by finite field methods. With some modification all the computational procedures of molecular ab initio quantum chemistry can be adapted for periodic systems. Accessible properties include the linear and nonlinear responses of both the nuclei and the electrons. The programming of static field pure electronic (hyper)polarizabilities has been successfully tested. Dynamic electronic (hyper)polarizabilities, as well as infrared and Raman intensities, are in progress while the addition of finite fields for calculation of vibrational (hyper)polarizabilities, through nuclear relaxation procedures, will begin shortly.
From the stone age, to the bronze, iron age, and modern silicon age, the discovery and characterization of new materials has always been instrumental to humanity's progress and development. With the current pressing need to address sustainability challenges and find alternatives to fossil fuels, we look for solutions in the development of new materials that will allow for renewable energy. To discover materials with the required properties, materials scientists can perform high-throughput materials discovery, which includes rapid synthesis and characterization via X-ray diffraction (XRD) of thousands of materials. A central problem in materials discovery, the phase map identification problem, involves the determination of the crystal structure of materials from materials composition and structural characterization data. This analysis is traditionally performed mainly by hand, which can take days for a single material system. In this work we present Phase-Mapper, a solution platform that tightly integrates XRD experimentation, AI problem solving, and human intelligence for interpreting XRD patterns and inferring the crystal structures of the underlying materials. Phase-Mapper is compatible with any spectral demixing algorithm, including our novel solver, AgileFD, which is based on convolutive non-negative matrix factorization. AgileFD allows materials scientists to rapidly interpret XRD patterns, and incorporates constraints to capture prior knowledge about the physics of the materials as well as human feedback. With our system, materials scientists have been able to interpret previously unsolvable systems of XRD data at the Department of Energy’s Joint Center for Artificial Photosynthesis, including the Nb-Mn-V oxide system, which led to the discovery of new solar light absorbers and is provided as an illustrative example of AI-enabled high throughput materials discovery
Progress is reported in an effort to study the three dimensional separation of fluid flow around two isolated cylinders mounted on an endwall. The design and performance of a hydrogen bubble generator for water tunnel tests to determine bulk flow properties and to measure main stream velocity and boundary layer thickness are described. Although the water tunnel tests are behind schedule because of inlet distortion problems, tests are far enough along to indicate cylinder spacing, wall effects and low Reynolds number behavior, all of which impacted wind tunnel model design. The construction, assembly, and operation of the wind tunnel and the check out of its characteristics are described. An off-body potential flow program was adapted to calculate normal streams streamwise pressure gradients at the saddle point locations.
The National Aeronautics and Space Administration's Balloon Program office has long acknowledged that the accurate modeling of balloon performance and flight prediction is dependant on how well the balloon is thermally modeled. This ongoing effort is focused on developing accurate balloon thermal models that can be used to quickly predict balloon temperatures and balloon performance. The ability to model parametric changes is also a driver for this effort. This paper will present the most recent advances made in this area. This research effort continues to utilize the "Thrmal Desktop" addition to AUTO CAD for the modeling. Recent advances have been made by using this analytical tool. A number of analyses have been completed to test the applicability of this tool to the problem with very positive results. Progressively detailed models have been developed to explore the capabilities of the tool as well as to provide guidance in model formulation. A number of parametric studies have been completed. These studies have varied the shape of the structure, material properties, environmental inputs, and model geometry. These studies have concentrated on spherical "proxy models" for the initial development stages and then to transition to the natural shaped zero pressure and super pressure balloons. An assessment of required model resolution has also been determined. Model solutions have been cross checked with known solutions via hand calculations. The comparison of these cases will also be presented. One goal is to develop analysis guidelines and an approach for modeling balloons for both simple first order estimates and detailed full models. This papa presents the step by step advances made as part of this effort, capabilities, limitations, and the lessons learned. Also presented are the plans for further thermal modeling work.
A brief overview is presented of the sensors and electronics development work ongoing at NASA Glenn Research Center which is intended to meet the needs of future aerospace applications. Three major technology areas are discussed: 1) high temperature SiC electronics, 2) SiC gas sensor technology development, and 3) packaging of harsh environment devices. Highlights of this work include world-record operation of SiC electronic devices including 500?C JFET transistor operation with excellent properties, atomically flat SiC gas sensors integrated with an on-chip temperature detector/heater, and operation of a packaged AC amplifier. A description of the state-of-the-art is given for each topic. It is concluded that significant progress has been made and that given recent advancements the development of high temperature smart sensors is envisioned.
Skin-stiffener separation in stiffened composite panels consists of a complex interaction between multiple scales of progressive damage and failure mechanisms. This work used a superposed cohesive element method of modeling resistance curve effects that represents the structural interface of a unidirectional tape skin and a fabric stiffener. Finite element models using cohesive elements with input properties obtained from tape-to-fabric interface characterization tests were compared to experimental results of a stable skin-stiffener separation characterization test using a seven-point bend fixture. This fixture deformed the stiffened panel specimens into a buckled configuration which induced mixed-mode interlaminar stress states at the skin-stiffener interface. The advantage of this fixture was the potential for more stable damage initiation and delamination growth compared to a stringer-stiffened panel under axial compression. Use of the superposed cohesive elements showed promise, but the characterization of interface material properties as input to the cohesive elements remains a crucial component to be investigated to ensure accurate prediction of skin-stiffener separation.
Critical infrastructures (CIs) such as power, water, transportation, and telecommunication are highly complex interacting systems that are vital to national security, economy and public life. They play an important role in several core urban computing challenges. Advances in computing resources and techniques have led to enormous progress in developing intelligent frameworks for analyzing these large heterogeneous systems. In this article, we survey state-of-the-art and foundational work in this upcoming area from a data mining perspective. We discuss basic concepts of CIs, their properties, impacts on them due to natural or human-caused disturbances and different computational methodologies used for modeling and understanding their behavior. We also discuss recent work that specifically deals with two critical sectors of CIs, namely power and transportation systems. Lastly, we also describe several existing tools and methods that are used to facilitate decision making for domain operators, enable efficient and faster disaster response for federal and state agencies and help improve the security and resiliency of these CIs.
For the purpose of performing safety analysis and risk assessment for a probable offnominal suborbital/orbital atmospheric reentry resulting in vehicle breakup, a synthesis of trajectory propagation coupled with thermal analysis and the evaluation of node failure is required to predict the sequence of events, the timeline, and the progressive demise of spacecraft components. To provide this capability, the Simulation for Prediction of Entry Article Demise (SPEAD) analysis tool was developed. This report discusses the capabilities, modeling, and validation of the SPEAD analysis tool. SPEAD is applicable for Earth or Mars, with the option for 3 or 6 degrees-of-freedom (DOF) trajectory propagation. The atmosphere and aerodynamics data are supplied in tables, for linear interpolation of up to 4 independent variables. The gravitation model can include up to 20 zonal harmonic coefficients. The modeling of a single motor is available and can be adapted to multiple motors. For thermal analysis, the aerodynamic radiative and free-molecular/continuum convective heating, black-body radiative cooling, conductive heat transfer between adjacent nodes, and node ablation are modeled. In a 6- DOF simulation, the local convective heating on a node is a function of Mach, angle-ofattack, and sideslip angle, and is dependent on 1) the location of the node in the spacecraft and its orientation to the flow modeled by an exposure factor, and 2) the geometries of the spacecraft and the node modeled by a heating factor and convective area. Node failure is evaluated using criteria based on melting temperature, reference heat load, g-load, or a combination of the above. The failure of a liquid propellant tank is evaluated based on burnout flux from nucleate boiling or excess internal pressure. Following a component failure, updates are made as needed to the spacecraft mass and aerodynamic properties, nodal exposure and heating factors, and nodal convective and conductive areas. This allows the trajectory to be propagated seamlessly in a single run, inclusive of the trajectories of components that have separated from the spacecraft. The node ablation simulates the decreasing mass and convective/reference areas, and variable heating factor. A built-in database provides the thermo-mechanical properties of For the purpose of performing safety analysis and risk assessment for a probable offnominal suborbital/orbital atmospheric reentry resulting in vehicle breakup, a synthesis of trajectory propagation coupled with thermal analysis and the evaluation of node failure is required to predict the sequence of events, the timeline, and the progressive demise of spacecraft components. To provide this capability, the Simulation for Prediction of Entry Article Demise (SPEAD) analysis tool was developed. This report discusses the capabilities, modeling, and validation of the SPEAD analysis tool. SPEAD is applicable for Earth or Mars, with the option for 3 or 6 degrees-of-freedom (DOF) trajectory propagation. The atmosphere and aerodynamics data are supplied in tables, for linear interpolation of up to 4 independent variables. The gravitation model can include up to 20 zonal harmonic coefficients. The modeling of a single motor is available and can be adapted to multiple motors. For thermal analysis, the aerodynamic radiative and free-molecular/continuum convective heating, black-body radiative cooling, conductive heat transfer between adjacent nodes, and node ablation are modeled. In a 6- DOF simulation, the local convective heating on a node is a function of Mach, angle-ofattack, and sideslip angle, and is dependent on 1) the location of the node in the spacecraft and its orientation to the flow modeled by an exposure factor, and 2) the geometries of the spacecraft and the node modeled by a heating factor and convective area. Node failure is evaluated using criteria based on melting temperature, reference heat load, g-load, or a combination of the above. The failure of a liquid propellant tank is evaluated based on burnout flux from nucleate boiling or excess internal pressure. Following a component failure, updates are made as needed to the spacecraft mass and aerodynamic properties, nodal exposure and heating factors, and nodal convective and conductive areas. This allows the trajectory to be propagated seamlessly in a single run, inclusive of the trajectories of components that have separated from the spacecraft. The node ablation simulates the decreasing mass and convective/reference areas, and variable heating factor. A built-in database provides the thermo-mechanical properties of
There are two major objectives in this report; (1) to optimize microstructure control of ATF FeCrAl alloys during tube drawing processes, and (2) to provide an update on the progress of ATF FeCrAl tube production via commercial manufacturers. Experimental efforts have been made to optimize the process parameters balancing the tube fabricability, especially for tube drawing processes, and microstructure control of the final tube products. Lab-scale sheet materials of Gen II FeCrAl alloys (Mo-containing and Nb-containing FeCrAl alloys) were used in the study, combined with a stepwise warm-rolling process and intermediate annealing, aiming to simulate the tube drawing process in a commercial tube manufacturer. The intermediate annealing at 650ºC for 1h was suggested for the tube-drawing process of Mo-containing FeCrAl alloys because it successfully softened the material by recovering the work hardening introduced through the rolling step, without inducing grain coarsening due to recrystallization. The final tube product is expected to have stabilized deformed microstructure providing the improved tensile properties with sufficient ductility. Optimization efforts on Nb-containing FeCrAl alloys focused on the effect of alloying additions and annealing conditions on the stability of deformed microstructure. Relationships between the second-phase precipitates (Fe 2 Nb-Laves phase) and microstructure stability are discussed. FeCrAl tube production through commercial tube manufacturers is currently in progress. Three different manufacturers, Century Tubes, Inc. (CTI), Rhenium Alloys, Inc. (RAI), and Superior Tube Company, Inc. (STC), are providing capabilities for cold-drawing, warm-drawing, and HPTR cold-pilgering, respectively. The first two companies are currently working on large quantity tube production (expected 250 ft length) of Gen I model FeCrAl alloy (B136Y3, at CTI) and Gen II (C35M4, at RAI), with the process parameters obtained from the experimental efforts. The expected delivery dates are at the end of July, 2016, and the middle of June, 2016, respectively. Tube production at STC would be the first attempt to apply cold-pilgering to the FeCrAl alloys. Communication has been initiated, and the materials have been machined for the cold-pilgering process.
The durability of PEM fuel cells is a primary requirement for large scale commercialization of these power systems in transportation and stationary market applications which target operational lifetimes of 5,000 hours and 60,000 hours by 2020, respectively. Key degradation modes contributing to fuel cell lifetime limitations have been largely associated with the platinum-based cathode catalyst layer. Furthermore, as fuel cells are driven to low cost materials and lower catalyst loadings in order to meet the cost targets for commercialization, the catalyst durability has become even more important. While over the past few years significant progress has been made in identifying the underlying causes of fuel cell degradation and key parameters that greatly influence the degradation rates, many gaps with respect to knowledge of the driving mechanisms still exist; in particular, the acceleration of the mechanisms due to different membrane compositions remains an area not well understood. The focus of this project extension was to enhance the predictive capability of the PEM Fuel Cell Performance & Durability Model called FC-APOLLO (Application Package for Open-source Long Life Operation) by including interaction effects of membrane transport properties such as water transport, changes in proton conductivity, and overall water uptake/adsorption and the state of the catalyst layer local conditions to further understand the driving forces for platinum dissolution.
We have made significant progress towards the proposal goals of understanding the causes and effects of magnetic activity-induced radial velocity (v_r) jitter and developing methods for correcting it. In the process, we have also made some significant discoveries in the fields of planet-induced stellar activity, planet detection methods, M dwarf convection, starspot properties, and magnetic dynamo cycles. We have obtained super high resolution (R approximately 200,000), high S / N (greater than 300) echelle study of joint line bisector and radial velocity variations using the McDonald 2-D coude. A long observing run in October 2002 in particular was quite successful (8 clear nights). We now have close to three years of data, which begins to sample a good fraction of the magnetic cycle timescales for some of our targets (e.g., kappa Ceti; P_cyc = 5.6 yrs). This will be very helpful in unraveling the complex relationships between plage and radial velocity (v-r) changes which we have uncovered. Preliminary analysis (Saar et al. 2003) of the data in hand, reveals correlations between median line bisector displacement and v_r. The correlation appears to be specific the the particular star being considered, probably since it is a function of both spectral type and rotation rate. Further analysis and interpretation will be in the context of evolving plage models and is in progress.