Simulation of Venus atmospheric entry by earth re-entry.
Atmospheric gas composition effects on shock layer radiative heat transfer and heat shield response in Venus entry simulated by earth reentry
Spiegel, J. M.↗
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Results for “Compositional simulation”
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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How Selective Transport Layer Improves Efficiency and Durability of Proton Exchange Membrane Fuel Cells
In any electrochemical device, the separator or membrane allows specific ions to transport but blocks electrons and other chemical species, enabling the electrochemical energy to be harvested. However, small amounts of undesired species are known to permeate through the membrane, reducing overall system efficiency and lifetime. An emerging concept called the “Selective Transport Layer” preferentially allows only protons to pass through but reduces the permeance of other species by a meaningful degree. Here, in this study, we demonstrate that a 60 nm thick graphene oxide composite layer can be very effective in reducing gas and ion permeation, even for a gas as small as H 2 , while not noticeably increasing proton transport resistance. In electrode and membrane accelerated stability tests, we show that both electrode and membrane durability are improved by a factor of two. Microscopy and mathematic simulations confirm that the graphene oxide composite is effective in blocking transport of dissolved Pt 2+ . The improved durability and reduced H 2 fuel crossover are expected to substantially reduce initial and operating costs of the fuel cell system. How this technology may affect other membrane-based electrochemical devices is also discussed.
Ngo, Phuong Quynh [General Motors, Pontiac, MI (Un↗
Kinetics of hydrogen adsorption on MgH{sub 2}/CNT composite
Highlights: • Hydrogen adsorption comparisons of commercial, milled, and MgH{sub 2} composite. • Hydrogen adsorption capacity and kinetics improves tremendously by CNT embedding. • Unsteady state modeling and simulation of adsorption kinetics. - Abstract: Magnesium hydride (MgH{sub 2})–carbon nanotubes (CNT) composite has been prepared by high-energy ball milling method and their experimental and kinetic hydrogen adsorption studies was assessed. Hydrogen adsorption studies were performed by Sievert’s volumetric apparatus and kinetic evaluation was conducted by surface chemistry and Langmuir–Hinshelwood–Hougen–Watson (LHHW) type mode. Powder X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) were performed. Hydrogen adsorption capacity of commercial MgH{sub 2}, milled MgH{sub 2}, and MgH{sub 2}/CNT composite are found to be 0.04, 0.057, and 0.059 g (H{sub 2})/g (MgH{sub 2}) at 673 K and hydrogen pressure of 4.6 MPa. Addition of 5 wt% of CNTs to MgH{sub 2} proved to be very critical to enhance hydrogen adsorption as well as to improve its kinetics. It was observed that hydrogen adsorption is not in quasi-state equilibrium and is modeled using kinetic rate laws.
36 MATERIALS SCIENCE↗
What Composition of High-Energy Physics Collaborations is Epistemically Optimal?
Computer simulations have recently come to the fore as a crucial tool for studying epistemic dynamics of scientific collectives. One pressing issue in big-ticket, long-term, and crowded particle physics research is the optimal organization of collaborations. This research developed a computation model of collaborations in high-energy physics and performed simulations to investigate the epistemic efficiency of groups and its dependence on the size of such groups and their composition: namely, percentages of pure, partially theoretically competent, and fully theoretically competent experimentalists. The present study reveals that in both small (100-member) and large (3000-member) groups, epistemic payoff as the measure of epistemic efficiency of collaborations is, generally, positively correlated with an increase in both the number of theoretically fully competent and pure (incompetent) experimentalists. Here, we are less certain of such conclusion in the case of the small collaborations. Although the subcommunity of experimentalists who are partially expert is not found to be immediately epistemically beneficial for collaborations, nevertheless they also crucially serve as a transitional community between the theorists and the experimentalists. Predicated on the toy model simulations, I suggest that institutions should provide measures to assist members of the latter subgroup in progressing toward developing a full theoretical expertise.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
The effect of water on thermal stresses in polymer composites
The fundamentals of the thermodynamic theory of mixtures and continuum thermochemistry are reviewed for a mixture of condensed water and polymer. A specific mixture which is mechanically elastic with temperature and water concentration gradients present is considered. An expression for the partial pressure of water in the mixture is obtained based on certain assumptions regarding the thermodynamic state of the water in the mixture. Along with a simple diffusion equation, this partial pressure expression may be used to simulate the thermostructural behavior of polymer composite materials due to water in the free volumes of the polymer. These equations are applied to a specific polymer composite material during isothermal heating conditions. The thermal stresses obtained by the application of the theory are compared to measured results to verify the accuracy of the approach.
Sullivan, Roy M.↗
Fracture of Carbon Nanotube - Amorphous Carbon Composites: Molecular Modeling
Carbon nanotubes (CNTs) are promising candidates for use as reinforcements in next generation structural composite materials because of their extremely high specific stiffness and strength. They cannot, however, be viewed as simple replacements for carbon fibers because there are key differences between these materials in areas such as handling, processing, and matrix design. It is impossible to know for certain that CNT composites will represent a significant advance over carbon fiber composites before these various factors have been optimized, which is an extremely costly and time intensive process. This work attempts to place an upper bound on CNT composite mechanical properties by performing molecular dynamics simulations on idealized model systems with a reactive forcefield that permits modeling of both elastic deformations and fracture. Amorphous carbon (AC) was chosen for the matrix material in this work because of its structural simplicity and physical compatibility with the CNT fillers. It is also much stiffer and stronger than typical engineering polymer matrices. Three different arrangements of CNTs in the simulation cell have been investigated: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. The SWNT and MWNT array systems are clearly idealizations, but the SWNT bundle system is a step closer to real systems in which individual tubes aggregate into large assemblies. The effect of chemical crosslinking on composite properties is modeled by adding bonds between the CNTs and AC. The balance between weakening the CNTs and improving fiber-matrix load transfer is explored by systematically varying the extent of crosslinking. It is, of course, impossible to capture the full range of deformation and fracture processes that occur in real materials with even the largest atomistic molecular dynamics simulations. With this limitation in mind, the simulation results reported here provide a plausible upper limit on achievable CNT composite properties and yield some insight on the influence of processing conditions on the mechanical properties of CNT composites.
Jensen, Benjamin D.↗
Best practices for first-principles simulations of epitaxial inorganic interfaces
Abstract At an interface between two materials physical properties and functionalities may be achieved, which would not exist in either material alone. Epitaxial inorganic interfaces are at the heart of semiconductor, spintronic, and quantum devices. First principles simulations based on density functional theory (DFT) can help elucidate the electronic and magnetic properties of interfaces and relate them to the structure and composition at the atomistic scale. Furthermore, DFT simulations can predict the structure and properties of candidate interfaces and guide experimental efforts in promising directions. However, DFT simulations of interfaces can be technically elaborate and computationally expensive. To help researchers embarking on such simulations, this review covers best practices for first principles simulations of epitaxial inorganic interfaces, including DFT methods, interface model construction, interface structure prediction, and analysis and visualization tools.
Physics↗
Fiber release from impacted graphite reinforced epoxy composites
Carbon fibers released from composites by aircraft fires and crashes can cause electrical shorts and consequent equipment damage. This report investigates less vigorous release mechanisms than that previously simulated by explosive burn/blast tests. When AS/3501-6 composites are impacted by various head and weight configurations of a pendulum impactor, less than 0.2 percent by weight of the original sample is released as single fibers. Other fiber release mechanisms studied were air blasts, constant airflow, torsion, flexural, and vibration of composite samples. The full significance of the low single fiber release rates found here is to be evaluated by NASA in their aircraft vulnerability studies.
Babinsky, T. C.↗
Auto-ignitive deflagration of CH4 blended DME/Air mixtures with composition stratification
Front propagation speeds from one dimensional simulations of DME/Air and DME/CH4/Air mixtures under engine relevant conditions are presented with reduced kinetics and transport. Different time scales of monochromatic inhomogeneities in DME concentration and varying DME-CH4 blending ratios are explored to understand its subsequent effect on the propagation speed as well as the ensuing transition from deflagration to spontaneous propagation. It is found that for a given timescale, the instantaneous peak propagation speed achieved by a front as well as its overall variation is significantly affected by the level of CH4 concentration in the mixture. Specifically, at relatively smaller time scales, the magnitude of variation in the instantaneous propagation speed is found to subside as the level of CH4 concentration in the mixture is increased. An opposite trend is observed at comparatively larger time scales, wherein, a rapid change in the instantaneous propagation speed is observed with an increase in the level of CH4 concentration. This study provides evidence as to how the propagation speed of a single fuel flame varies compared to a dual fuel flame under the influence of composition stratification.
Desai, Swapnil S.↗
Development of integrated screening, cultivar optimization, and verification research (DISCOVR): A coordinated research-driven approach to improve microalgal productivity, composition, and culture stability for commercially viable biofuels production
To address major knowledge gaps and barriers to the commercial development of algal biomass for biofuels and co-products, a collaborative consortium, Development of Integrated Screening, Cultivar Optimization, and Verification Research (DISCOVR), was established in 2016. Funded by the U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO), this consortium constitutes a partnership between four DOE national laboratories - Pacific Northwest National Laboratory (PNNL), Los Alamos National Laboratory (LANL), the National Renewable Energy Laboratory (NREL), and Sandia National Laboratories (SNL) - and the Arizona Center for Algae Technology and Innovation (AzCATI) at Arizona State University. To address the barriers of strain selection for achieving high seasonal productivities with a suitable composition and culture resilience, a tiered strain down-selection pipeline is implemented. At Tier I, the temperature and salinity tolerance of strains is determined in flask cultures; at Tier II, the areal biomass productivity and composition is determined in climate-simulation photobioreactors; at Tier III, the productivity and culture stability are determined in outdoor raceways. The top performing strains move forward to long-term testing at the algae testbed site at AzCATI to generate annual biomass productivity data. Concurrent to the strain down-selection in the DISCOVR pipeline, hypotheses for increasing biomass productivity, shifting biomass composition to enhance intrinsic value, and improving culture stability and resistance to pests are also tested. Techno-economic analyses are carried out to determine whether promising findings from laboratory studies or proposed modifications in outdoor pond cultivation conditions translate into reductions in the minimum biomass selling price (MBSP). Notably, in the three years following the launch of DISCOVR, annual biomass productivity has increased from 11.7 to 17.6 g m -2 day -1 , resulting in an MBSP decrease from 824 to 611 $ ton -1 .
09 BIOMASS FUELS↗
Optimal actuator placement on an active reflector using a modified simulated annealing technique
The development of a lightweight actuation system for maintaining the surface accuracy of a composite honeycomb panel using piezoelectric actuators is discussed. A modified simulated annealing technique is used to optimize the problem with both combinatorial and continuous criteria and with inequality constraints. Near optimal solutions for the location of the actuators, using combinatorial optimization, and for the required actuator forces, employing continuous optimization, are sought by means of the modified simulated annealing technique. The actuator locations are determined by first seeking a near optimum solution using the modified simulated annealing technique. The final actuator configuration consists of an arrangement wherein the piezoelectric actuators are placed along six radial lines. Numerical results showing the achievable surface correction by means of this configuration are presented.
Kuo, Chin-Po↗
INFLUENCE OF STELLAR FLARES ON THE CHEMICAL COMPOSITION OF EXOPLANETS AND SPECTRA
More than three thousand exoplanets have been detected so far, and more and more spectroscopic observations of exoplanets are performed. Future instruments ( James Webb Space Telescope ( JWST ), E-ELT, PLATO, Ariel, etc.,) are eagerly awaited, as they will be able to provide spectroscopic data with greater accuracy and sensitivity than what is currently available. This will allow more accurate conclusions to be drawn regarding the chemistry and dynamics of exoplanetary atmospheres, provided that the observational data are carefully processed. One important aspect to consider is temporal stellar atmospheric disturbances that can influence the planetary composition, and hence spectra, and potentially can lead to incorrect assumptions about the steady-state atmospheric composition of the planet. In this paper, we focus on perturbations coming from the host star in the form of flare events that significantly increase photon flux impingement on the exoplanets atmosphere. In some cases, particularly for M stars, this sudden increase may last for several hours. We aim to discover to what extent a stellar flare is able to modify the chemical composition of the planetary atmosphere and, therefore, influence the resulting spectra. We use a one-dimensional thermo-photochemical model to study the neutral atmospheric composition of two hypothetical planets located around the star AD Leo. We place the two planets at different distances from the star, which results in effective atmospheric temperatures of 412 and 1303 K. AD Leo is an active star that has already been observed during a flare. Therefore, we use the spectroscopic data from this flare event to simulate the evolution of the chemical composition of the atmospheres of the two hypothetical planets. We compute synthetic spectra to evaluate the implications for observations. The increase in the incoming photon flux affects the chemical abundances of some important species (such as H and NH{sub 3}), down to altitudes associated with an atmospheric pressure of 1 bar, which can lead to variations in planetary spectra (up to 150 ppm) if performed during transit. We find that each exoplanet has a post-flare steady-state composition that is significantly different from the pre-flare steady-state. We predict that these variations could be detectable with both current and future spectroscopic instruments, if sufficiently high signal-to-noise spectra are obtained.
79 ASTRONOMY AND ASTROPHYSICS↗
Image quality comparison between single energy and dual energy CT protocols for hepatic imaging
Purpose: Multi-detector computed tomography (MDCT) enables volumetric scans in a single breath hold and is clinically useful for hepatic imaging. For simple tasks, conventional single energy (SE) computed tomography (CT) images acquired at the optimal tube potential are known to have better quality than dual energy (DE) blended images. However, liver imaging is complex and often requires imaging of both structures containing iodinated contrast media, where atomic number differences are the primary contrast mechanism, and other structures, where density differences are the primary contrast mechanism. Hence it is conceivable that the broad spectrum used in a dual energy acquisition may be an advantage. In this work we are interested in comparing these two imaging strategies at equal-dose and more complex settings. Methods: We developed numerical anthropomorphic phantoms to mimic realistic clinical CT scans for medium size and large size patients. MDCT images based on the defined phantoms were simulated using various SE and DE protocols at pre- and post-contrast stages. For SE CT, images from 60 kVp through 140 with 10 kVp steps were considered; for DE CT, both 80/140 and 100/140 kVp scans were simulated and linearly blended at the optimal weights. To make a fair comparison, the mAs of each scan was adjusted to match the reference radiation dose (120 kVp, 200 mAs for medium size patients and 140 kVp, 400 mAs for large size patients). Contrast-to-noise ratio (CNR) of liver against other soft tissues was used to evaluate and compare the SE and DE protocols, and multiple pre- and post-contrasted liver-tissue pairs were used to define a composite CNR. To help validate the simulation results, we conducted a small clinical study. Eighty-five 120 kVp images and 81 blended 80/140 kVp images were collected and compared through both quantitative image quality analysis and an observer study. Results: In the simulation study, we found that the CNR of pre-contrast SE image mostly increased with increasing kVp while for post-contrast imaging 90 kVp or lower yielded higher CNR images, depending on the differential iodine concentration of each tissue. Similar trends were seen in DE blended CNR and those from SE protocols. In the presence of differential iodine concentration (i.e., post-contrast), the CNR curves maximize at lower kVps (80–120), with the peak shifted rightward for larger patients. The combined pre- and post-contrast composite CNR study demonstrated that an optimal SE protocol has better performance than blended DE images, and the optimal tube potential for SE scan is around 90 kVp for a medium size patients and between 90 and 120 kVp for large size patients (although low kVp imaging requires high x-ray tube power to avoid photon starvation). Also, a tin filter added to the high kVp beam is not only beneficial for material decomposition but it improves the CNR of the DE blended images as well. The dose adjusted CNR of the clinical images also showed the same trend and radiologists favored the SE scans over blended DE images. Conclusions: Our simulation showed that an optimized SE protocol produces up to 5% higher CNR for a range of clinical tasks. The clinical study also suggested 120 kVp SE scans have better image quality than blended DE images. Hence, blended DE images do not have a fundamental CNR advantage over optimized SE images.
60 APPLIED LIFE SCIENCES↗
Flexible Magnetic Polymer Composite Substrate with Ba 1.5 Sr 1.5 Z Hexaferrite Particles of VHF/Low UHF Patch Antennas for UAVs and Medical Implant Devices
Our goal is to fabricate flexible magnetic polymer composites as antenna substrates for very high frequency (VHF)/low ultra high frequency (UHF) antennas for unmanned aerial vehicles (UAVs) and medical devices. Magnetodielectric materials, which have permeability (μ) similar to permittivity (ε), have attracted great attention, because they facilitate miniaturization of microwave devices while keeping or enhancing electromagnetic characteristics. Mechanically millled Ba 1.5 Sr 1.5 Co 2 Fe 24 O 41 (Ba 1.5 Sr 1.5 Z) hexaferrite particles were used to increase permeability in the interesting frequency band. The microwave properties of Ba 1.5 Sr 1.5 Z composites were predicted and measured. Hansen’s zero-order analysis of antenna bandwidth and electromagnetic field simulation showed that the hexaferrite-based flexible composite could enhance a bandwidth and achieve the miniaturization of antennas as well. The magnetic antenna substrates can be a good solution to integrate antennas into the UAVs whose dimensions are comparable to or larger than communication wavelength.
36 MATERIALS SCIENCE↗
A simplified correlation technique for position location using earth satellites.
To derive range to a moving vehicle for surveillance and navigation purposes, the phase delays in sets of sinusoidal tones may be measured using synchronous satellites for signal relay. When the number of users is large, problems of rapid acquisition and measurement occur in multiple-access systems. This paper describes the selection and processing of an orthogonal tone set which has several useful features. The paper also presents a simulation of a simplified digital technique for the noise-free case, as well as for a composite signal buried in wideband noise. The digital simulation is also modified to include the proposed 'hard limiting' or clipping technique.
Martin, S. C.↗
Overview of Figure of Merit Analyses of Simulants and the Fit-to-Use Matrix
This slide slide presentation reviews the lunar regolith simulants and presents a comparison of the different types and their uses. Figures of Merit (FoM) algorithms have been developed to quantitatively compare the distributions in different granular materials. These algorithms have been used to compare the different lunar regolith simulants to the Apollo 16 reference material for composition and particle size distribution. The results of this comparison of the various forms of lunar regolith simulants are examined.
Schrader, Christian M.↗
Chemical Composition Analysis and Product Consistency Tests of the ORP Phase 6 Nepheline Study Glasses
In this report, Savannah River National Laboratory (SRNL) provides chemical analyses and Product Consistency Test (PCT) results for a series of simulated high-level waste (HLW) glass compositions fabricated at Pacific Northwest National Laboratory (PNNL). The results of this effort will improve the ability to predict the impacts of glass composition and nepheline crystallization on the durability of HLW glasses. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with the targeted compositions. A review of the individual glass composition measurements identified no analytical issues of concern. Minor differences between the targeted and measured concentrations of some of the baseline glass components were noted, including some high values for Fe 2 O 3 , and some low values for Al 2 O 3 , Li 2 O, Na 2 O and P 2 O 5 . The PCT Method-A was performed in triplicate on each of the quenched and canister centerline cooled (CCC) versions of the glasses to assess chemical durability. A review of the leachate analyses and standard solution data identified no issues with the analytical methods. Some of the CCC versions of the study glasses have normalized concentration for boron (NC B ) values that are higher than the Environmental Assessment glass benchmark NC B value of 16.695 g/L. For some of the study glasses, the NC B values were higher after the CCC heat treatment. The normalized concentrations for lithium and sodium (NC Li and NC Na ) followed this same trend. For many of these glasses, the changes in the normalized concentration for silicon (NC Si ) values were not congruent with the changes in NC B , NC Li , and NC Na values. It may be valuable for PNNL to perform a more complete review of the influence of composition and heat treatment on the PCT responses of the glasses described in this report to draw further conclusions, including any potential correlations with the methods used in selecting these glass compositions for study.
36 MATERIALS SCIENCE↗
High Strain Rate Response of Adhesively Bonded Fiber-Reinforced Composite Joints – A Computational Study to Guide Experimental Design
Adhesively bonded carbon fiber-reinforced epoxy composite laminates are widely used in aerospace applications. During a high energy impact event, these laminates are often subjected to high strain rate loading. However, the influence of high strain rate loading on the response of these composite joints is not well understood. Computational finite element (FE) modeling and simulations are conducted to guide the design of high strain rate experiments. Two different experimental designs based on split Hopkinson bar were numerically modeled to simulate Mode I and Mode II types loading in the composite. In addition, the computational approach adopted in this study helps in understanding the high strain rate response of adhesively bonded composite joints subjected to nominally Mode I and Mode II loading. The modeling approach consists of a ply-level 3D FE model, a progressive damage constitutive model for the composite material behavior and a cohesive tie-break contact element for interlaminar delamination.
Ravindran, Suraj↗