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DOE OSTI2018

Ageless Aluminum-Cerium-Based Alloys in High-Volume Die Casting for Improved Energy Efficiency

Strong chemical reactions between Al and Ce lead to the formation of intermetallics with exceptional thermal stability. The rapid formation of intermetallics directly from the liquid phase during solidification of Al-Ce alloys leads to an ultrafine microconstituent structure that effectively strengthens as-cast alloys without further microstructural optimization via thermal processing. Die casting is a high-volume manufacturing technology that accounts for greater than 40% of all cast Al products, whereas Ce is highly overproduced as a waste product of other rare earth element (REE) mining. Reducing heat treatments would stimulate significant improvements in manufacturing energy efficiency, exceeding (megatonnes/year) per large-scale heat-treatment line. In this study, multiple compositions were evaluated with wedge mold castings to test the sensitivity of alloys to the variable solidification rate inherent in high-pressure die casting. Once a suitable composition was determined, it was successfully demonstrated at 800 lbs/h in a 600-ton die caster, after which the as-die cast parts performed similarly to ubiquitous A380 in the same geometry without requiring heat treatment. Furthermore, this work demonstrates the compatibility of Al REE alloys with high-volume die-casting applications with minimal heat treatments.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hyperbolic Reformulation Approach to Enable Efficient Simulation of Groundwater Flow and Reactive Transport

We apply Cattaneo's relaxation approach to the one-dimensional coupled Boussinesq groundwater flow and advection-diffusion-reaction equations, commonly used in engineering applications to simulate contaminant transport in the subsurface. The diffusion-type governing equations are reformulated as a hyperbolic system, augmented by an equation that can be interpreted as a momentum balance. The hyperbolization enables an efficient unified computation of the primary variable and its gradients, for example piezometric head and unit discharge in the Boussinesq equation. An augmented Roe scheme is used to solve the hyperbolic system. The hyperbolized system of equations is studied in a set of steady state and transient test cases with idealized geometry. These test cases confirm the equivalence of the hyperbolic system to its original formulation. The larger time step size of the hyperbolic equation is verified theoretically by means of a stability analysis and numerically in the test cases. Finally, a reach-scale application of flow and transport across a river meander is considered. This application case shows that the performance of the hyperbolic relaxation approach holds for more realistic groundwater flow and transport problems, relevant to water resources management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Global MHD Simulations of Accretion Disks in Cataclysmic Variables (CVs). II. The Relative Importance of MRI and Spiral Shocks

We perform global three-dimensional MHD simulations of unstratified accretion disks in cataclysmic variables (CVs). By including mass inflow via an accretion stream, we are able to evolve the disk to a steady state. We investigate the relative importance of spiral shocks and the magnetorotational instability (MRI) in driving angular momentum transport and how each depend on the geometry and strength of the seed magnetic field and the Mach number of the disk (where Mach number is the ratio of the azimuthal velocity and the sound speed of gas). We use a locally isothermal equation of state and adopt temperature profiles that are consistent with CV disk observations. Our results indicate that the relative importance of spiral shocks and MRI in driving angular momentum transport is controlled by the gas Mach number and the seed magnetic field strength. MRI and spiral shocks provide comparable efficiency of angular momentum transport when the disk Mach number is around 10 and the seed magnetic field has plasma β=400 (where β is the ratio of gas pressure and magnetic pressure). The MRI dominates whenever the seed field strength, or the disk Mach number, is increased. Among all of our simulations, the effective viscosity parameter α{sub eff}∼0.016--0.1 after MRI saturates and the disk reaches steady state. Larger values of α{sub eff} are favored when the seed magnetic field has vertical components or the flow has stronger magnetization (1/β). Our models all indicate that the role of MRI in driving angular momentum transport thus mass accretion in CV disks is indispensable, especially in cool disks with weak spiral shocks.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1998

Detection of Polar Stratospheric Clouds Using AVHRR Imagery

In recent years, the role of PSCs in the ozone depletion process has become better understood. PSCs provide the surfaces upon which heterogeneous reactions take place that affect the gas phase partitioning between active and reservoir chlorine and nitrogen species. Present methods of PSC detection include in situ measurements by lidar and various satellite-borne instruments such as the Stratospheric Aerosol Measurement II (SAM II) on the Nimbus 7 spacecraft, which produced PSC measurements from 1978 to 1994 and several instruments onboard the Upper Atmospheric Research Satellite (UARS) such as the Cryogenic Limb Array Etalon Spectrometer (CLAES) which provided measurements for 1991-1993. All of the PSC-detection methods devised so far have been hampered by incomplete sampling of the places and times in which PSCs are likely to form. There is a need to understand the climatology of PSCS, in particular the timing of their onset and duration, their vertical distribution, geographic extent, annual variability and responses to volcanic aerosol forcing. Poole and Pitts [1994] assembled a PSC climatology based on SAM II data, but this climatology is incomplete, as it is limited to the edge of the polar night due to the limitations of the solar occultation scan geometry. The Advanced Very High Resolution Radiometer (AVHRR) five- channel sensors onboard the NOAA polar-orbiting satellites have been collecting data over the polar regions continuously since 1979. These operational satellites provide unmatched coverage in space and time of both polar regions, but were not designed for the detection of optically-thin PSCS. However, the AVHRR data archive would be an invaluable source for the construction of a long-term climatology of PSCs if techniques can be developed and tested to detect PSCs in AVHRR data. In the last few years, the members of our group at San Francisco State University and NASA Ames Research Center have been engaged in the development of various PSC detection methods using AVHRR data. There is strong evidence that a subset of PSCS, those that are optically thick, can be readily identified in the AVHRR data set. Our group has also made significant progress in the identification of optically thinner PSCs using a variety of techniques.

Garcia, Oswaldo↗

NASA NTRS1998

Estimation of 3-D Cloud Effects on TOMS Satellite Retrieval of Surface UV Irradiance

To improve surface UV irradiance retrieval from the Total Ozone Mapping Spectrometer (TOMS) we simulate errors of the TOMS cloud correction algorithm for summertime broken cloud conditions. Cloud scenes (50 km by 50 km) are modeled by a normal random (Gaussian) field with a fixed lower boundary and conservative scattering. The model relates stochastic field characteristics with the cloud amount, mean cloud diameter and aspect ratio. Clouds are embedded into Rayleigh atmosphere with standard ozone profile. Radiative transfer calculations of the radiance at the top of the atmosphere and irradiance at the surface were performed using 3-D Monte Carlo (MC) code. The results are averaged over the satellite field of view on the surface (50 km by 50 km) and compared with TOMS predicted surface irradiance for the same scene reflectance. The TOMS algorithm assumes horizontally homogeneous Cl-type cloud between 3 km and 5.5 km. The effective optical depth is determined by fitting observed (MC) radiance at 380 nm. Having the same radiance at the satellite the homogeneous and broken cloud models predict different average irradiances at the surface. This is due to the differences in Bidirectional Reflection Distribution Function (BRDF) for homogeneous and broken cloud scenes with the same hemispherical albedo. For typical TOMS observational geometry at mid-latitudes the simulated single pixels errors may be as large as +/- 20%. Qualitatively these errors are due to the dominance of the non-horizontal cloud surfaces, which are not accounted for in the homogeneous cloud model. However, due to high variability of the real cloud shapes and types it is unclear how these single pixel errors would affect TOMS time-integrated UV exposure over extended periods (weeks to months) for different regions.

Krotkov, Nickolay A.↗

NASA NTRS2001

Flying the TRMM Satellite in a GCM

By incorporating the Tropical Rainfall Measurement Mission (TRMM) satellite orbital information into the Colorado State University General Circulation Model (CSU GCM), we are able to 'fly' a satellite in the GCM, and sample the simulated atmosphere in the same way as the TRMM sensors sample the real atmosphere. The TRMM-sampled statistics for precipitation and radiative fluxes at annual, intraseasonal, monthly-mean and seasonal-mean diurnal time scales are evaluated by comparing the satellite-sampled against fully-sampled simulated atmospheres. The sampling rates of the TRMM sensors are significantly affected by the sensors' swath widths. The TRMM Microwave Imager (TMI) and the Visible Infrared Scanner (VIRS) sample each 2.25 x 2.25 degree grid box in the Tropics and subtropics about once per day, but at a different local time every day, while the Precipitation Radar (PR) and the Clouds and the Earth's Radiant Energy System (CERES) sensor visit each grid box about once every three days and twice per day, respectively. Besides inadequate samplings resulting from sensors' swath widths, there is a large, systematic diurnal undersampling associated with TRMM's orbital geometry for grid boxes away from the Equator. When only one month of TRMM data are used, this diurnal undersampling can lead to more daytime samples relative to nighttime samples in one hemisphere, and more nighttime samples relative to daytime samples in the other hemisphere. The resulting sampling biases (3-6 W m(exp-2)) are very pronounced in outgoing longwave radiation (OLR) over the subtropical land masses. The sampling errors in OLR monthly- and seasonal-means are less than 8 W m(exp-2) (5%) for each 2.25 x 2.25 degree grid box. The OLR monthly- and seasonal-means are not sensitive to diurnal undersamplings associated with the TRMM orbits and sensors' swath widths. However, this is not the case for total precipitation. Diurnal undersampling could produce errors as large as 20% in the Tropics and 40% in the subtropics, for the zonally averaged monthly-mean rain rates. The TRMM orbits sample each 2.25 x 2.25 degree grid box in the Tropics and subtropics 1-6 times for each hour of the day within a single season. The seasonal-mean diurnal cycles of precipitation and OLR are not well sampled for any one grid box. By either accumulating the satellite data for a long enough period, or averaging the data over a large area with a relatively uniform diurnal signal, the diurnal cycles of precipitation and OLR can be satisfactorily sampled. The effects TRMM sampling errors on the inferred tropical-mean hydrologic cycle and radiative fluxes are also evaluated. There are strong spurious oscillations associated with TRMM's orbital geometry, with periods of 23 days and 3-4 months, in tropical-mean daily and monthly precipitation. While the relative fluctuations of the sampled-OLR are negligible, the relative fluctuations of the sampled precipitation have magnitudes similar to those of the observed climate variability. Caution must therefore be used when applying TRMM observations of tropical-mean precipitation to interpret climate variations at intraseasonal and interannual scales.

Lin, Xin↗

NASA NTRS2013

Extraction and Separation Modeling of Orion Test Vehicles with ADAMS Simulation

The Capsule Parachute Assembly System (CPAS) project has increased efforts to demonstrate the performance of fully integrated parachute systems at both higher dynamic pressures and in the presence of wake fields using a Parachute Compartment Drop Test Vehicle (PCDTV) and a Parachute Test Vehicle (PTV), respectively. Modeling the extraction and separation events has proven challenging and an understanding of the physics is required to reduce the risk of separation malfunctions. The need for extraction and separation modeling is critical to a successful CPAS test campaign. Current PTV-alone simulations, such as Decelerator System Simulation (DSS), require accurate initial conditions (ICs) drawn from a separation model. Automatic Dynamic Analysis of Mechanical Systems (ADAMS), a Commercial off the Shelf (COTS) tool, was employed to provide insight into the multi-body six degree of freedom (DOF) interaction between parachute test hardware and external and internal forces. Components of the model include a composite extraction parachute, primary vehicle (PTV or PCDTV), platform cradle, a release mechanism, aircraft ramp, and a programmer parachute with attach points. Independent aerodynamic forces were applied to the mated test vehicle/platform cradle and the separated test vehicle and platform cradle. The aero coefficients were determined from real time lookup tables which were functions of both angle of attack ( ) and sideslip ( ). The atmospheric properties were also determined from a real time lookup table characteristic of the Yuma Proving Grounds (YPG) atmosphere relative to the planned test month. Representative geometries were constructed in ADAMS with measured mass properties generated for each independent vehicle. Derived smart separation parameters were included in ADAMS as sensors with defined pitch and pitch rate criteria used to refine inputs to analogous avionics systems for optimal separation conditions. Key design variables were dispersed in a Monte Carlo analysis to provide the maximum expected range of the state variables at programmer deployment to be used as ICs in DSS. Extensive comparisons were made with Decelerator System Simulation Application (DSSA) to validate the mated portion of the ADAMS extraction trajectory. Results of the comparisons improved the fidelity of ADAMS with a ramp pitch profile update from DSSA. Post-test reconstructions resulted in improvements to extraction parachute drag area knock-down factors, extraction line modeling, and the inclusion of ball-to-socket attachments used as a release mechanism on the PTV. Modeling of two Extraction parachutes was based on United States Air Force (USAF) tow test data and integrated into ADAMS for nominal and Monte Carlo trajectory assessments. Video overlay of ADAMS animations and actual C-12 chase plane test videos supported analysis and observation efforts of extraction and separation events. The COTS ADAMS simulation has been integrated with NASA based simulations to provide complete end to end trajectories with a focus on the extraction, separation, and programmer deployment sequence. The flexibility of modifying ADAMS inputs has proven useful for sensitivity studies and extraction/separation modeling efforts. 1

Fraire, Usbaldo, Jr.↗

DOE OSTI2017

Understanding Electron Transport in Disk-Shaped Triphenylene-Tris(naphthaleneimidazole)s through Structural Modification and Theoretical Investigation

We report that disk-shaped molecules with large aromatic π-surfaces are a class of organic semiconductors in which the charge-carrier transport properties could be greatly facilitated by preferred intermolecular stacking of the π-surfaces. The optical and electronic properties are not only determined by the core aromatic structure of these disk-shaped molecules but are also strongly dependent on the side chains, which directly impact the molecular self-assembly behavior in condensed phases. Triphenylene-tris(naphthaleneimidazole) (TP-TNI) is a recently reported n-type semiconductor featuring a large π-core and branched side chains, with an electron-transporting mobility reaching 10 -4 cm 2 V -1 s -1 . To further improve material performance, a detailed study is needed to understand the dependence of carrier transport properties on both the core electronic structure and side chain. Here, we present the detailed synthesis and characterization of a TP-TNI derivative bearing linear side chains, which has demonstrated a field-effect electron-transport mobility of up to 1.3 × 10 -3 cm 2 V -1 s -1 . The more than 1 order improvement in electron-transport properties over the branched side chain homologue can be correlated to ordered twisted packing in the thin film, as revealed by in situ variable temperature grazing incidence wide-angle X-ray scattering studies. In conclusion, in-depth theoretical understanding of the frontier orbitals, reorganization energies, and charge-transfer integrals of TP-TNI molecules has provided further insight into the relationship between the molecular stacking geometry and charge-transport properties.

36 MATERIALS SCIENCE↗

NASA NTRS1976

OTW noise correlation for variations in nozzle/wing geometry with 5:1 slot nozzles

Acoustic data obtained from a model-scale study with 5:1 slot nozzles are analyzed and correlated in terms of apparent noise sources. Variations in nozzle geometry include roof angle and sidewall cutback. In addition, geometry variations in wing size and flap deflection are included. Three dominant noise sources were evident in the data and correlated: fluctuating lift noise, trailing edge noise and a redirected jet mixing noise that included the effect of reflection of jet noise by the surface. Pertinent variables in the correlations include the shear layer thickness and peak jet flow velocity at the trailing edge.

Vonglahn, U.↗

NASA NTRS1976

OTW noise correlation for variations in nozzle/wing geometry with 5:1 slot nozzles

Acoustic data obtained from a model-scale study with 5:1 slot nozzles are analyzed and correlated in terms of apparent noise sources. Variations in nozzle geometry include roof angle and sidewall cutback. In addition, geometry variations in wing size and flap deflection were included. Three dominant noise sources were evident in the data and correlated: fluctuating lift noise, trailing edge noise and a redirected jet mixing noise that included the effect of reflection of jet noise by the surface. Pertinent variables in the correlations included the shear layer thickness and peak jet flow velocity at the trailing edge.

Von Glahn, U.↗

NASA NTRS1977

Simulation model of erosion and deposition on a barchan dune

Erosion and deposition over a barchan dune near the Salton Sea, California, are modeled by bookkeeping the quantity of sand in saltation following streamlines of transport. Field observations of near surface wind velocity and direction plus supplemental measurements of the velocity distribution over a scale model of the dune are combined as input to Bagnold type sand transport formulas corrected for slope effects. A unidirectional wind is assumed. The resulting patterns of erosion and deposition compare closely with those observed in the field and those predicted by the assumption of equilibrium (downwind translation of the dune without change in size or geometry). Discrepancies between the simulated results and the observed or predicted erosional patterns appear to be largely due to natural fluctuations in the wind direction. The shape of barchan dunes is a function of grain size, velocity, degree of saturation of the oncoming flow, and the variability in the direction of the oncoming wind. The size of the barchans may be controlled by natural atmospheric scales, by the age of the dunes, or by the upwind roughness. The upwind roughness can be controlled by fixed elements or by sand in the saltation. In the latter case, dune scale is determined by grain size and wind velocity.

Howard, A. D.↗

NASA NTRS2005

A Spreadsheet for the Mixing of a Row of Jets with a Confined Crossflow

An interactive computer code, written with a readily available software program, Microsoft Excel (Microsoft Corporation, Redmond, WA) is presented which displays 3 D oblique plots of a conserved scalar distribution downstream of jets mixing with a confined crossflow, for a single row, double rows, or opposed rows of jets with or without flow area convergence and/or a non-uniform crossflow scalar distribution. This project used a previously developed empirical model of jets mixing in a confined crossflow to create an Microsoft Excel spreadsheet that can output the profiles of a conserved scalar for jets injected into a confined crossflow given several input variables. The program uses multiple spreadsheets in a single Microsoft Excel notebook to carry out the modeling. The first sheet contains the main program, controls for the type of problem to be solved, and convergence criteria. The first sheet also provides for input of the specific geometry and flow conditions. The second sheet presents the results calculated with this routine to show the effects on the mixing of varying flow and geometric parameters. Comparisons are also made between results from the version of the empirical correlations implemented in the spreadsheet and the versions originally written in Applesoft BASIC (Apple Computer, Cupertino, CA) in the 1980's.

J D Holderman↗

NASA NTRS2005

Effect of Operating Frequency on PDE Driven Ejector Thrust Performance

Results of an on-going study of pulse detonation engine driven ejectors are presented and discussed. The experiments were conducted using a pulse detonation engine (PDE) designed to operate at frequencies up to 50 Hz. The PDE used in these experiments utilizes an equi-molar mixture of oxygen and nitrogen as the oxidizer, and ethylene (C2H4) as the fuel, with the propellant mixture having an equivalence ratio of one. A line of sight laser absorption technique was used to determine the time needed for proper filling of the tube. Thrust measurements were made using an integrated spring damper system coupled with a linear variable displacement transducer. The baseline thrust of the PDE was first measured at each desired frequency and agrees with experimental and modeling results found in the literature. Thrust augmentation measurements were then made for constant diameter ejectors. The ejectors had varying lengths, and two different inlet geometries were tested for each ejector configuration. The parameter space for the study included PDE operation frequency, ejector length, overlap distance and the radius of curvature for the ejector inlets. For the studied experimental matrix, the results showed a maximum thrust augmentation of 106% at an operational frequency of 30 Hz.

Santoro, Robert J.↗

NASA NTRS2005

A Spreadsheet for the Mixing of a Row of Jets with a Confined Crossflow

J D Holderman↗

NASA NTRS2017

A Long Look at MCG-5-23-16 with NuSTAR. I. Relativistic Reflection and Coronal Properties

MCG-5-23-16 was targeted in early 2015 with a half mega-second observing campaign using NuSTAR. Here we present the spectral analysis of these data sets along with an earlier observation and study the relativistic reflection and the primary coronal source. The data show strong reflection features in the form of both narrow and broad iron lines plus a Compton reflection hump. A cutoff energy is significantly detected in all exposures. The shape of the reflection spectrum does not change in the two years spanned by the observations, suggesting a stable geometry. A strong positive correlation is found between the cutoff energy and both the hard X-ray flux and spectral index. The measurements imply that the coronal plasma is not at the runaway electron-positron pair limit, and instead contains mostly electrons. The observed variability in the coronal properties is driven by a variable optical depth. A constant heating-to-cooling ratio is measured, implying that there is a feedback mechanism in which a significant fraction of the photons cooling the corona are due to reprocessed hard X-rays.

black hole physics â€“ galaxies: active â€“ galaxi↗

NASA NTRS2018

Bistable Collapsible Tubular Mast Booms

A promising candidate for deployable composite structures is the two-shelled Collapsible Tubular Mast (CTM) boom, which is to be employed on future solar sail and interplanetary small satellite platforms by the National Aeronautics and Space Administration (NASA). This is due to its two omega-shaped shells forming a closed-section which yields large stiffnesses that allowed for high dimensional stability. An inextensional analytical model describing the bending deformation mechanics of CTM booms was used to determine how design variables induce bistability, or the existence of two strain energy wells. Bistable booms were favorable due to low strain energy requirements for the coiled state and had more controllable deployment when compared to monostable booms. The effects of varying lamina material, laminate layup, and shell arc geometries between different inner and outer shell segments on the second strain energy well and stiffness properties were determined for cross-sections formed by circular segments. The full design space for two-shelled composite CTM booms was explored to evaluate the validity of the simple analytical model developed. Optimal CTM boom designs were manufactured and experimentally characterized for comparisons against model results. The model under-predicted the second stable coiled diameter of the complete two-shelled booms by 27-33% and as low as 3-8% for the individual shells wrapped alone.

Fernandez, Juan M.↗

DOE OSTI2021

Non-perturbative geometries for planar $ \mathcal{N} $ = 4 SYM amplitudes

There is a remarkable well-known connection between the G(4, n) cluster algebra and n-particle amplitudes in $ \mathcal{N} $ = 4 SYM theory. For n ≥ 8 two long-standing open questions have been to find a mathematically natural way to identify a finite list of amplitude symbol letters from among the infinitely many cluster variables, and to find an explanation for certain algebraic functions, such as the square roots of four-mass-box type, that are expected to appear in symbols but are not cluster variables. In this letter we use the notion of “stringy canonical forms” to construct polytopal realizations of certain compactifications of (the positive part of) the configuration space Conf n (P k–1 ) ≅ G(k, n)/T that are manifestly finite for all k and n. Some facets of these polytopes are naturally associated to cluster variables, while others are naturally associated to algebraic functions constructed from Lusztig’s canonical basis. For (k, n) = (4, 8) the latter include precisely the expected square roots, revealing them to be related to certain “overpositive” functions of the kinematical invariants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Controlled catalyst-transfer polymerization in graphene nanoribbon synthesis

Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) is intimately linked to geometric boundary conditions imposed by the structure of the ribbon. Besides composition and position of substitutional dopant atoms, the symmetry of the unit cell, width, length, and termination of a GNR govern its electronic structure. Here, we present a rational design that integrates each of these interdependent variables within a modular bottom-up synthesis. Our hybrid chemical approach relies on a catalyst-transfer polymerization that establishes excellent control over length, width, and end groups. Complemented by a surface-assisted cyclodehydrogenation step, uniquely enabled by matrix-assisted direct (MAD) transfer protocols, geometry and functional handles encoded in a polymer template are faithfully mapped onto the structure of the corresponding GNR. Bond-resolved scanning tunneling microscopy (BRSTM) and spectroscopy (STS) validate the robust correlation between polymer template design and GNR electronic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗