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Hybrid model for solidification and convection

A hybrid model for continuum phase-change problems is presented. The hybrid model accounts for flow in regions of concentrated mush, dilute mush, and single-phase liquid. Scale analysis shows that, in dilute mush, the Blake-Kozeny-Carman relation may lead to inaccuracy in the continuum formulation for certain values of the Rayleigh and Darcy numbers. The hybrid model uses arctangent switching functions to switch on the Darcy flow and variable viscosity terms depending on the local value of the fraction solid. Two-dimensional example calculations suggest that the hybrid model more accurately accounts for transport in the dilute mush region.

Oldenburg, Curtis M.↗

Submillimeter heterodyne receiver for the CSO telescope

This task is to build a cryogenically cooled 620 to 700 GHz astronomical receiver that will be used as a facility instrument at the CalTech Submillimeter Observatory (CSO) on Mauna Kea, Hawaii. The receiver will have applications as a very high resolution spectrometer to investigate spectral lines in planetary and satellite atmospheres, and comets. The receiver will also be used to make continuum measurements of planets, satellites, and asteroids. During FY88, a scale model (200 GHz) SIS mixer radiometer was built and intrgrated into a cryostat designed for use on the CSO telescope. This system will serve as a model to guide the work on the higher frequency mixer. A solid state local oscillator source that covers two bands in the 600 to 700 GHz has been developed under contract JPL and will be delivered before the end of the year. Work has continued on the SIS materials needed for the 620 to 700 GHz mixer. Test hardware has been developed which allow the 1 to 5 curves for SIS material to be easily measured.

Gulkis, S.↗

PowderSim: Lagrangian Discrete and Mesh-Free Continuum Simulation Code for Cohesive Soils

PowderSim is a calculation tool that combines a discrete-element method (DEM) module, including calibrated interparticle-interaction relationships, with a mesh-free, continuum, SPH (smoothed-particle hydrodynamics) based module that utilizes enhanced, calibrated, constitutive models capable of mimicking both large deformations and the flow behavior of regolith simulants and lunar regolith under conditions anticipated during in situ resource utilization (ISRU) operations. The major innovation introduced in PowderSim is to use a mesh-free method (SPH-based) with a calibrated and slightly modified critical-state soil mechanics constitutive model to extend the ability of the simulation tool to also address full-scale engineering systems in the continuum sense. The PowderSim software maintains the ability to address particle-scale problems, like size segregation, in selected regions with a traditional DEM module, which has improved contact physics and electrostatic interaction models.

Johnson, Scott↗

The rotation of photospheric magnetic fields: A random walk transport model

In an earlier study of solar differential rotation, we showed that the transport of magnetic flux across latitudes acts to establish quasi-stationary patterns, therby accounting for the observed rigid rotation of the large-scale photospheric field. In that paper, the effect of supergranular convection was represented by a continuum diffusion, limiting the applicability of the calculations to large spatial scales. Here we extend the model to scales comparable to that of the supergranulation itself by replacing the diffusive transport with a discrete random walk process. Rotation curves are derived by cross-correlating the simulated photospheric field maps for a variety of time lags and spatial resolutions. When the lag between maps is relatively short less than or approximately = 15 days), the midlatitude correlation functions show two distinct components: a broad feature associated with the large-scale unipolar patterns and a narrow feature originating from small magnetic structures encompossing from one to several supergranular cells. By fitting the broad component we obtain the rigid rotation profile of the patterns, whereas by fitting the narrow component, we recover the differential rate of the photospheric plasma itself. For time lags of 1 month or greater, only the broad feature associated with the long-lived patterns remains clearly identifiable in the simulations.

Wang, Y. -M.↗

Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.

Glaessgen, E. H.↗

Z-model analysis of impact cratering - An overview

The Maxwell Z-Model has been applied to two continuum mechanics computer calculations: (1) a laboratory-scale impact of an aluminum projectile into plasticene clay, and (2) a planetary-scale impact of an iron meteor into gabbroic anorthosite. The material flow in the cratering flow field may be well approximated by incompressible flow for most of the excavation stage of crater growth. The center of the flow field is located beneath, not at, the surface. Soon after energy partitioning is complete, Z can assume values less than 2.0 associated with the initial directedness of the projectile's momentum. The Z-Model parameters are time dependent during a significant portion of the crater growth time, and Z increases steadily with time from about 2.0 or slightly less at the beginning of the excavation stage to level off at values in the neighborhood of about 3.0 before the excavation stage is half-over.

Austin, M. G.↗

Overview of Ablation Modeling at NASA

The ambitious scientific payload and crew delivery goals of imminent and future NASA missions are associated with challenging and complex vehicle entries. Advanced ablative Thermal Protection System (TPS) materials will be required for such missions, and, as such, a robust ablation modeling capability is critical to assessing performance by bridging the wide gap between ground testing and entry conditions. The traditional ablation modeling toolset - continuum thermal/materials response analysis - has grown recently to include high-fidelity, multi-scale, and multi-physics techniques that provide a more complete description of the rich physics and chemistry of ablation to better drive down risks related to extreme entries. The present talk provides a snapshot of ongoing NASA activities in ablation modeling, including a review of the current technical capabilities and tools at play within the Agency, the important role academia plays in supporting technical area advancements, and how such internal and external investments intersect with upcoming missions to drive down risks.

TPS↗

Explicit 3D continuum fracture modeling with smooth particle hydrodynamics

Impact phenomena shaped our solar system. As usual for most solar system processes, the scales are far different than we can address directly in the laboratory. Impact velocities are often much higher than we can achieve, sizes are often vastly larger, and most impacts take place in an environment where the only gravitational force is the mutual pull of the impactors. The Smooth Particle Hydrodynamics (SPH) technique has been applied in the past to the simulations of giant impacts. In these simulations, the colliding objects were so massive (at least a sizeable fraction of the Earth's mass) that material strength was negligible compared to gravity. This assumption can no longer be made when the bodies are much smaller. To this end, we have developed a 3D SPH code that includes a strength model to which we have added a von Mises yielding relation for stresses beyond the Hugoniot Elastic Limit. At the lower stresses associated with brittle failure, we use a rate-dependent strength based on the nucleation of incipient flaws whose number density is given by a Weibull distribution. Following Grady and Kipp and Melosh et al., we introduce a state variable D ('damage'), 0 less than D less than 1, which expresses the local reduction in strength due to crack growth under tensile loading. Unfortunately for the hydrodynamics, Grady and Kipp's model predicts which fragments are the most probable ones and not the ones that are really formed. This means, for example, that if a given laboratory experiment is modeled, the fragment distribution obtained from the Grady-Kipp theory would be equivalent to a ensemble average over many realizations of the experiment. On the other hand, the hydrodynamics itself is explicit and evolves not an ensemble average but very specific fragments. Hence, there is a clear incompatibility with the deterministic nature of the hydrodynamics equations and the statistical approach of the Grady-Kipp dynamical fracture model. We remedy these shortcomings by making the incipient flaw distribution explicit, i.e., particles carry activation strains which are distributed at random with a probability of occurrence given by the Weibull distribution. If the local principal axis strain exceeds this limit, damage starts to grow. By growing explicit cracks together with statistical cracks (damage) at the sub-particle scale, we ensure that material strength and fragmentation is independent of model resolution. We tested our scheme by simulating laboratory impact experiments on basalt spheres.

Benz, W.↗

Integrated Modeling of Aerosol, Cloud, Precipitation and Land Processes at Satellite-Resolved Scales

With support from NASA's Modeling and Analysis Program, we have recently developed the NASA Unified-Weather Research and Forecasting model (NU-WRF). NU-WRF is an observation-driven integrated modeling system that represents aerosol, cloud, precipitation and land processes at satelliteresolved scales. "Satellite-resolved" scales (roughly 1e25 km), bridge the continuum between local (microscale), regional (mesoscale) and global (synoptic) processes. NU-WRF is a superset of the National Center for Atmospheric Research (NCAR) Advanced Research WRF (ARW) dynamical core model, achieved by fully integrating the GSFC Land Information System (LIS, already coupled to WRF), the WRF/ Chem enabled version of the Goddard Chemistry Aerosols Radiation Transport (GOCART) model, the Goddard Satellite Data Simulation Unit (G-SDSU), and custom boundary/initial condition preprocessors into a single software release, with source code available by agreement with NASA/GSFC. Full coupling between aerosol, cloud, precipitation and land processes is critical for predicting local and regional water and energy cycles.

Satellite-resolved↗

Effect of Under-Resolved Grids on High Order Methods

There has been much discussion on verification and validation processes for establishing the credibility of CFD simulations. Since the early 1990s, many of the aeronautical and mechanical engineering related reference journals mandated that any accepted articles in numerical simulations (without known solutions to compared with) need to perform a minimum of one level of grid refinement and time step reduction. Due to the difficulty in analysis, the effect of under-resolved grids and the nonlinear behavior of available spatial discretizations, are scarcely discussed in the literature. Here, an under-resolved numerical simulation is one where the grid spacing being used is too coarse to resolve the smallest physically relevant scales of the chosen continuum governing equations that are of interest to the numerical modeler. With the advent of new developments in fourth-order or higher spatial schemes, it has become common to regard high order schemes as more accurate, reliable and require less grid points. The danger comes when one tries to perform computations with the coarsest grid possible while still hoping to maintain numerical results sufficiently accurate for complex flows, and especially, data-limited problems. On one hand, high order methods when applies to highly coupled multidimensional complex nonlinear problems might have different stability, convergence and reliability behavior than their well studied low order counterparts, especially for nonlinear schemes such as TVD, MUSCL with limiters, ENO, WENO and discrete Galerkin. On the other hand, high order methods involve more operation counts and systematic grid convergence study can be time consuming and prohibitively expansive. At the same time it is difficult to fully understand or categorize the different nonlinear behavior of finite discretizations, especially at the limits of under-resolution when different types of bifurcation phenomena might occur, depending on the combination of grid spacings, time steps, initial conditions and numerical treatments of boundary conditions.

Yee, H. C.↗

A Model for Predicting Thermoelectric Properties of Bi2Te3

A parameterized orthogonal tight-binding mathematical model of the quantum electronic structure of the bismuth telluride molecule has been devised for use in conjunction with a semiclassical transport model in predicting the thermoelectric properties of doped bismuth telluride. This model is expected to be useful in designing and analyzing Bi2Te3 thermoelectric devices, including ones that contain such nano - structures as quantum wells and wires. In addition, the understanding gained in the use of this model can be expected to lead to the development of better models that could be useful for developing other thermoelectric materials and devices having enhanced thermoelectric properties. Bi2Te3 is one of the best bulk thermoelectric materials and is widely used in commercial thermoelectric devices. Most prior theoretical studies of the thermoelectric properties of Bi2Te3 have involved either continuum models or ab-initio models. Continuum models are computationally very efficient, but do not account for atomic-level effects. Ab-initio models are atomistic by definition, but do not scale well in that computation times increase excessively with increasing numbers of atoms. The present tight-binding model bridges the gap between the well-scalable but non-atomistic continuum models and the atomistic but poorly scalable ab-initio models: The present tight-binding model is atomistic, yet also computationally efficient because of the reduced (relative to an ab-initio model) number of basis orbitals and flexible parameterization of the Hamiltonian.

Lee, Seungwon↗

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

Frankland, Sarah-Jane V.↗

Micromechanics Modeling of Functionally Graded Interphase Regions in Carbon Nanotube-Polymer Composites

The effective elastic properties of a unidirectional carbon fiber/epoxy lamina in which the carbon fibers are coated with single-walled carbon nanotubes are modeled herein through the use of a multi-scale method involving the molecular dynamics/equivalent continuum and micromechanics methods. The specific lamina representative volume element studied consists of a carbon fiber surrounded by a region of epoxy containing a radially varying concentration of carbon nanotubes which is then embedded in the pure epoxy matrix. The variable concentration of carbon nanotubes surrounding the carbon fiber results in a functionally graded interphase region as the properties of the interphase region vary according to the carbon nanotube volume fraction. Molecular dynamics and equivalent continuum methods are used to assess the local effective properties of the carbon nanotube/epoxy comprising the interphase region. Micromechanics in the form of the Mori-Tanaka method are then applied to obtain the global effective properties of the graded interphase region wherein the carbon nanotubes are randomly oriented. Finally, the multi-layer composite cylinders micromechanics approach is used to obtain the effective lamina properties from the lamina representative volume element. It was found that even very small quantities of carbon nanotubes (0.36% of lamina by volume) coating the surface of the carbon fibers in the lamina can have a significant effect (8% increase) on the transverse properties of the lamina (E22, k23, G23 and G12) with almost no affect on the lamina properties in the fiber direction (E11 and v12).

Seidel, Gary D.↗

Observational Definition of Future AGN Echo-Mapping Experiments

We describe numerical simulations we have begun in order to determine the observational requirements for future echo-apping experiments. We focus on two particular problems: (1) determination of the structure and kinematics of the broad-line region through emission- line reverberation mapping, and (2) detection of interband continuum lags that may be used as a probe of the continuum source, presumably a temperature-stratified accretion disk. Our preliminary results suggest the broad-line region can be reverberation-mapped to good precision with spectra of signal-to-noise ratio per pixel S/N approx. = 30, time resolution (Delta)t approx. = 0.1 day, and duration of about 60 days (which is a factor of three larger than the longest time scale in the input models); data that meet these requirements do not yet exist. We also find that interband continuum lags of approx. greater than 0.5 days can be detected at approx. greater than 95% confidence with at least daily observations for about 6 weeks, or rather more easily and definitively with shorter programs undertaken with satellite-based observatories. The results of these simulations show that significant steps forward in multiwavelength monitoring will almost certainly require dedicated facilities.

Collier, Stefan↗

Time-resolved spectrophotometry of the emission lines in the galactic X-ray source H2252-035

The galactic X-ray source H2252-035 has been the object of a concentrated observational effort, since Griffiths et al. (1980) have identified it with a cataclysmic variable-like spectrum. Since the observed 859 s periodicity corresponds to the beat frequency between the X-ray and orbital periods, it has been interpreted as related to a reprocessing of the X-ray flux into optical emission in some region of the system which is rotating with the orbital period and heated by beamed X-ray emission from the compact star. In connection with the present investigation, H2252-035 has been observed with a 120 inch (3 m) telescope and image dissector scanner on 1980 September 9/10 and on 1981 September 20/21. At a time resolution of approximately 2 minutes, four bright emission lines showed short time-scale flickering and a pronounced orbital period variation in phase with the continuum modulation. A two-component model for the line emission region is proposed.

Clarke, J. T.↗

Remote Sensing of Dissolved Organic Carbon (DOC) Stocks, Fluxes and Transformations Along the Land-Ocean Aquatic Continuum: Advances, Challenges, and Opportunities

From stream headwaters to the deep ocean, dissolved organic carbon (DOC) is ubiquitous across the world’s aquatic systems, where it fulfills important biogeochemical and ecological functions. Importantly, DOC is a dynamic component of the carbon cycle and represents a global reservoir (mass of carbon) equivalent in size to the atmospheric CO 2 pool. The mobilization, transport, and transformations of DOC along the land-ocean aquatic continuum biogeochemically connect terrestrial landscapes, freshwater and marine ecosystems, and the atmosphere. As a result, DOC budgets are vulnerable to climate- and human-driven changes. Having the ability to quantify DOC stocks, fluxes, and transformations consistently and accurately in aquatic systems is therefore critical to our understanding of DOC’s functions in the environment and of their susceptibility to change. In recent years, optical techniques and synoptic earth observations have opened new doors to achieve this objective on a global scale. In this review, we explore how in situ measurements, earth observations, and the models they inform have facilitated the large-scale quantification of DOC stocks, fluxes, and transformations along the land-ocean aquatic continuum and how they have helped shape our current understanding of the global DOC cycle. The review also explores the limitations and challenges we still face today, and discusses how upcoming and future sensors are expected to provide new insights into our understanding of the global DOC cycle.

Dissolved organic carbon↗

Precision Fe K-Alpha and Fe K-Beta Line Spectroscopy of the Seyfert 1.9 Galaxy NGC 2992 with Suzaku

We present detailed time-averaged X-ray spectroscopy in the 0.5-10 keV band of the Seyfert 1.9 galaxy NGC 2992 with the Suzaku X-ray Imaging Spectrometers (XIS). The source had a factor approximately 3 higher 2-10 keV flux (approximately 1.2 x l0(exp -11) erg per square cm per s) than the historical minimum and a factor approximately 7 less than the historical maximum. The XIS spectrum of NGC 2992 can be described by several components. There is a primary continuum, modeled as a power-law with a photon index of Gamma = 1.57(sup +0.06) (sup -0.03) that is obscured by a Compton-thin absorber with a column density of 8.01(sup +0.6) (sup -0.5)x l0 (exp 21) per square cm. . There is another, weaker, unabsorbed power-law component (modeled with the same slope as the primary), that is likely to be due to the primary continuum being electron-scattered into our line-of-sight by a region extended on a scale of hundreds of parsecs. We measure the Thomson depth of the scattering zone to be Tau = 0.072 +/- 0.021. An optically-thin thermal continuum emission component, which probably originates in the same extended region, is included in the model and yields a temperature and luminosity of KT = 0.656(sup +0.088) (sup -0.0.61) keV and approximately 1.2 +/- 0.4 x l0 (exp 40) erg per s respectively. We detect an Fe K emission complex which we model with broad and narrow lines and we show that the intensities of the two components are decoupled at a confidence level > 3 sigma. The broad Fe K alpha line has an equivalent width of 118(sup +32) (sup -61) eV and could originate in an accretion disk (with inclination angle greater than approximately 30 deg) around the putative central black hole. The narrow Fe K alpha line has an equivalent width of 1632(sup +47) (sup -26) eV and is unresolved (FWHM < 4630 km per s) and likely originates in distant matter. The absolute flux in the narrow line implies that the column density out of the line-of-sight could be much higher than measured in the line-of-sight, and that the mean (historically-averaged) continuum luminosity responsible for forming the line could be a factor of several higher than that measured from the data. We also detect the Fe K Beta line (corresponding to the narrow Fe K alpha line) with a high signal-to-noise ratio and describe a new robust method to constrain the ionization state of Fe responsible for the Fe K alpha and Fe K Beta lines that does not require any knowledge of possible gravitational and Doppler energy shifts affecting the line energies. For the distant line-emitting matter (e. g. the putative obscuring torus) we deduce that the predominant ionization state is lower than Fe VIII (at 99% confidence), conservatively taking into account residual calibration uncertainties in the XIS energy scale and theoretical and experimental uncertainties in the Fe K fluorescent line energies. From the limits on a possible Compton-reflection continuum it is likely that the narrow Fe K alpha and Fe K Beta lines originate in a Compton-thin structure.

Yaqoob, Tahir↗

Modeling global structural damping in trusses using simple continuum models

Truss beams with members having viscous damping are modeled as continuum Timoshenko beams. Procedures for deriving the equivalent beam stiffnesses and damping are presented. The global damping for the continuum beam is explicitly expressed in terms of the damping coefficients of the individual truss members. The continuum beam model is used to study transient vibration problems and the solutions are compared well with the full scale finite element solutions. The gradient method is used for parameter estimations in conjunction with the Timoshenko beam model. It is shown that the Timoshenko beam model can be easily updated with measured data and the updated model can yield very accurate transient solutions.

Sun, C. T.↗