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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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At least 1,063 records · Page 59

Assessing Critical Conditions for Scour Near Obstructions using Bed Shear, Particle Onset of Motion Balances, and CFD-DEM Modeling of Granular Beds

Computational Fluid Dynamics combined with a Discrete Element Method is one of the computational methods that can be used to model multiphase flows. In this method various phases, gas and liquid or solid, are present in the same computational domain. The local averaged Navier–Stokes equations determine the flow of the continuous phase fluid and are solved using the traditional CFD finite volume approach. DEM is based on a Lagrangian formulation, which solves the equations of motion, expressed in ordinary differential equations, for representative particles as they move in space and time. The interactions between the continuous fluid phase and discrete solid phase are modeled with the use of Newton’s laws of motion via drag force. The particles interact with each other and with the boundaries of the fluid continuum, and the resulting contact forces are included in the equations of motion. The properties of solid particles and boundaries are treated as elastic bodies, with specified density, elastic modulus, and Poisson’s ratio. Particle shapes may vary from single spherical particles to more complex-shaped composite particles. The particles may be introduced into the domain by random or structured injection at a point, surface, or volume, depending on the application. More details on the formulation can be found in the Simcenter STAR-CCM+ User’s Manual and OpenFOAM website.

97 MATHEMATICS AND COMPUTING↗

Conservative Grid-Interface Algorithm For Computing Flows

Best features of structured- and unstructured-grid methods combined. Gaps and overlaps between zonal grids eliminated by grid-interface algorithm, which generates single interfacial grid and corrects fluxes of flow quantities accordingly. Incorporated into two three-dimensional Navier-Stokes finite-volume codes and tested in computations of incompressible and compressible flows about simple bodies. Good numerical results obtained. General enough to be incorporated into other finite-volume codes without restrictions on complexities of shapes of bodies and zonal interfaces.

Klopfer, G. H.↗

Investigation of Navier-Stokes Code Verification and Design Optimization

With rapid progress made in employing computational techniques for various complex Navier-Stokes fluid flow problems, design optimization problems traditionally based on empirical formulations and experiments are now being addressed with the aid of computational fluid dynamics (CFD). To be able to carry out an effective CFD-based optimization study, it is essential that the uncertainty and appropriate confidence limits of the CFD solutions be quantified over the chosen design space. The present dissertation investigates the issues related to code verification, surrogate model-based optimization and sensitivity evaluation. For Navier-Stokes (NS) CFD code verification a least square extrapolation (LSE) method is assessed. This method projects numerically computed NS solutions from multiple, coarser base grids onto a freer grid and improves solution accuracy by minimizing the residual of the discretized NS equations over the projected grid. In this dissertation, the finite volume (FV) formulation is focused on. The interplay between the xi concepts and the outcome of LSE, and the effects of solution gradients and singularities, nonlinear physics, and coupling of flow variables on the effectiveness of LSE are investigated. A CFD-based design optimization of a single element liquid rocket injector is conducted with surrogate models developed using response surface methodology (RSM) based on CFD solutions. The computational model consists of the NS equations, finite rate chemistry, and the k-6 turbulence closure. With the aid of these surrogate models, sensitivity and trade-off analyses are carried out for the injector design whose geometry (hydrogen flow angle, hydrogen and oxygen flow areas and oxygen post tip thickness) is optimized to attain desirable goals in performance (combustion length) and life/survivability (the maximum temperatures on the oxidizer post tip and injector face and a combustion chamber wall temperature). A preliminary multi-objective optimization study is carried out using a geometric mean approach. Following this, sensitivity analyses with the aid of variance-based non-parametric approach and partial correlation coefficients are conducted using data available from surrogate models of the objectives and the multi-objective optima to identify the contribution of the design variables to the objective variability and to analyze the variability of the design variables and the objectives. In summary the present dissertation offers insight into an improved coarse to fine grid extrapolation technique for Navier-Stokes computations and also suggests tools for a designer to conduct design optimization study and related sensitivity analyses for a given design problem.

Vaidyanathan, Rajkumar↗

Generalized Fluid System Simulation Program, Version 6.0

The Generalized Fluid System Simulation Program (GFSSP) is a general purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors, and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. Two thermodynamic property programs (GASP/WASP and GASPAK) provide required thermodynamic and thermophysical properties for 36 fluids: helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, parahydrogen, water, kerosene (RP-1), isobutene, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, R-11, R-12, R-22, R-32, R-123, R-124, R-125, R-134A, R-152A, nitrogen trifluoride, ammonia, hydrogen peroxide, and air. The program also provides the options of using any incompressible fluid with constant density and viscosity or ideal gas. The users can also supply property tables for fluids that are not in the library. Twenty-four different resistance/source options are provided for modeling momentum sources or sinks in the branches. These options include pipe flow, flow through a restriction, noncircular duct, pipe flow with entrance and/or exit losses, thin sharp orifice, thick orifice, square edge reduction, square edge expansion, rotating annular duct, rotating radial duct, labyrinth seal, parallel plates, common fittings and valves, pump characteristics, pump power, valve with a given loss coefficient, Joule-Thompson device, control valve, heat exchanger core, parallel tube, and compressible orifice. The program has the provision of including additional resistance options through User Subroutines. GFSSP employs a finite volume formulation of mass, momentum, and energy conservation equations in conjunction with the thermodynamic equations of state for real fluids as well as energy conservation equations for the solid. The system of equations describing the fluid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods. The application and verification of the code has been demonstrated through 30 example problems.

Majumdar, A. K.↗

Mapping unstructured grid computations to massively parallel computers

Investigated here is this mapping problem: assign the tasks of a parallel program to the processors of a parallel computer such that the execution time is minimized. First, a taxonomy of objective functions and heuristics used to solve the mapping problem is presented. Next, we develop a highly parallel heuristic mapping algorithm, called Cyclic Pairwise Exchange (CPE), and discuss its place in the taxonomy. CPE uses local pairwise exchanges of processor assignments to iteratively improve an initial mapping. A variety of initial mapping schemes are tested and recursive spectral bipartitioning (RSB) followed by CPE is shown to result in the best mappings. For the test cases studied here, problems arising in computational fluid dynamics and structural mechanics on unstructured triangular and tetrahedral meshes, RSB and CPE outperform methods based on simulated annealing. Much less time is required to do the mapping and the results obtained are better. Compared with random and naive mappings, RSB and CPE reduce the communication time two fold for the test problems used. Finally, we use CPE in two applications on a CM-2. The first application is a data parallel mesh-vertex upwind finite volume scheme for solving the Euler equations on 2-D triangular unstructured meshes. CPE is used to map grid points to processors. The performance of this code is compared with a similar code on a Cray-YMP and an Intel iPSC/860. The second application is parallel sparse matrix-vector multiplication used in the iterative solution of large sparse linear systems of equations. We map rows of the matrix to processors and use an inner-product based matrix-vector multiplication. We demonstrate that this method is an order of magnitude faster than methods based on scan operations for our test cases.

Hammond, Steven Warren↗

Chaotic dynamics of flexible Euler-Bernoulli beams

Mathematical modeling and analysis of spatio-temporal chaotic dynamics of flexible simple and curved Euler-Bernoulli beams are carried out. The Kármán-type geometric non-linearity is considered. Algorithms reducing partial differential equations which govern the dynamics of studied objects and associated boundary value problems are reduced to the Cauchy problem through both Finite Difference Method with the approximation of O(c{sup 2}) and Finite Element Method. The obtained Cauchy problem is solved via the fourth and sixth-order Runge-Kutta methods. Validity and reliability of the results are rigorously discussed. Analysis of the chaotic dynamics of flexible Euler-Bernoulli beams for a series of boundary conditions is carried out with the help of the qualitative theory of differential equations. We analyze time histories, phase and modal portraits, autocorrelation functions, the Poincaré and pseudo-Poincaré maps, signs of the first four Lyapunov exponents, as well as the compression factor of the phase volume of an attractor. A novel scenario of transition from periodicity to chaos is obtained, and a transition from chaos to hyper-chaos is illustrated. In particular, we study and explain the phenomenon of transition from symmetric to asymmetric vibrations. Vibration-type charts are given regarding two control parameters: amplitude q{sub 0} and frequency ω{sub p} of the uniformly distributed periodic excitation. Furthermore, we detected and illustrated how the so called temporal-space chaos is developed following the transition from regular to chaotic system dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Population of 224 realistic human subject-based computational breast phantoms

Purpose: To create a database of highly realistic and anatomically variable 3D virtual breast phantoms based on dedicated breast computed tomography (bCT) data. Methods: A tissue classification and segmentation algorithm was used to create realistic and detailed 3D computational breast phantoms based on 230 + dedicated bCT datasets from normal human subjects. The breast volume was identified using a coarse three-class fuzzy C-means segmentation algorithm which accounted for and removed motion blur at the breast periphery. Noise in the bCT data was reduced through application of a postreconstruction 3D bilateral filter. A 3D adipose nonuniformity (bias field) correction was then applied followed by glandular segmentation using a 3D bias-corrected fuzzy C-means algorithm. Multiple tissue classes were defined including skin, adipose, and several fractional glandular densities. Following segmentation, a skin mask was produced which preserved the interdigitated skin, adipose, and glandular boundaries of the skin interior. Finally, surface modeling was used to produce digital phantoms with methods complementary to the XCAT suite of digital human phantoms. Results: After rejecting some datasets due to artifacts, 224 virtual breast phantoms were created which emulate the complex breast parenchyma of actual human subjects. The volume breast density (with skin) ranged from 5.5% to 66.3% with a mean value of 25.3% ± 13.2%. Breast volumes ranged from 25.0 to 2099.6 ml with a mean value of 716.3 ± 386.5 ml. Three breast phantoms were selected for imaging with digital compression (using finite element modeling) and simple ray-tracing, and the results show promise in their potential to produce realistic simulated mammograms. Conclusions: This work provides a new population of 224 breast phantoms based on in vivo bCT data for imaging research. Compared to previous studies based on only a few prototype cases, this dataset provides a rich source of new cases spanning a wide range of breast types, volumes, densities, and parenchymal patterns.

61 RADIATION PROTECTION AND DOSIMETRY↗

The strip method for shape derivatives

Abstract A major challenge in shape optimization is the coupling of finite element method (FEM) codes in a way that facilitates efficient computation of shape derivatives. This is particularly difficult with multiphysics problems involving legacy codes, where the costs of implementing and maintaining shape derivative capabilities are prohibitive. The volume and boundary methods are two approaches to computing shape derivatives. Each has a major drawback: the boundary method is less accurate, while the volume method is more invasive to the FEM code. We introduce the strip method , which computes shape derivatives on a strip adjacent to the boundary. The strip method makes code coupling simple. Like the boundary method, it queries the state and adjoint solutions at quadrature nodes, but requires no knowledge of the FEM code implementations. At the same time, it exhibits the higher accuracy of the volume method. As an added benefit, its computational complexity is comparable to that of the boundary method, that is, it is faster than the volume method. We illustrate the benefits of the strip method with numerical examples.

Hardesty, Sean↗

Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-F-I-50: Finite Element-Based Deformable Image Registration of Lung and Heart

Purpose: Photodynamic therapy (PDT) is used after surgical resection to treat the microscopic disease for malignant pleural mesothelioma and to increase survival rates. Although accurate light delivery is imperative to PDT efficacy, the deformation of the pleural volume during the surgery impacts the delivered light dose. To facilitate treatment planning, we use a finite-element-based (FEM) deformable image registration to quantify the anatomical variation of lung and heart volumes between CT pre-(or post-) surgery and surface contours obtained during PDT using an infrared camera-based navigation system (NDI). Methods: NDI is used during PDT to obtain the information of the cumulative light fluence on every cavity surface point that is being treated. A wand, comprised of a modified endotrachial tube filled with Intralipid and an optical fiber inside the tube, is used to deliver the light during PDT. The position of the treatment is tracked using an attachment with nine reflective passive markers that are seen by the NDI system. Then, the position points are plotted as three-dimensional volume of the pleural cavity using Matlab and Meshlab. A series of computed tomography (CT) scans of the lungs and heart, in the same patient, are also acquired before and after the surgery. The NDI and CT contours are imported into COMSOL Multiphysics, where the FEM-based deformable image registration is obtained. The NDI and CT contours acquired during and post-PDT are considered as the reference, and the Pre-PDT CT contours are used as the target, which will be deformed. Results: Anatomical variation of the lung and heart volumes, taken at different times from different imaging devices, was determined by using our model. The resulting three-dimensional deformation map along x, y and z-axes was obtained. Conclusion: Our model fuses images acquired by different modalities and provides insights into the variation in anatomical structures over time.

60 APPLIED LIFE SCIENCES↗

Computer program for calculating full potential transonic, quasi-three-dimensional flow through a rotating turbomachinery blade row

A fast, reliable computer code is described for calculating the flow field about a cascade of arbitrary two dimensional airfoils. The method approximates the three dimensional flow in a turbomachinery blade row by correcting for stream tube convergence and radius change in the throughflow direction. A fully conservative solution of the full potential equation is combined with the finite volume technique on a body-fitted periodic mesh, with an artificial density imposed in the transonic region to insure stability and the capture of shock waves. The instructions required to set up and use the code are included. The name of the code is QSONIC. A numerical example is also given to illustrate the output of the program.

Farrell, C. A.↗

Computation of transonic vortex flows past delta wings Integral equation approach

The steady full-potential equation is written in the form of Poisson's equation, and the solution of the velocity field is expressed in terms of an integral equation. The solution consists of a surface integral of vorticity distribution on the wing and its free-vortex sheets and a volume integral of source distribution within a volume around the wing and its free-vortex sheets. The solution is obtained through successive iteration cycles. The source distribution is computed by using a mixed finite-difference scheme of the Murman-Cole type. The method is applied to delta wings. Numerical examples show that a conical shock is captured on the suction side of the wing. It is attached to the lower surface of the leading-edge vortex but does not necessarily reach to the wing surface.

Kandil, O. A.↗

3D Euler analysis of ducted propfan flowfields

A numerical method is presented for predicting the steady inviscid flow through a ducted propfan based on a time-marching solution of the three-dimensional Euler equations. A four-stage multiple-block Runge-Kutta finite volume numerical technique, utilizing implicit residual smoothing and a blended second and fourth difference dissipation, is applied to predict the transonic flowfield about both single-rotation and counter-rotations ducted rotors. Counter-rotation predictions are based on an average-passage system of equations approach. Calculations are performed for both a single sheared H-type grid system and a multiple-block grid system incorporating a C-type grid about the cowl. Numerical results are compared with experimental data for two cases: a low speed ducted propeller and a 1.15 pressure ratio fan stage.

Hall, Edward J.↗

Numerical Modeling of an Integrated Vehicle Fluids System Loop for Pressurizing a Cryogenic Tank

This paper presents a numerical model of the pressurization loop of the Integrated Vehicle Fluids (IVF) system using the Generalized Fluid System Simulation Program (GFSSP). The IVF propulsion system, being developed by United Launch Alliance to reduce system weight and enhance reliability, uses boiloff propellants to drive thrusters for the reaction control system as well as to run internal combustion engines to develop power and drive compressors to pressurize propellant tanks. NASA Marshall Space Flight Center (MSFC) conducted tests to verify the functioning of the IVF system using a flight-like tank. GFSSP, a finite volume based flow network analysis software developed at MSFC, has been used to support the test program. This paper presents the simulation of three different test series, comparison of numerical prediction and test data and a novel method of presenting data in a dimensionless form. The paper also presents a methodology of implementing a compressor map in a system level code.

LeClair, A. C.↗

WIPP Space Faces TRU Waste Disposal Limits; The Volume Reducing Solution - 18365

Transuranic (TRU) waste packaging for removal from a glovebox has for many years involved the use of bags as the primary containment. In many cases, many hydrogenous layers of bags, yards of tape, and multiple filters are added to the waste stream in order to get the TRU waste into the final 55 gallon drum package to be shipped and buried at the Waste Isolation Pilot Plant (WIPP). The WIPP is currently limited to a total finite disposed volume of Contact Handled (CH) and Remote Handled (RH) TRU waste. As of early 2014 over half of the allotted WIPP volume had been filled with mainly CH-TRU waste. Based on current bag operation packaging methods used, the Department of Energy's (DOE) remaining CH and RH waste will not fit in the remaining limited WIPP space. Bag operations, can be performed safely by good operators following tedious repetitive processes and many Administrative Safety Controls. Since the bag is the only confinement layer between the contamination and the operator, contamination incidents can occur. Bag-out operations require close proximity to the waste to perform the process. With some waste streams, this close to waste proximity increases operator radiation dose. Central Research Laboratories (CRL), based in Red Wing Minnesota, who for many decades has developed proven engineered material transfer solutions based around their Rapid Transfer Port (RTP) technology, has worked with DOE sites to develop a TRU Waste Management Solution. The solution is a single filtered large Polyethylene (PE) or Stainless Steel (SST) Rapid Transfer Port container in a standard Department of Transportation (DOT) 7A, Type A drum, which allows for loading of TRU waste directly from the operational glovebox without the use of bags, sleeves or tapes to provide leak tight containment. All operator interventions to connect and disconnect a drum to and from the glovebox are achieved in an upright ergonomic position by one (1) operator in less than three (3) minutes. Minimal As Low As Reasonably Achievable (ALARA) levels are achieved during connect and disconnect of the drum, due to the engineered safety controls of the RTP. The CRL RTP solution allows glovebox or re-packaged TRU waste to be safely transferred to the final 55 Gallon drum container without additional bags or tape. The high diffusion coefficient filter on the CRL RTP 55G container and elimination of added hydrogenous packaging, improves the Decay Heat Limit (DHL) per drum for most TRU waste types compared with bagged drums, and in most cases allows more TRU waste to be loaded per drum. Inorganic TRU waste materials can be packaged directly into the CRL RTP SST drum container to the maximum DHL and Fissile Gram Equivalent (FGE) allowable for a drum. This paper will show how highly efficient TRAMPAC approved TRU waste packaging of CH and RH TRU waste can be accomplished in a safer, cost effective manner without adding any additional packaging materials to the waste stream, thus increasing the chance of placing all DOE's legacy and to be generated TRU waste in the remaining WIPP space. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Stochastic lag time in nucleated linear self-assembly

Protein aggregation is of great importance in biology, e.g., in amyloid fibrillation. The aggregation processes that occur at the cellular scale must be highly stochastic in nature because of the statistical number fluctuations that arise on account of the small system size at the cellular scale. We study the nucleated reversible self-assembly of monomeric building blocks into polymer-like aggregates using the method of kinetic Monte Carlo. Kinetic Monte Carlo, being inherently stochastic, allows us to study the impact of fluctuations on the polymerization reactions. One of the most important characteristic features in this kind of problem is the existence of a lag phase before self-assembly takes off, which is what we focus attention on. We study the associated lag time as a function of system size and kinetic pathway. We find that the leading order stochastic contribution to the lag time before polymerization commences is inversely proportional to the system volume for large-enough system size for all nine reaction pathways tested. Finite-size corrections to this do depend on the kinetic pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A program to compute three-dimensional subsonic unsteady aerodynamic characteristics using the doublet lattice method, L216 (DUBFLEX). Volume 2: Supplemental system design and maintenance document

The information necessary for execution of the digital computer program L216 on the CDC 6600 is described. L216 characteristics are based on the doublet lattice method. Arbitrary aerodynamic configurations may be represented with combinations of nonplanar lifting surfaces composed of finite constant pressure panel elements, and axially summetric slender bodies composed of constant pressure line elements. Program input consists of configuration geometry, aerodynamic parameters, and modal data; output includes element geometry, pressure difference distributions, integrated aerodynamic coefficients, stability derivatives, generalized aerodynamic forces, and aerodynamic influence coefficient matrices. Optionally, modal data may be input on magnetic field (tape or disk), and certain geometric and aerodynamic output may be saved for subsequent use.

Harrison, B. A.↗

Mingus Discontinuous Multiphysics

Mingus provides hybrid coupled local/non-local mechanics analysis capabilities that extend several traditional methods to applications with inherent discontinuities. Its primary features include adaptations of solid mechanics, fluid dynamics and digital image correlation that naturally accommodate dijointed data or irregular solution fields by assimilating a variety of discretizations (such as control volume finite elements, peridynamics and meshless control point clouds). The goal of this software is to provide an analysis framework form multiphysics engineering problems with an integrated image correlation capability that can be used for experimental validation and model

Turner, Dan↗