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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 19 records

3D Higher Order Modeling in the BEM/FEM Hybrid Formulation

Higher order divergence- and curl-conforming bases have been shown to provide significant benefits, in both convergence rate and accuracy, in the 2D hybrid finite element/boundary element formulation (P. Fink and D. Wilton, National Radio Science Meeting, Boulder, CO, Jan. 2000). A critical issue in achieving the potential for accuracy of the approach is the accurate evaluation of all matrix elements. These involve products of high order polynomials and, in some instances, singular Green's functions. In the 2D formulation, the use of a generalized Gaussian quadrature method was found to greatly facilitate the computation and to improve the accuracy of the boundary integral equation self-terms. In this paper, a 3D, hybrid electric field formulation employing higher order bases and higher order elements is presented. The improvements in convergence rate and accuracy, compared to those resulting from lower order modeling, are established. Techniques developed to facilitate the computation of the boundary integral self-terms are also shown to improve the accuracy of these terms. Finally, simple preconditioning techniques are used in conjunction with iterative solution procedures to solve the resulting linear system efficiently. In order to handle the boundary integral singularities in the 3D formulation, the parent element- either a triangle or rectangle-is subdivided into a set of sub-triangles with a common vertex at the singularity. The contribution to the integral from each of the sub-triangles is computed using the Duffy transformation to remove the singularity. This method is shown to greatly facilitate t'pe self-term computation when the bases are of higher order. In addition, the sub-triangles can be further divided to achieve near arbitrary accuracy in the self-term computation. An efficient method for subdividing the parent element is presented. The accuracy obtained using higher order bases is compared to that obtained using lower order bases when the number of unknowns is approximately equal. Also, convergence rates obtained using higher order bases are compared to those obtained with lower order bases for selected sample

Fink, P. W.↗

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗

A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

Pusey, Marc L.↗

A 3D High-Order Unstructured Finite-Volume Algorithm for Solving Maxwell's Equations

A three-dimensional finite-volume algorithm based on arbitrary basis functions for time-dependent problems on general unstructured grids is developed. The method is applied to the time-domain Maxwell equations. Discrete unknowns are volume integrals or cell averages of the electric and magnetic field variables. Spatial terms are converted to surface integrals using the Gauss curl theorem. Polynomial basis functions are introduced in constructing local representations of the fields and evaluating the volume and surface integrals. Electric and magnetic fields are approximated by linear combinations of these basis functions. Unlike other unstructured formulations used in Computational Fluid Dynamics, the new formulation actually does not reconstruct the field variables at each time step. Instead, the spatial terms are calculated in terms of unknowns by precomputing weights at the beginning of the computation as functions of cell geometry and basis functions to retain efficiency. Since no assumption is made for cell geometry, this new formulation is suitable for arbitrarily defined grids, either smooth or unsmooth. However, to facilitate the volume and surface integrations, arbitrary polyhedral cells with polygonal faces are used in constructing grids. Both centered and upwind schemes are formulated. It is shown that conventional schemes (second order in Cartesian grids) are equivalent to the new schemes using first degree polynomials as the basis functions and the midpoint quadrature for the integrations. In the new formulation, higher orders of accuracy are achieved by using higher degree polynomial basis functions. Furthermore, all the surface and volume integrations are carried out exactly. Several model electromagnetic scattering problems are calculated and compared with analytical solutions. Examples are given for cases based on 0th to 3rd degree polynomial basis functions. In all calculations, a centered scheme is applied in the interior, while an upwind matching scheme is employed at material interfaces and the Engquist-Majda non-reflecting boundary condition is implemented at the numerical outer boundaries. The staggered leapfrog scheme and the Runge-Kutta methods are utilized for the time integration. Excellent agreements are found between the numerical and analytical solutions.

Liu, Yen↗

Investigarion of the effects of a quantum dot crystal geometry on its brillouin spectrum

We develop a theoretical model and carry out simulation of Brillouin spectrum of three-dimensional (3D) quantum dot (QD) arrays with a high order of 3D periodicity, i.e. quantum dot crystals (QDC). The phonon spectrum of Ge/Si QDC is found from the numerical solution of the elasticity equation for the whole structure. The developed approach is valid for any QD shape and regimentation and allows to include disorder in consider at ion.

quantum dot arrays quantum dot crystal raman spect↗

Numerical simulation of supersonic and hypersonic inlet flow fields

This report summarizes the research performed by North Carolina State University and NASA Ames Research Center under Cooperative Agreement NCA2-719, 'Numerical Simulation of Supersonic and Hypersonic Inlet Flow Fields". Four distinct rotated upwind schemes were developed and investigated to determine accuracy and practicality. The scheme found to have the best combination of attributes, including reduction to grid alignment with no rotation, was the cell centered non-orthogonal (CCNO) scheme. In 2D, the CCNO scheme improved rotation when flux interpolation was extended to second order. In 3D, improvements were less dramatic in all cases, with second order flux interpolation showing the least improvement over grid aligned upwinding. The reduction in improvement is attributed to uncertainty in determining optimum rotation angle and difficulty in performing accurate and efficient interpolation of the angle in 3D. The CCNO rotational technique will prove very useful for increasing accuracy when second order interpolation is not appropriate and will materially improve inlet flow solutions.

Mcrae, D. Scott↗

Higher-Order Neural Networks Applied to 2D and 3D Object Recognition

A Higher-Order Neural Network (HONN) can be designed to be invariant to geometric transformations such as scale, translation, and in-plane rotation. Invariances are built directly into the architecture of a HONN and do not need to be learned. Thus, for 2D object recognition, the network needs to be trained on just one view of each object class, not numerous scaled, translated, and rotated views. Because the 2D object recognition task is a component of the 3D object recognition task, built-in 2D invariance also decreases the size of the training set required for 3D object recognition. We present results for 2D object recognition both in simulation and within a robotic vision experiment and for 3D object recognition in simulation. We also compare our method to other approaches and show that HONNs have distinct advantages for position, scale, and rotation-invariant object recognition. The major drawback of HONNs is that the size of the input field is limited due to the memory required for the large number of interconnections in a fully connected network. We present partial connectivity strategies and a coarse-coding technique for overcoming this limitation and increasing the input field to that required by practical object recognition problems.

Spirkovska, Lilly↗

Evaluation of Human Spaceflight-Related Tissue Weight Relief Using Whole Body Finite Element Model Simulations

Tissue Weight Relief (TWR) is a physiological condition observed in human spaceflight. It not only impacts the injury biomechanics of soft tissue but also the physiological responses of the cardiovascular system both due to fluid redistribution and the effect of tissue-related transmural pressure on the large venous blood vessels. Understanding the effects of tissue weight relief is especially important because of the role it may play in understanding the cause of Space Associated Neuro-Ocular Syndrome (SANS). SANS can be characterized by a number of ocular changes which reduce visual acuity and SANS related symptoms occur in up to 51% of astronauts. A prevailing theory for the causation of SANS is that of headward (cephalad) fluid shift and a prolonged increase of Intracranial Pressure (ICP) similar to intracranial hypertension, which is not fully supported by the experimental data or astronaut symptom reporting. However, it is still believed that SANS is caused by a pressure change in the eye and the surrounding tissues. It has been proposed that TWR plays a substantial role in affecting internal pressures and fluid shifts in microgravity. In this effort, two whole-body Finite Element (FE) models – Elemance and THUMS – are used to ascertain the microgravity-associated TWR of the musculature surrounding the lower body veins. Elemance and THUMS are physics-based computational models that have been validated and verified for several automotive and domestic applications, and as such, can simulate the relief of soft tissue weight due to changes in the gravitation vector. Specifically, the current effort modeled the transition of the gravitational vector from 1G to 0G, applied across the whole-body model in a supine position. For each 1G to 0G transition simulation, the lower body vein’s transmural pressure-time profile was extracted and averaged around the anterior portion of the thigh muscle. The ascertained transmural pressure changes from 1G to 0G transition are given in Figure 1 for the Elemance and the THUMS FE models. The transmural pressure changes of 10 mmHg and 21 mmHg are in the same order of magnitude as Lu’s value of 44 mmHg. It is to be noted that Lu implemented a 0D to 1D lumped parameter model and the Elemance and THUMS are 3D higher order computational models. This proof-of-concept approach demonstrates that TWR pressure can be adequately estimated with in silico techniques however, further in silico investigations need to be conducted to address the unique contributions to the transmural pressure from each of the computational models.

Finite element modeling↗

A Two Colorable Fourth Order Compact Difference Scheme and Parallel Iterative Solution of the 3D Convection Diffusion Equation

A new fourth order compact difference scheme for the three dimensional convection diffusion equation with variable coefficients is presented. The novelty of this new difference scheme is that it Only requires 15 grid points and that it can be decoupled with two colors. The entire computational grid can be updated in two parallel subsweeps with the Gauss-Seidel type iterative method. This is compared with the known 19 point fourth order compact differenCe scheme which requires four colors to decouple the computational grid. Numerical results, with multigrid methods implemented on a shared memory parallel computer, are presented to compare the 15 point and the 19 point fourth order compact schemes.

Zhang, Jun↗

Multilineage differentiation of rhesus monkey embryonic stem cells in three-dimensional culture systems

In the course of normal embryogenesis, embryonic stem (ES) cells differentiate along different lineages in the context of complex three-dimensional (3D) tissue structures. In order to study this phenomenon in vitro under controlled conditions, 3D culture systems are necessary. Here, we studied in vitro differentiation of rhesus monkey ES cells in 3D collagen matrixes (collagen gels and porous collagen sponges). Differentiation of ES cells in these 3D systems was different from that in monolayers. ES cells differentiated in collagen matrixes into neural, epithelial, and endothelial lineages. The abilities of ES cells to form various structures in two chemically similar but topologically different matrixes were different. In particular, in collagen gels ES cells formed gland-like circular structures, whereas in collagen sponges ES cells were scattered through the matrix or formed aggregates. Soluble factors produced by feeder cells or added to the culture medium facilitated ES cell differentiation into particular lineages. Coculture with fibroblasts in collagen gel facilitated ES cell differentiation into cells of a neural lineage expressing nestin, neural cell adhesion molecule, and class III beta-tubulin. In collagen sponges, keratinocytes facilitated ES cell differentiation into cells of an endothelial lineage expressing factor VIII. Exogenous granulocyte-macrophage colony-stimulating factor further enhanced endothelial differentiation. Thus, both soluble factors and the type of extracellular matrix seem to be critical in directing differentiation of ES cells and the formation of tissue-like structures. Three-dimensional culture systems are a valuable tool for studying the mechanisms of these phenomena.

Pluripotent Stem Cells/cytology/physiology↗

Comprehensive Non-Destructive Conservation Documentation of Lunar Samples Using High-Resolution Image-Based 3D Reconstructions and X-Ray CT Data

Established contemporary conservation methods within the fields of Natural and Cultural Heritage encourage an interdisciplinary approach to preservation of heritage material (both tangible and intangible) that holds "Outstanding Universal Value" for our global community. NASA's lunar samples were acquired from the moon for the primary purpose of intensive scientific investigation. These samples, however, also invoke cultural significance, as evidenced by the millions of people per year that visit lunar displays in museums and heritage centers around the world. Being both scientifically and culturally significant, the lunar samples require a unique conservation approach. Government mandate dictates that NASA's Astromaterials Acquisition and Curation Office develop and maintain protocols for "documentation, preservation, preparation and distribution of samples for research, education and public outreach" for both current and future collections of astromaterials. Documentation, considered the first stage within the conservation methodology, has evolved many new techniques since curation protocols for the lunar samples were first implemented, and the development of new documentation strategies for current and future astromaterials is beneficial to keeping curation protocols up to date. We have developed and tested a comprehensive non-destructive documentation technique using high-resolution image-based 3D reconstruction and X-ray CT (XCT) data in order to create interactive 3D models of lunar samples that would ultimately be served to both researchers and the public. These data enhance preliminary scientific investigations including targeted sample requests, and also provide a new visual platform for the public to experience and interact with the lunar samples. We intend to serve these data as they are acquired on NASA's Astromaterials Acquisistion and Curation website at http://curator.jsc.nasa.gov/. Providing 3D interior and exterior documentation of astromaterial samples addresses the increasing demands for accessability to data and contemporary techniques for documentation, which can be realized for both current collections as well as future sample return missions.

Blumenfeld, E. H.↗

Postbuckling of long thick plates in compression including higher order transverse shearing effects

Aluminum plates of various length/width ratios loaded in compression are examined analytically in terms of buckling and postbuckling for comparison with classical theory. The plates are considered to be subjected to longitudinal compressive displacement with no edge stress and are assumed to be simply supported at the side edges. The average longitudinal direct stresses are computed to plot characteristic curves by means of the following theories: 3D flexibility, higher-order shear deformation, first-order shear deformation, and classical von Karman. The 3D flexibility approach yields the lowest results with more unknowns than the higher-order shear-deformation method. The 3D flexibility approach is considered to be the most accurate, and it is shown that the calculated resultants and displacements tend to vary when consideration is given to the effects of transverse shear.

Stein, Manuel↗

Tracking a turbulent spot in an immersive environment

We describe an interactive, immersive 3D system called Tracktur, which allows a viewer to track the development of a turbulent flow. Tracktur displays time-varying vortex structures extracted from a numerical flow simulation. The user navigates the space and probes the data within a windy 3D landscape. In order to sustain a constant frame rate, we enforce a fixed polygon budget on the geometry. We supplement the interactive system with interactive, hypertext documentation available on the World Wide Web. In actual use by a fluid dynamicist, the system has yielded new insights into the transition to turbulence in a laminar flow.

Banks, David C.↗

Geometric Reasoning for Automated Planning

An important aspect of mission planning for NASA s operation of the International Space Station is the allocation and management of space for supplies and equipment. The Stowage, Configuration Analysis, and Operations Planning teams collaborate to perform the bulk of that planning. A Geometric Reasoning Engine is developed in a way that can be shared by the teams to optimize item placement in the context of crew planning. The ISS crew spends (at the time of this writing) a third or more of their time moving supplies and equipment around. Better logistical support and optimized packing could make a significant impact on operational efficiency of the ISS. Currently, computational geometry and motion planning do not focus specifically on the optimized orientation and placement of 3D objects based on multiple distance and containment preferences and constraints. The software performs reasoning about the manipulation of 3D solid models in order to maximize an objective function based on distance. It optimizes for 3D orientation and placement. Spatial placement optimization is a general problem and can be applied to object packing or asset relocation.

Clement, Bradley J.↗

Pushing the Limits of Cubesat Attitude Control: A Ground Demonstration

A cubesat attitude control system (ACS) was designed at the NASA Marshall Space Flight Center (MSFC) to provide sub-degree pointing capabilities using low cost, COTS attitude sensors, COTS miniature reaction wheels, and a developmental micro-propulsion system. The ACS sensors and actuators were integrated onto a 3D-printed plastic 3U cubesat breadboard (10 cm x 10 cm x 30 cm) with a custom designed instrument board and typical cubesat COTS hardware for the electrical, power, and data handling and processing systems. In addition to the cubesat development, a low-cost air bearing was designed and 3D printed in order to float the cubesat in the test environment. Systems integration and verification were performed at the MSFC Small Projects Rapid Integration & Test Environment laboratory. Using a combination of both the miniature reaction wheels and the micro-propulsion system, the open and closed loop control capabilities of the ACS were tested in the Flight Robotics Laboratory. The testing demonstrated the desired sub-degree pointing capability of the ACS and also revealed the challenges of creating a relevant environment for development testin

Sanders, Devon S.↗

Development of Fast Algorithms Using Recursion, Nesting and Iterations for Computational Electromagnetics

In the first phase of our work, we have concentrated on laying the foundation to develop fast algorithms, including the use of recursive structure like the recursive aggregate interaction matrix algorithm (RAIMA), the nested equivalence principle algorithm (NEPAL), the ray-propagation fast multipole algorithm (RPFMA), and the multi-level fast multipole algorithm (MLFMA). We have also investigated the use of curvilinear patches to build a basic method of moments code where these acceleration techniques can be used later. In the second phase, which is mainly reported on here, we have concentrated on implementing three-dimensional NEPAL on a massively parallel machine, the Connection Machine CM-5, and have been able to obtain some 3D scattering results. In order to understand the parallelization of codes on the Connection Machine, we have also studied the parallelization of 3D finite-difference time-domain (FDTD) code with PML material absorbing boundary condition (ABC). We found that simple algorithms like the FDTD with material ABC can be parallelized very well allowing us to solve within a minute a problem of over a million nodes. In addition, we have studied the use of the fast multipole method and the ray-propagation fast multipole algorithm to expedite matrix-vector multiplication in a conjugate-gradient solution to integral equations of scattering. We find that these methods are faster than LU decomposition for one incident angle, but are slower than LU decomposition when many incident angles are needed as in the monostatic RCS calculations.

Chew, W. C.↗

On the bonding in Mn2(+)

Qualitative calculations are presented on the Mn2(+) ion. These yield a 12Sigma(g)(+) ground state, in agreement with experiment, in which the 3d electrons are ferromagnetically coupled. The 2Sigma(u)(+) state of Mu2(+) is found to lie 0.44 eV higher in energy; the 3d electrons on each center are high-spin coupled, but the interatomic coupling is antiferromagnetic. The large splitting between the 12Sigma(g)(+) and 2Sigma(u)(+) states is shown to be due to the intraatomic 4s-3d exchange energy, which is an order of magnitude larger than the weak interatomic 3d-3d interaction. The Mn2(+) ion is compared and contrasted with the Mn2 neutral species, where the analogous 11Sigma(u)(+) and 1Sigma(g)(+) states are reversed in order, but almost degenerate.

Bauschlicher, Charles W., Jr.↗