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At least 37 records · Page 2

Computational/experimental basis for conducting alkane droplet combustion experiments on space-based-platforms

An analysis is conducted of the requirement for the conduct of spherically symmetric droplet-combustion experiments on space platforms, on the basis of a novel time-dependent computational droplet combustion model that allows the time- and temperature-dependent transport characteristics to be incorporated. While at low oxygen indices the droplet burning extinction becomes a strong function of oxygen index, it becomes a weaker function at higher oxygen index values. The oxygen index that separates these two ranges are dependent on the diluent, being higher for He and lower for N.

Choi, Mun Y.↗

A Parallel Compact Multi-Dimensional Numerical Algorithm with Aeroacoustics Applications

In this study we propose a novel method to parallelize high-order compact numerical algorithms for the solution of three-dimensional PDEs (Partial Differential Equations) in a space-time domain. For this numerical integration most of the computer time is spent in computation of spatial derivatives at each stage of the Runge-Kutta temporal update. The most efficient direct method to compute spatial derivatives on a serial computer is a version of Gaussian elimination for narrow linear banded systems known as the Thomas algorithm. In a straightforward pipelined implementation of the Thomas algorithm processors are idle due to the forward and backward recurrences of the Thomas algorithm. To utilize processors during this time, we propose to use them for either non-local data independent computations, solving lines in the next spatial direction, or local data-dependent computations by the Runge-Kutta method. To achieve this goal, control of processor communication and computations by a static schedule is adopted. Thus, our parallel code is driven by a communication and computation schedule instead of the usual "creative, programming" approach. The obtained parallelization speed-up of the novel algorithm is about twice as much as that for the standard pipelined algorithm and close to that for the explicit DRP algorithm.

Povitsky, Alex↗

A Comparison of Rotor Disk Modeling and Blade-Resolved CFD Simulations for NASA's Tiltwing Air Taxi

A multi-fidelity computational fluid dynamics analysis is carried out for NASA’s tiltwing air taxi concept operating in airplane and helicopter mode. High-fidelity simulations are computationally expensive due to individual rotor blade modeling in a time-dependent computational domain with rotating grids. The mid-fidelity rotor disk option, in its source term implementation, is explored as a more affordable alternative. Computations are performed with NASA’s OVERFLOW flow solver loosely-coupled with the comprehensive code CAMRAD II for appropriate rotor trim. Detailed comparisons are shown for the trim solution, airloads, wake geometry, and rotor performance. While the rotor disk model is able to capture the flow field with satisfactory agreement in airplane mode, it faces difficulties in helicopter mode due to the three-dimensional effects of the wake. Although this study is limited to a specific vehicle geometry, it is expected that the results are somewhat generalizable to the analysis of multi-rotor configurations.

ARMD↗

Models and techniques for evaluating the effectiveness of aircraft computing systems

The development of system models that can provide a basis for the formulation and evaluation of aircraft computer system effectiveness, the formulation of quantitative measures of system effectiveness, and the development of analytic and simulation techniques for evaluating the effectiveness of a proposed or existing aircraft computer are described. Specific topics covered include: system models; performability evaluation; capability and functional dependence; computation of trajectory set probabilities; and hierarchical modeling of an air transport mission.

Meyer, J. F.↗

Automated Development of Accurate Algorithms and Efficient Codes for Computational Aeroacoustics

The simulation of sound generation and propagation in three space dimensions with realistic aircraft components is a very large time dependent computation with fine details. Simulations in open domains with embedded objects require accurate and robust algorithms for propagation, for artificial inflow and outflow boundaries, and for the definition of geometrically complex objects. The development, implementation, and validation of methods for solving these demanding problems is being done to support the NASA pillar goals for reducing aircraft noise levels. Our goal is to provide algorithms which are sufficiently accurate and efficient to produce usable results rapidly enough to allow design engineers to study the effects on sound levels of design changes in propulsion systems, and in the integration of propulsion systems with airframes. There is a lack of design tools for these purposes at this time. Our technical approach to this problem combines the development of new, algorithms with the use of Mathematica and Unix utilities to automate the algorithm development, code implementation, and validation. We use explicit methods to ensure effective implementation by domain decomposition for SPMD parallel computing. There are several orders of magnitude difference in the computational efficiencies of the algorithms which we have considered. We currently have new artificial inflow and outflow boundary conditions that are stable, accurate, and unobtrusive, with implementations that match the accuracy and efficiency of the propagation methods. The artificial numerical boundary treatments have been proven to have solutions which converge to the full open domain problems, so that the error from the boundary treatments can be driven as low as is required. The purpose of this paper is to briefly present a method for developing highly accurate algorithms for computational aeroacoustics, the use of computer automation in this process, and a brief survey of the algorithms that have resulted from this work. A review of computational aeroacoustics has recently been given by Lele.

Goodrich, John W.↗

A new implementation of the programming system for structural synthesis (PROSSS-2)

This new implementation of the PROgramming System for Structural Synthesis (PROSSS-2) combines a general-purpose finite element computer program for structural analysis, a state-of-the-art optimization program, and several user-supplied, problem-dependent computer programs. The results are flexibility of the optimization procedure, organization, and versatility of the formulation of constraints and design variables. The analysis-optimization process results in a minimized objective function, typically the mass. The analysis and optimization programs are executed repeatedly by looping through the system until the process is stopped by a user-defined termination criterion. However, some of the analysis, such as model definition, need only be one time and the results are saved for future use. The user must write some small, simple FORTRAN programs to interface between the analysis and optimization programs. One of these programs, the front processor, converts the design variables output from the optimizer into the suitable format for input into the analyzer. Another, the end processor, retrieves the behavior variables and, optionally, their gradients from the analysis program and evaluates the objective function and constraints and optionally their gradients. These quantities are output in a format suitable for input into the optimizer. These user-supplied programs are problem-dependent because they depend primarily upon which finite elements are being used in the model. PROSSS-2 differs from the original PROSSS in that the optimizer and front and end processors have been integrated into the finite element computer program. This was done to reduce the complexity and increase portability of the system, and to take advantage of the data handling features found in the finite element program.

Rogers, James L., Jr.↗

Kinetics of Diffusional Droplet Growth in a Liquid/Liquid Two-Phase System

We address the problem of diffusional interactions in a finite sized cluster of spherical particles for volume fractions, V(sub v) in the range 0-0.01. We determined the quasi-static monopole diffusion solution for n particles distributed at random in a continuous matrix. A global mass conservation condition is employed, obviating the need for any external boundary condition. The numerical results provide the instantaneous (snapshot) growth or shrinkage rate of each particle, precluding the need for extensive time-dependent computations. The close connection between these snapshot results and the coarsegrained kinetic constants are discussed. A square-root dependence of the deviations of the rate constants from their zero volume fraction value is found for the higher V(sub v) investigated. This behavior is consistent with predictions from diffusion Debye-Huckel screening theory. By contrast, a cube-root dependence, reported in earlier numerical studies, is found for the lower V(sub v) investigated. The roll-over region of the volume fraction where the two asymptotics merge depends on the number of particles, n, alone. A theoretical estimate for the roll-over point predicts that the corresponding V(sub v) varies as n(sup -2), in good agreement with the numerical results.

Glicksman, M. E.↗

Atomistic Method Applied to Computational Modeling of Surface Alloys

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Bozzolo, Guillermo H.↗

Stabilization of numerical interchange in spectral-element magnetohydrodynamics

In this study, auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C 0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate of the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. Lastly, the projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code [C. R. Sovinec, et al., J. Comput. Phys. 195 (2004) 355-386], provided that the projections introduce numerical dissipation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of the effect of initial conditions on the initial development of a turbulent jet

The effect of the initial condition at the jet exit on the downstream evolution, particularly within the potential core length, were numerically investigated as well as with available experimental data. In order to select the most dependable computational model for the present numerical experiment, a comparative study has been performed with different turbulence models at k-epsilon level, and it was found that the k-epsilon-gammma model yields superior prediction accuracy over other conventional models. The calculated results show that the potential core length and the spreading rate the initial mixing layer are dependent on the initial length scale as well as the turbulent kinetic energy at the jet exit. Such effect of the initial length scale increases with higher initial turbulence level. An empirical parameter has been devised to collapse the calculated data of the potential core length and the spreading rate with various initial conditions onto a single curve.

Kim, Soong KI↗

National-Tribal Critical Infrastructure Protection: Collaboration for Extraordinary National Security Benefit

This paper examines national and tribal collaborative opportunities to get ahead of the critical infrastructure insecurity problem. Recommendations are viewed through the lens of the Sandia Labs Tribal Cyber-Energy initiative and national security projects. Recommendations include 1) Collaboratively address national priority and shared challenges to gain faster and better solutions to national priority problems on a smaller yet comprehensive American Indian and Alaskan Native sovereign single-point of authority scale 2) Utilize newer standards-based technologies to provide scalable, capable, and manageable solutions for greatly expanded and connected national critical infrastructures 3) Employ Cyber-Physical-Resilient design preliminary analysis to define concept- to-disposition design requirements for preemptive critical infrastructure risk mitigation and baked-in security; 4) Develop data-centric protection to provide increased information asset protection as data shifts from data-owner operated on-premises infrastructure to virtual service provider data-steward owned and operated off-premises infrastructure; and 5) Balance shared solutions with the National Institute of Science and Technology (NIST) Cybersecurity and Risk Management frameworks, and the System Security Engineering Guidelines. As yet unallocated federal funding would support research, development, the timely application of National-Tribal critical infrastructure protection, and critical infrastructure Cyber disruption response and recovery with extraordinary mutual benefits for the foreseeable future. The Critical Infrastructure Insecurity Problem: Rapid modernization and expansive connectivity are due to advances in Information and Communications Technologies that have sweeping cyber impact across all critical infrastructure sectors. Supervisory Control and Data Acquisition and Industrial Control Systems are particularly impacted as systems long separated from the Internet are now being connected and computerized. Virtualization and mobility create a Data Everywhere-User Anywhere paradigm that has evaporated the enterprise network perimeter. There are multi-front technological challenges at play, where long depended on technologies simply don't scale to current needs resulting in a digital dichotomy of competing old and new standards. New standards-based technologies scale but are not as well-known or as widely deployed, which leaves decision makers, stakeholders, and the workforce in a quandary, caught mid-stream between the technological past and the virtual future. Rapid and expansive cyber threat accompanies disruptive change in connectivity and computational dependencies. A lack of action will exacerbate the problem if new technologies roll out without baked-in security design. The Risk: If National-Tribal CIP collaboration to design in security is not done, then an ongoing state of insufficient bolt-on security and elevated threat exposure will remain for years to come.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Cloud Scaling Properties and Cloud Parameterization

Cloud liquid and cloud traction variability is studied as a function of horizontal scale in the ECMWF forecast model during several 10-day runs at the highest available model resolution, recently refined from approximately 60 km (T213) down to approximately 20 km (T639). At higher resolutions, model plane-parallel albedo biases are reduced, so that models may be tuned to have larger, more realistic, cloud liquid water amounts, However, the distribution of cloud liquid assumed -within- each gridbox, for radiative and thermodynamic computations, depends on ad hoc assumptions that are not necessarily consistent with observed scaling properties, or with scaling properties produced by the model at larger scales. To study the larger-scale cloud properties, ten locations on the Earth are chosen to coincide with locations having considerable surface data available for validation, and representing a variety of climatic regimes, scaling exponents are determined from a range or scales down to model resolution, and are re-computed every three hours, separately for low, medium and high clouds, as well as column-integrated cloudiness. Cloud variability fluctuates in time, due to diurnal, synoptic and other' processes, but scaling exponents are found to be relatively stable. various approaches are considered for applying computed cloud scaling to subgrid cloud distributions used for radiation, beyond simple random or maximal overlap now in common use. Considerably more work is needed to compare model cloud scaling with observations. This will be aided by increased availability of high-resolution surface, aircraft and satellite data, and by the increasing resolution of global models,

Cahalan, R. F.↗

A Lanczos eigenvalue method on a parallel computer

Eigenvalue analyses of complex structures is a computationally intensive task which can benefit significantly from new and impending parallel computers. This study reports on a parallel computer implementation of the Lanczos method for free vibration analysis. The approach used here subdivides the major Lanczos calculation tasks into subtasks and introduces parallelism down to the subtask levels such as matrix decomposition and forward/backward substitution. The method was implemented on a commercial parallel computer and results were obtained for a long flexible space structure. While parallel computing efficiency is problem and computer dependent, the efficiency for the Lanczos method was good for a moderate number of processors for the test problem. The greatest reduction in time was realized for the decomposition of the stiffness matrix, a calculation which took 70 percent of the time in the sequential program and which took 25 percent of the time on eight processors. For a sample calculation of the twenty lowest frequencies of a 486 degree of freedom problem, the total sequential computing time was reduced by almost a factor of ten using 16 processors.

Bostic, Susan W.↗

Readout rebalancing for near-term quantum computers

Readout errors are a significant source of noise for near-term intermediate-scale quantum computers. Mismeasuring a qubit as |1) when it should be |0) occurs much less often than mismeasuring a qubit as |0) when it should have been |1). We make the simple observation that one can improve the readout fidelity of quantum computers by applying targeted X gates prior to performing a measurement. These X gates are placed so that the expected number of qubits in the |1) state is minimized. Classical postprocessing can undo the effect of the X gates so that the expectation value of any observable is unchanged. This protocol is designed to have no effect when readout errors are symmetric. We show that the statistical uncertainty following readout error corrections is smaller when using readout rebalancing. The statistical advantage is circuit and computer dependent and is demonstrated for the W state, a Grover search, and for a Gaussian state. The benefit in statistical precision is most pronounced (and nearly a factor of 2 in some cases) when states with many qubits in the excited state have high probability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-F-T-114: A Novel Anatomically Predictive Extension Model of Computational Human Phantoms for Dose Reconstruction in Retrospective Epidemiological Studies of Second Cancer Risks in Radiotherapy Patients

Purpose: Recent advances in cancer treatments have greatly increased the likelihood of post-treatment patient survival. Secondary malignancies, however, have become a growing concern. Epidemiological studies determining secondary effects in radiotherapy patients require assessment of organ-specific dose both inside and outside the treatment field. An essential input for Monte Carlo modeling of particle transport is radiological images showing full patient anatomy. However, in retrospective studies it is typical to only have partial anatomy from CT scans used during treatment planning. In this study, we developed a multi-step method to extend such limited patient anatomy to full body anatomy for estimating dose to normal tissues located outside the CT scan coverage. Methods: The first step identified a phantom from a library of body size-dependent computational human phantoms by matching the height and weight of patients. Second, a Python algorithm matched the patient CT coverage location in relation to the whole body phantom. Third, an algorithm cut the whole body phantom and scaled them to match the size of the patient. Then, merged the two anatomies into one whole body. We entitled this new approach, Anatomically Predictive Extension (APE). Results: The APE method was examined by comparing the original chest-abdomen-pelvis CT images of the five patients with the APE phantoms developed from only the chest part of the CAP images and whole body phantoms. We achieved average percent differences of tissue volumes of 25.7%, 34.2%, 16.5%, 26.8%, and 31.6% with an average of 27% across all patients. Conclusion: Our APE method extends the limited CT patient anatomy to whole body anatomy by using image processing and computational human phantoms. Our ongoing work includes evaluating the accuracy of these APE phantoms by comparing normal tissue doses in the APE phantoms and doses calculated for the original full CAP images under generic radiotherapy simulations. This research was supported by the NIH Intramural Research Program.

60 APPLIED LIFE SCIENCES↗

TH-CD-202-07: A Methodology for Generating Numerical Phantoms for Radiation Therapy Using Geometric Attribute Distribution Models

Purpose: A persistent challenge for the quality assessment of radiation therapy treatments (e.g. contouring accuracy) is the absence of the known, ground truth for patient data. Moreover, assessment results are often patient-dependent. Computer simulation studies utilizing numerical phantoms can be performed for quality assessment with a known ground truth. However, previously reported numerical phantoms do not include the statistical properties of inter-patient variations, as their models are based on only one patient. In addition, these models do not incorporate tumor data. In this study, a methodology was developed for generating numerical phantoms which encapsulate the statistical variations of patients within radiation therapy, including tumors. Methods: Based on previous work in contouring assessment, geometric attribute distribution (GAD) models were employed to model both the deterministic and stochastic properties of individual organs via principle component analysis. Using pre-existing radiation therapy contour data, the GAD models are trained to model the shape and centroid distributions of each organ. Then, organs with different shapes and positions can be generated by assigning statistically sound weights to the GAD model parameters. Organ contour data from 20 retrospective prostate patient cases were manually extracted and utilized to train the GAD models. As a demonstration, computer-simulated CT images of generated numerical phantoms were calculated and assessed subjectively and objectively for realism. Results: A cohort of numerical phantoms of the male human pelvis was generated. CT images were deemed realistic both subjectively and objectively in terms of image noise power spectrum. Conclusion: A methodology has been developed to generate realistic numerical anthropomorphic phantoms using pre-existing radiation therapy data. The GAD models guarantee that generated organs span the statistical distribution of observed radiation therapy patients, according to the training dataset. The methodology enables radiation therapy treatment assessment with multi-modality imaging and a known ground truth, and without patient-dependent bias.

60 APPLIED LIFE SCIENCES↗

Development of analytical methods of predicting the pressure distribution about a nacelle at transonic speeds: Exact solution

A computer program to predict the inviscid, transonic flow field about isolated nacelles was developed. The problem was to be formulated to solve Euler's equations without any approximation (such as small disturbances) and hence the terminology exact solution. The flow field was complicated by the presence of imbedded shock waves, an engine-inlet interface, and exhaust plumes. Furthermore, the transonic nacelles of interest had a very slender but blunt cowl lip. This created two distinct length scales, the length of the nacelle and the cowl lip radius that can differ by several orders of magnitude. These aspects of the flow field presented many numerical difficulties. The approach to the problem was to calculate the nacelle flow field using the method of time-dependent computations (TDC). Although at the time of the issuance of this contract, other approaches to transonic flow calculations existed, it was felt that TDC offered the most effective means of meeting the goals of the contract.

Grossman, B.↗