Computational methods in drug discovery

PubMed Central

Leelananda, Sumudu P

2016-01-01

The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein–ligand docking, pharmacophore modeling and QSAR techniques are reviewed. PMID:28144341

Computational methods in drug discovery.

PubMed

Leelananda, Sumudu P; Lindert, Steffen

2016-01-01

The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein-ligand docking, pharmacophore modeling and QSAR techniques are reviewed.

Computation of Symmetric Discrete Cosine Transform Using Bakhvalov's Algorithm

NASA Technical Reports Server (NTRS)

Aburdene, Maurice F.; Strojny, Brian C.; Dorband, John E.

2005-01-01

A number of algorithms for recursive computation of the discrete cosine transform (DCT) have been developed recently. This paper presents a new method for computing the discrete cosine transform and its inverse using Bakhvalov's algorithm, a method developed for evaluation of a polynomial at a point. In this paper, we will focus on both the application of the algorithm to the computation of the DCT-I and its complexity. In addition, Bakhvalov s algorithm is compared with Clenshaw s algorithm for the computation of the DCT.

Development and Application of Computational/In Vitro Toxicological Methods for Chemical Hazard Risk Reduction of New Materials for Advanced Weapon Systems

NASA Technical Reports Server (NTRS)

Frazier, John M.; Mattie, D. R.; Hussain, Saber; Pachter, Ruth; Boatz, Jerry; Hawkins, T. W.

2000-01-01

The development of quantitative structure-activity relationship (QSAR) is essential for reducing the chemical hazards of new weapon systems. The current collaboration between HEST (toxicology research and testing), MLPJ (computational chemistry) and PRS (computational chemistry, new propellant synthesis) is focusing R&D efforts on basic research goals that will rapidly transition to useful products for propellant development. Computational methods are being investigated that will assist in forecasting cellular toxicological end-points. Models developed from these chemical structure-toxicity relationships are useful for the prediction of the toxicological endpoints of new related compounds. Research is focusing on the evaluation tools to be used for the discovery of such relationships and the development of models of the mechanisms of action. Combinations of computational chemistry techniques, in vitro toxicity methods, and statistical correlations, will be employed to develop and explore potential predictive relationships; results for series of molecular systems that demonstrate the viability of this approach are reported. A number of hydrazine salts have been synthesized for evaluation. Computational chemistry methods are being used to elucidate the mechanism of action of these salts. Toxicity endpoints such as viability (LDH) and changes in enzyme activity (glutahoione peroxidase and catalase) are being experimentally measured as indicators of cellular damage. Extrapolation from computational/in vitro studies to human toxicity, is the ultimate goal. The product of this program will be a predictive tool to assist in the development of new, less toxic propellants.

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1988-01-01

The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1989-01-01

The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

The Shock and Vibration Digest. Volume 14, Number 11

DTIC Science & Technology

1982-11-01

cooled reactor 1981) ( HTGR ) core under seismic excitation his been developed . N82-18644 The computer program can be used to predict the behavior (In...French) of the HTGR core under seismic excitation. Key Words: Computer programs , Modal analysis, Beams, Undamped structures A computation method is...30) PROGRAMMING c c Dale and Cohen [221 extended the method of McMunn and Plunkett [201 developed a compute- McMunn and Plunkett to continuous systems

Report of the Task Force on Computer Charging.

ERIC Educational Resources Information Center

Computer Co-ordination Group, Ottawa (Ontario).

The objectives of the Task Force on Computer Charging as approved by the Committee of Presidents of Universities of Ontario were: (1) to identify alternative methods of costing computing services; (2) to identify alternative methods of pricing computing services; (3) to develop guidelines for the pricing of computing services; (4) to identify…

Perspective: Quantum mechanical methods in biochemistry and biophysics.

PubMed

Cui, Qiang

2016-10-14

In this perspective article, I discuss several research topics relevant to quantum mechanical (QM) methods in biophysical and biochemical applications. Due to the immense complexity of biological problems, the key is to develop methods that are able to strike the proper balance of computational efficiency and accuracy for the problem of interest. Therefore, in addition to the development of novel ab initio and density functional theory based QM methods for the study of reactive events that involve complex motifs such as transition metal clusters in metalloenzymes, it is equally important to develop inexpensive QM methods and advanced classical or quantal force fields to describe different physicochemical properties of biomolecules and their behaviors in complex environments. Maintaining a solid connection of these more approximate methods with rigorous QM methods is essential to their transferability and robustness. Comparison to diverse experimental observables helps validate computational models and mechanistic hypotheses as well as driving further development of computational methodologies.

Biomimetic design processes in architecture: morphogenetic and evolutionary computational design.

PubMed

Menges, Achim

2012-03-01

Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies.

Multigrid Methods for Aerodynamic Problems in Complex Geometries

NASA Technical Reports Server (NTRS)

Caughey, David A.

1995-01-01

Work has been directed at the development of efficient multigrid methods for the solution of aerodynamic problems involving complex geometries, including the development of computational methods for the solution of both inviscid and viscous transonic flow problems. The emphasis is on problems of complex, three-dimensional geometry. The methods developed are based upon finite-volume approximations to both the Euler and the Reynolds-Averaged Navier-Stokes equations. The methods are developed for use on multi-block grids using diagonalized implicit multigrid methods to achieve computational efficiency. The work is focused upon aerodynamic problems involving complex geometries, including advanced engine inlets.

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1989-01-01

The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

Type Theory, Computation and Interactive Theorem Proving

DTIC Science & Technology

2015-09-01

postdoc Cody Roux, to develop new methods of verifying real-valued inequalities automatically. They developed a prototype implementation in Python [8] (an...he has developed new heuristic, geometric methods of verifying real-valued inequalities. A python -based implementation has performed surprisingly...express complex mathematical and computational assertions. In this project, Avigad and Harper developed type-theoretic algorithms and formalisms that

Computational Electromagnetic Modeling of SansEC(Trade Mark) Sensors

NASA Technical Reports Server (NTRS)

Smith, Laura J.; Dudley, Kenneth L.; Szatkowski, George N.

2011-01-01

This paper describes the preliminary effort to apply computational design tools to aid in the development of an electromagnetic SansEC resonant sensor composite materials damage detection system. The computational methods and models employed on this research problem will evolve in complexity over time and will lead to the development of new computational methods and experimental sensor systems that demonstrate the capability to detect, diagnose, and monitor the damage of composite materials and structures on aerospace vehicles.

Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence.

PubMed

Hillisch, Alexander; Heinrich, Nikolaus; Wild, Hanno

2015-12-01

Computational chemistry within the pharmaceutical industry has grown into a field that proactively contributes to many aspects of drug design, including target selection and lead identification and optimization. While methodological advancements have been key to this development, organizational developments have been crucial to our success as well. In particular, the interaction between computational and medicinal chemistry and the integration of computational chemistry into the entire drug discovery process have been invaluable. Over the past ten years we have shaped and developed a highly efficient computational chemistry group for small-molecule drug discovery at Bayer HealthCare that has significantly impacted the clinical development pipeline. In this article we describe the setup and tasks of the computational group and discuss external collaborations. We explain what we have found to be the most valuable and productive methods and discuss future directions for computational chemistry method development. We share this information with the hope of igniting interesting discussions around this topic. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A GPU-accelerated implicit meshless method for compressible flows

NASA Astrophysics Data System (ADS)

Zhang, Jia-Le; Ma, Zhi-Hua; Chen, Hong-Quan; Cao, Cheng

2018-05-01

This paper develops a recently proposed GPU based two-dimensional explicit meshless method (Ma et al., 2014) by devising and implementing an efficient parallel LU-SGS implicit algorithm to further improve the computational efficiency. The capability of the original 2D meshless code is extended to deal with 3D complex compressible flow problems. To resolve the inherent data dependency of the standard LU-SGS method, which causes thread-racing conditions destabilizing numerical computation, a generic rainbow coloring method is presented and applied to organize the computational points into different groups by painting neighboring points with different colors. The original LU-SGS method is modified and parallelized accordingly to perform calculations in a color-by-color manner. The CUDA Fortran programming model is employed to develop the key kernel functions to apply boundary conditions, calculate time steps, evaluate residuals as well as advance and update the solution in the temporal space. A series of two- and three-dimensional test cases including compressible flows over single- and multi-element airfoils and a M6 wing are carried out to verify the developed code. The obtained solutions agree well with experimental data and other computational results reported in the literature. Detailed analysis on the performance of the developed code reveals that the developed CPU based implicit meshless method is at least four to eight times faster than its explicit counterpart. The computational efficiency of the implicit method could be further improved by ten to fifteen times on the GPU.

Research on Quantum Authentication Methods for the Secure Access Control Among Three Elements of Cloud Computing

NASA Astrophysics Data System (ADS)

Dong, Yumin; Xiao, Shufen; Ma, Hongyang; Chen, Libo

2016-12-01

Cloud computing and big data have become the developing engine of current information technology (IT) as a result of the rapid development of IT. However, security protection has become increasingly important for cloud computing and big data, and has become a problem that must be solved to develop cloud computing. The theft of identity authentication information remains a serious threat to the security of cloud computing. In this process, attackers intrude into cloud computing services through identity authentication information, thereby threatening the security of data from multiple perspectives. Therefore, this study proposes a model for cloud computing protection and management based on quantum authentication, introduces the principle of quantum authentication, and deduces the quantum authentication process. In theory, quantum authentication technology can be applied in cloud computing for security protection. This technology cannot be cloned; thus, it is more secure and reliable than classical methods.

Ways of achieving continuous service from computers

NASA Technical Reports Server (NTRS)

Quinn, M. J., Jr.

1974-01-01

This paper outlines the methods used in the real-time computer complex to keep computers operating. Methods include selectover, high-speed restart, and low-speed restart. The hardware and software needed to implement these methods is discussed as well as the system recovery facility, alternate device support, and timeout. In general, methods developed while supporting the Gemini, Apollo, and Skylab space missions are presented.

Computer Simulation as an Aid for Management of an Information System.

ERIC Educational Resources Information Center

Simmonds, W. H.; And Others

The aim of this study was to develop methods, based upon computer simulation, of designing information systems and illustrate the use of these methods by application to an information service. The method developed is based upon Monte Carlo and discrete event simulation techniques and is described in an earlier report - Sira report R412 Organizing…

Design synthesis and optimization of permanent magnet synchronous machines based on computationally-efficient finite element analysis

NASA Astrophysics Data System (ADS)

Sizov, Gennadi Y.

In this dissertation, a model-based multi-objective optimal design of permanent magnet ac machines, supplied by sine-wave current regulated drives, is developed and implemented. The design procedure uses an efficient electromagnetic finite element-based solver to accurately model nonlinear material properties and complex geometric shapes associated with magnetic circuit design. Application of an electromagnetic finite element-based solver allows for accurate computation of intricate performance parameters and characteristics. The first contribution of this dissertation is the development of a rapid computational method that allows accurate and efficient exploration of large multi-dimensional design spaces in search of optimum design(s). The computationally efficient finite element-based approach developed in this work provides a framework of tools that allow rapid analysis of synchronous electric machines operating under steady-state conditions. In the developed modeling approach, major steady-state performance parameters such as, winding flux linkages and voltages, average, cogging and ripple torques, stator core flux densities, core losses, efficiencies and saturated machine winding inductances, are calculated with minimum computational effort. In addition, the method includes means for rapid estimation of distributed stator forces and three-dimensional effects of stator and/or rotor skew on the performance of the machine. The second contribution of this dissertation is the development of the design synthesis and optimization method based on a differential evolution algorithm. The approach relies on the developed finite element-based modeling method for electromagnetic analysis and is able to tackle large-scale multi-objective design problems using modest computational resources. Overall, computational time savings of up to two orders of magnitude are achievable, when compared to current and prevalent state-of-the-art methods. These computational savings allow one to expand the optimization problem to achieve more complex and comprehensive design objectives. The method is used in the design process of several interior permanent magnet industrial motors. The presented case studies demonstrate that the developed finite element-based approach practically eliminates the need for using less accurate analytical and lumped parameter equivalent circuit models for electric machine design optimization. The design process and experimental validation of the case-study machines are detailed in the dissertation.

Static aeroelastic analysis and tailoring of a single-element racing car wing

NASA Astrophysics Data System (ADS)

Sadd, Christopher James

This thesis presents the research from an Engineering Doctorate research programme in collaboration with Reynard Motorsport Ltd, a manufacturer of racing cars. Racing car wing design has traditionally considered structures to be rigid. However, structures are never perfectly rigid and the interaction between aerodynamic loading and structural flexibility has a direct impact on aerodynamic performance. This interaction is often referred to as static aeroelasticity and the focus of this research has been the development of a computational static aeroelastic analysis method to improve the design of a single-element racing car wing. A static aeroelastic analysis method has been developed by coupling a Reynolds-Averaged Navier-Stokes CFD analysis method with a Finite Element structural analysis method using an iterative scheme. Development of this method has included assessment of CFD and Finite Element analysis methods and development of data transfer and mesh deflection methods. Experimental testing was also completed to further assess the computational analyses. The computational and experimental results show a good correlation and these studies have also shown that a Navier-Stokes static aeroelastic analysis of an isolated wing can be performed at an acceptable computational cost. The static aeroelastic analysis tool was used to assess methods of tailoring the structural flexibility of the wing to increase its aerodynamic performance. These tailoring methods were then used to produce two final wing designs to increase downforce and reduce drag respectively. At the average operating dynamic pressure of the racing car, the computational analysis predicts that the downforce-increasing wing has a downforce of C[1]=-1.377 in comparison to C[1]=-1.265 for the original wing. The computational analysis predicts that the drag-reducing wing has a drag of C[d]=0.115 in comparison to C[d]=0.143 for the original wing.

Interfacial gauge methods for incompressible fluid dynamics

PubMed Central

Saye, Robert

2016-01-01

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of “gauge freedom” to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work, high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena. PMID:27386567

Probabilistic Structural Analysis Theory Development

NASA Technical Reports Server (NTRS)

Burnside, O. H.

1985-01-01

The objective of the Probabilistic Structural Analysis Methods (PSAM) project is to develop analysis techniques and computer programs for predicting the probabilistic response of critical structural components for current and future space propulsion systems. This technology will play a central role in establishing system performance and durability. The first year's technical activity is concentrating on probabilistic finite element formulation strategy and code development. Work is also in progress to survey critical materials and space shuttle mian engine components. The probabilistic finite element computer program NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) is being developed. The final probabilistic code will have, in the general case, the capability of performing nonlinear dynamic of stochastic structures. It is the goal of the approximate methods effort to increase problem solving efficiency relative to finite element methods by using energy methods to generate trial solutions which satisfy the structural boundary conditions. These approximate methods will be less computer intensive relative to the finite element approach.

Emergent Literacy Development and Computer Assisted Instruction

ERIC Educational Resources Information Center

Trotti, Judy; Hendricks, Randy; Bledsoe, Christie

2017-01-01

In this mixed-methods study, researchers examined the literacy development of prekindergarten students (N = 162) randomly placed in one of two treatment groups with each receiving 15 minutes of computer-assisted literacy instruction for four months. Literacy development of a control group of children not receiving computer-assisted instruction was…

Design of Intelligent Robot as A Tool for Teaching Media Based on Computer Interactive Learning and Computer Assisted Learning to Improve the Skill of University Student

NASA Astrophysics Data System (ADS)

Zuhrie, M. S.; Basuki, I.; Asto B, I. G. P.; Anifah, L.

2018-01-01

The focus of the research is the teaching module which incorporates manufacturing, planning mechanical designing, controlling system through microprocessor technology and maneuverability of the robot. Computer interactive and computer-assisted learning is strategies that emphasize the use of computers and learning aids (computer assisted learning) in teaching and learning activity. This research applied the 4-D model research and development. The model is suggested by Thiagarajan, et.al (1974). 4-D Model consists of four stages: Define Stage, Design Stage, Develop Stage, and Disseminate Stage. This research was conducted by applying the research design development with an objective to produce a tool of learning in the form of intelligent robot modules and kit based on Computer Interactive Learning and Computer Assisted Learning. From the data of the Indonesia Robot Contest during the period of 2009-2015, it can be seen that the modules that have been developed confirm the fourth stage of the research methods of development; disseminate method. The modules which have been developed for students guide students to produce Intelligent Robot Tool for Teaching Based on Computer Interactive Learning and Computer Assisted Learning. Results of students’ responses also showed a positive feedback to relate to the module of robotics and computer-based interactive learning.

Probabilistic Structural Analysis Methods (PSAM) for select space propulsion system components, part 2

NASA Technical Reports Server (NTRS)

1991-01-01

The technical effort and computer code enhancements performed during the sixth year of the Probabilistic Structural Analysis Methods program are summarized. Various capabilities are described to probabilistically combine structural response and structural resistance to compute component reliability. A library of structural resistance models is implemented in the Numerical Evaluations of Stochastic Structures Under Stress (NESSUS) code that included fatigue, fracture, creep, multi-factor interaction, and other important effects. In addition, a user interface was developed for user-defined resistance models. An accurate and efficient reliability method was developed and was successfully implemented in the NESSUS code to compute component reliability based on user-selected response and resistance models. A risk module was developed to compute component risk with respect to cost, performance, or user-defined criteria. The new component risk assessment capabilities were validated and demonstrated using several examples. Various supporting methodologies were also developed in support of component risk assessment.

Domain identification in impedance computed tomography by spline collocation method

NASA Technical Reports Server (NTRS)

Kojima, Fumio

1990-01-01

A method for estimating an unknown domain in elliptic boundary value problems is considered. The problem is formulated as an inverse problem of integral equations of the second kind. A computational method is developed using a splice collocation scheme. The results can be applied to the inverse problem of impedance computed tomography (ICT) for image reconstruction.

On computational methods for crashworthiness

NASA Technical Reports Server (NTRS)

Belytschko, T.

1992-01-01

The evolution of computational methods for crashworthiness and related fields is described and linked with the decreasing cost of computational resources and with improvements in computation methodologies. The latter includes more effective time integration procedures and more efficient elements. Some recent developments in methodologies and future trends are also summarized. These include multi-time step integration (or subcycling), further improvements in elements, adaptive meshes, and the exploitation of parallel computers.

Technical Evaluation Report for Symposium AVT-147: Computational Uncertainty in Military Vehicle Design

NASA Technical Reports Server (NTRS)

Radespiel, Rolf; Hemsch, Michael J.

2007-01-01

The complexity of modern military systems, as well as the cost and difficulty associated with experimentally verifying system and subsystem design makes the use of high-fidelity based simulation a future alternative for design and development. The predictive ability of such simulations such as computational fluid dynamics (CFD) and computational structural mechanics (CSM) have matured significantly. However, for numerical simulations to be used with confidence in design and development, quantitative measures of uncertainty must be available. The AVT 147 Symposium has been established to compile state-of-the art methods of assessing computational uncertainty, to identify future research and development needs associated with these methods, and to present examples of how these needs are being addressed and how the methods are being applied. Papers were solicited that address uncertainty estimation associated with high fidelity, physics-based simulations. The solicitation included papers that identify sources of error and uncertainty in numerical simulation from either the industry perspective or from the disciplinary or cross-disciplinary research perspective. Examples of the industry perspective were to include how computational uncertainty methods are used to reduce system risk in various stages of design or development.

Graphics Flutter Analysis Methods, an interactive computing system at Lockheed-California Company

NASA Technical Reports Server (NTRS)

Radovcich, N. A.

1975-01-01

An interactive computer graphics system, Graphics Flutter Analysis Methods (GFAM), was developed to complement FAMAS, a matrix-oriented batch computing system, and other computer programs in performing complex numerical calculations using a fully integrated data management system. GFAM has many of the matrix operation capabilities found in FAMAS, but on a smaller scale, and is utilized when the analysis requires a high degree of interaction between the engineer and computer, and schedule constraints exclude the use of batch entry programs. Applications of GFAM to a variety of preliminary design, development design, and project modification programs suggest that interactive flutter analysis using matrix representations is a feasible and cost effective computing tool.

The Development of a Robot-Based Learning Companion: A User-Centered Design Approach

ERIC Educational Resources Information Center

Hsieh, Yi-Zeng; Su, Mu-Chun; Chen, Sherry Y.; Chen, Gow-Dong

2015-01-01

A computer-vision-based method is widely employed to support the development of a variety of applications. In this vein, this study uses a computer-vision-based method to develop a playful learning system, which is a robot-based learning companion named RobotTell. Unlike existing playful learning systems, a user-centered design (UCD) approach is…

Computer Graphics-aided systems analysis: application to well completion design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Detamore, J.E.; Sarma, M.P.

1985-03-01

The development of an engineering tool (in the form of a computer model) for solving design and analysis problems related with oil and gas well production operations is discussed. The development of the method is based on integrating the concepts of ''Systems Analysis'' with the techniques of ''Computer Graphics''. The concepts behind the method are very general in nature. This paper, however, illustrates the application of the method in solving gas well completion design problems. The use of the method will save time and improve the efficiency of such design and analysis problems. The method can be extended to othermore » design and analysis aspects of oil and gas wells.« less

A comparison of transport algorithms for premixed, laminar steady state flames

NASA Technical Reports Server (NTRS)

Coffee, T. P.; Heimerl, J. M.

1980-01-01

The effects of different methods of approximating multispecies transport phenomena in models of premixed, laminar, steady state flames were studied. Five approximation methods that span a wide range of computational complexity were developed. Identical data for individual species properties were used for each method. Each approximation method is employed in the numerical solution of a set of five H2-02-N2 flames. For each flame the computed species and temperature profiles, as well as the computed flame speeds, are found to be very nearly independent of the approximation method used. This does not indicate that transport phenomena are unimportant, but rather that the selection of the input values for the individual species transport properties is more important than the selection of the method used to approximate the multispecies transport. Based on these results, a sixth approximation method was developed that is computationally efficient and provides results extremely close to the most sophisticated and precise method used.

High-Throughput Thermodynamic Modeling and Uncertainty Quantification for ICME

NASA Astrophysics Data System (ADS)

Otis, Richard A.; Liu, Zi-Kui

2017-05-01

One foundational component of the integrated computational materials engineering (ICME) and Materials Genome Initiative is the computational thermodynamics based on the calculation of phase diagrams (CALPHAD) method. The CALPHAD method pioneered by Kaufman has enabled the development of thermodynamic, atomic mobility, and molar volume databases of individual phases in the full space of temperature, composition, and sometimes pressure for technologically important multicomponent engineering materials, along with sophisticated computational tools for using the databases. In this article, our recent efforts will be presented in terms of developing new computational tools for high-throughput modeling and uncertainty quantification based on high-throughput, first-principles calculations and the CALPHAD method along with their potential propagations to downstream ICME modeling and simulations.

Measuring coherence of computer-assisted likelihood ratio methods.

PubMed

Haraksim, Rudolf; Ramos, Daniel; Meuwly, Didier; Berger, Charles E H

2015-04-01

Measuring the performance of forensic evaluation methods that compute likelihood ratios (LRs) is relevant for both the development and the validation of such methods. A framework of performance characteristics categorized as primary and secondary is introduced in this study to help achieve such development and validation. Ground-truth labelled fingerprint data is used to assess the performance of an example likelihood ratio method in terms of those performance characteristics. Discrimination, calibration, and especially the coherence of this LR method are assessed as a function of the quantity and quality of the trace fingerprint specimen. Assessment of the coherence revealed a weakness of the comparison algorithm in the computer-assisted likelihood ratio method used. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

An initial investigation into methods of computing transonic aerodynamic sensitivity coefficients

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1992-01-01

Research conducted during the period from July 1991 through December 1992 is covered. A method based upon the quasi-analytical approach was developed for computing the aerodynamic sensitivity coefficients of three dimensional wings in transonic and subsonic flow. In addition, the method computes for comparison purposes the aerodynamic sensitivity coefficients using the finite difference approach. The accuracy and validity of the methods are currently under investigation.

A method for determining spiral-bevel gear tooth geometry for finite element analysis

NASA Technical Reports Server (NTRS)

Handschuh, Robert F.; Litvin, Faydor L.

1991-01-01

An analytical method was developed to determine gear tooth surface coordinates of face-milled spiral bevel gears. The method uses the basic gear design parameters in conjunction with the kinematical aspects of spiral bevel gear manufacturing machinery. A computer program, SURFACE, was developed. The computer program calculates the surface coordinates and outputs 3-D model data that can be used for finite element analysis. Development of the modeling method and an example case are presented. This analysis method could also find application for gear inspection and near-net-shape gear forging die design.

A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

NASA Technical Reports Server (NTRS)

Kim, B. F.; Moorjani, K.; Phillips, T. E.; Adrian, F. J.; Bohandy, J.; Dolecek, Q. E.

1993-01-01

A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

METHODOLOGICAL NOTES: Computer viruses and methods of combatting them

NASA Astrophysics Data System (ADS)

Landsberg, G. L.

1991-02-01

This article examines the current virus situation for personal computers and time-sharing computers. Basic methods of combatting viruses are presented. Specific recommendations are given to eliminate the most widespread viruses. A short description is given of a universal antiviral system, PHENIX, which has been developed.

Computer Human Interaction for Image Information Systems.

ERIC Educational Resources Information Center

Beard, David Volk

1991-01-01

Presents an approach to developing viable image computer-human interactions (CHI) involving user metaphors for comprehending image data and methods for locating, accessing, and displaying computer images. A medical-image radiology workstation application is used as an example, and feedback and evaluation methods are discussed. (41 references) (LRW)

CAROLINA CENTER FOR COMPUTATIONAL TOXICOLOGY

EPA Science Inventory

The Center will advance the field of computational toxicology through the development of new methods and tools, as well as through collaborative efforts. In each Project, new computer-based models will be developed and published that represent the state-of-the-art. The tools p...

A Comparison of Three Methods for Computing Scale Score Conditional Standard Errors of Measurement. ACT Research Report Series, 2013 (7)

ERIC Educational Resources Information Center

Woodruff, David; Traynor, Anne; Cui, Zhongmin; Fang, Yu

2013-01-01

Professional standards for educational testing recommend that both the overall standard error of measurement and the conditional standard error of measurement (CSEM) be computed on the score scale used to report scores to examinees. Several methods have been developed to compute scale score CSEMs. This paper compares three methods, based on…

Probabilistic methods for rotordynamics analysis

NASA Technical Reports Server (NTRS)

Wu, Y.-T.; Torng, T. Y.; Millwater, H. R.; Fossum, A. F.; Rheinfurth, M. H.

1991-01-01

This paper summarizes the development of the methods and a computer program to compute the probability of instability of dynamic systems that can be represented by a system of second-order ordinary linear differential equations. Two instability criteria based upon the eigenvalues or Routh-Hurwitz test functions are investigated. Computational methods based on a fast probability integration concept and an efficient adaptive importance sampling method are proposed to perform efficient probabilistic analysis. A numerical example is provided to demonstrate the methods.

Computational methods for global/local analysis

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.; Mccleary, Susan L.; Aminpour, Mohammad A.; Knight, Norman F., Jr.

1992-01-01

Computational methods for global/local analysis of structures which include both uncoupled and coupled methods are described. In addition, global/local analysis methodology for automatic refinement of incompatible global and local finite element models is developed. Representative structural analysis problems are presented to demonstrate the global/local analysis methods.

Computational flow development for unsteady viscous flows: Foundation of the numerical method

NASA Technical Reports Server (NTRS)

Bratanow, T.; Spehert, T.

1978-01-01

A procedure is presented for effective consideration of viscous effects in computational development of high Reynolds number flows. The procedure is based on the interpretation of the Navier-Stokes equations as vorticity transport equations. The physics of the flow was represented in a form suitable for numerical analysis. Lighthill's concept for flow development for computational purposes was adapted. The vorticity transport equations were cast in a form convenient for computation. A statement for these equations was written using the method of weighted residuals and applying the Galerkin criterion. An integral representation of the induced velocity was applied on the basis of the Biot-Savart law. Distribution of new vorticity, produced at wing surfaces over small computational time intervals, was assumed to be confined to a thin region around the wing surfaces.

Summary of research in applied mathematics, numerical analysis, and computer sciences

NASA Technical Reports Server (NTRS)

1986-01-01

The major categories of current ICASE research programs addressed include: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effective numerical methods; computational problems in engineering and physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and computer systems and software, especially vector and parallel computers.

Hydrology Model Formulation within the Training Range Environmental Evaluation and Characterization System (TREECS)

DTIC Science & Technology

2014-02-01

Potential evapotranspiration is computed using the Thornthwaite Method. Infiltration is computed from a water balance. DISCLAIMER: The contents of...precipitation, rainfall, runoff, evapotranspiration , infiltration, and number of days with rainfall. A hydrology model was developed to estimate...temperatures. Potential evapotranspiration (PET) is computed using the Thornthwaite Method. Actual evapotranspiration (ET) and infiltration are computed from a

Acoustic radiosity for computation of sound fields in diffuse environments

NASA Astrophysics Data System (ADS)

Muehleisen, Ralph T.; Beamer, C. Walter

2002-05-01

The use of image and ray tracing methods (and variations thereof) for the computation of sound fields in rooms is relatively well developed. In their regime of validity, both methods work well for prediction in rooms with small amounts of diffraction and mostly specular reflection at the walls. While extensions to the method to include diffuse reflections and diffraction have been made, they are limited at best. In the fields of illumination and computer graphics the ray tracing and image methods are joined by another method called luminous radiative transfer or radiosity. In radiosity, an energy balance between surfaces is computed assuming diffuse reflection at the reflective surfaces. Because the interaction between surfaces is constant, much of the computation required for sound field prediction with multiple or moving source and receiver positions can be reduced. In acoustics the radiosity method has had little attention because of the problems of diffraction and specular reflection. The utility of radiosity in acoustics and an approach to a useful development of the method for acoustics will be presented. The method looks especially useful for sound level prediction in industrial and office environments. [Work supported by NSF.

A hybrid method for the computation of quasi-3D seismograms.

NASA Astrophysics Data System (ADS)

Masson, Yder; Romanowicz, Barbara

2013-04-01

The development of powerful computer clusters and efficient numerical computation methods, such as the Spectral Element Method (SEM) made possible the computation of seismic wave propagation in a heterogeneous 3D earth. However, the cost of theses computations is still problematic for global scale tomography that requires hundreds of such simulations. Part of the ongoing research effort is dedicated to the development of faster modeling methods based on the spectral element method. Capdeville et al. (2002) proposed to couple SEM simulations with normal modes calculation (C-SEM). Nissen-Meyer et al. (2007) used 2D SEM simulations to compute 3D seismograms in a 1D earth model. Thanks to these developments, and for the first time, Lekic et al. (2011) developed a 3D global model of the upper mantle using SEM simulations. At the local and continental scale, adjoint tomography that is using a lot of SEM simulation can be implemented on current computers (Tape, Liu et al. 2009). Due to their smaller size, these models offer higher resolution. They provide us with images of the crust and the upper part of the mantle. In an attempt to teleport such local adjoint tomographic inversions into the deep earth, we are developing a hybrid method where SEM computation are limited to a region of interest within the earth. That region can have an arbitrary shape and size. Outside this region, the seismic wavefield is extrapolated to obtain synthetic data at the Earth's surface. A key feature of the method is the use of a time reversal mirror to inject the wavefield induced by distant seismic source into the region of interest (Robertsson and Chapman 2000). We compute synthetic seismograms as follow: Inside the region of interest, we are using regional spectral element software RegSEM to compute wave propagation in 3D. Outside this region, the wavefield is extrapolated to the surface by convolution with the Green's functions from the mirror to the seismic stations. For now, these Green's functions are computed using 2D SEM simulation in a 1D Earth model. Such seismograms account for the 3D structure inside the region of interest in a quasi-exact manner. Later we plan to extrapolate the misfit function computed from such seismograms at the stations back into the SEM region in order to compute local adjoint kernels. This opens a new path toward regional adjoint tomography into the deep Earth. Capdeville, Y., et al. (2002). "Coupling the spectral element method with a modal solution for elastic wave propagation in global Earth models." Geophysical Journal International 152(1): 34-67. Lekic, V. and B. Romanowicz (2011). "Inferring upper-mantle structure by full waveform tomography with the spectral element method." Geophysical Journal International 185(2): 799-831. Nissen-Meyer, T., et al. (2007). "A two-dimensional spectral-element method for computing spherical-earth seismograms-I. Moment-tensor source." Geophysical Journal International 168(3): 1067-1092. Robertsson, J. O. A. and C. H. Chapman (2000). "An efficient method for calculating finite-difference seismograms after model alterations." Geophysics 65(3): 907-918. Tape, C., et al. (2009). "Adjoint tomography of the southern California crust." Science 325(5943): 988-992.

Interfacial gauge methods for incompressible fluid dynamics

DOE PAGES

Saye, R.

2016-06-10

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of "gauge freedom" to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work,more » high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena.« less

Solution of partial differential equations on vector and parallel computers

NASA Technical Reports Server (NTRS)

Ortega, J. M.; Voigt, R. G.

1985-01-01

The present status of numerical methods for partial differential equations on vector and parallel computers was reviewed. The relevant aspects of these computers are discussed and a brief review of their development is included, with particular attention paid to those characteristics that influence algorithm selection. Both direct and iterative methods are given for elliptic equations as well as explicit and implicit methods for initial boundary value problems. The intent is to point out attractive methods as well as areas where this class of computer architecture cannot be fully utilized because of either hardware restrictions or the lack of adequate algorithms. Application areas utilizing these computers are briefly discussed.

Organization of the secure distributed computing based on multi-agent system

NASA Astrophysics Data System (ADS)

Khovanskov, Sergey; Rumyantsev, Konstantin; Khovanskova, Vera

2018-04-01

Nowadays developing methods for distributed computing is received much attention. One of the methods of distributed computing is using of multi-agent systems. The organization of distributed computing based on the conventional network computers can experience security threats performed by computational processes. Authors have developed the unified agent algorithm of control system of computing network nodes operation. Network PCs is used as computing nodes. The proposed multi-agent control system for the implementation of distributed computing allows in a short time to organize using of the processing power of computers any existing network to solve large-task by creating a distributed computing. Agents based on a computer network can: configure a distributed computing system; to distribute the computational load among computers operated agents; perform optimization distributed computing system according to the computing power of computers on the network. The number of computers connected to the network can be increased by connecting computers to the new computer system, which leads to an increase in overall processing power. Adding multi-agent system in the central agent increases the security of distributed computing. This organization of the distributed computing system reduces the problem solving time and increase fault tolerance (vitality) of computing processes in a changing computing environment (dynamic change of the number of computers on the network). Developed a multi-agent system detects cases of falsification of the results of a distributed system, which may lead to wrong decisions. In addition, the system checks and corrects wrong results.

Software Reuse Methods to Improve Technological Infrastructure for e-Science

NASA Technical Reports Server (NTRS)

Marshall, James J.; Downs, Robert R.; Mattmann, Chris A.

2011-01-01

Social computing has the potential to contribute to scientific research. Ongoing developments in information and communications technology improve capabilities for enabling scientific research, including research fostered by social computing capabilities. The recent emergence of e-Science practices has demonstrated the benefits from improvements in the technological infrastructure, or cyber-infrastructure, that has been developed to support science. Cloud computing is one example of this e-Science trend. Our own work in the area of software reuse offers methods that can be used to improve new technological development, including cloud computing capabilities, to support scientific research practices. In this paper, we focus on software reuse and its potential to contribute to the development and evaluation of information systems and related services designed to support new capabilities for conducting scientific research.

The Ulam Index: Methods of Theoretical Computer Science Help in Identifying Chemical Substances

NASA Technical Reports Server (NTRS)

Beltran, Adriana; Salvador, James

1997-01-01

In this paper, we show how methods developed for solving a theoretical computer problem of graph isomorphism are used in structural chemistry. We also discuss potential applications of these methods to exobiology: the search for life outside Earth.

Development of numerical methods for overset grids with applications for the integrated Space Shuttle vehicle

NASA Technical Reports Server (NTRS)

Chan, William M.

1995-01-01

Algorithms and computer code developments were performed for the overset grid approach to solving computational fluid dynamics problems. The techniques developed are applicable to compressible Navier-Stokes flow for any general complex configurations. The computer codes developed were tested on different complex configurations with the Space Shuttle launch vehicle configuration as the primary test bed. General, efficient and user-friendly codes were produced for grid generation, flow solution and force and moment computation.

An XML-based method for astronomy software designing

NASA Astrophysics Data System (ADS)

Liao, Mingxue; Aili, Yusupu; Zhang, Jin

XML-based method for standardization of software designing is introduced and analyzed and successfully applied to renovating the hardware and software of the digital clock at Urumqi Astronomical Station. Basic strategy for eliciting time information from the new digital clock of FT206 in the antenna control program is introduced. By FT206, the need to compute how many centuries passed since a certain day with sophisticated formulas is eliminated and it is no longer necessary to set right UT time for the computer holding control over antenna because the information about year, month, day are all deduced from Julian day dwelling in FT206, rather than from computer time. With XML-based method and standard for software designing, various existing designing methods are unified, communications and collaborations between developers are facilitated, and thus Internet-based mode of developing software becomes possible. The trend of development of XML-based designing method is predicted.

Computer program CDCID: an automated quality control program using CDC update

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singer, G.L.; Aguilar, F.

1984-04-01

A computer program, CDCID, has been developed in coordination with a quality control program to provide a highly automated method of documenting changes to computer codes at EG and G Idaho, Inc. The method uses the standard CDC UPDATE program in such a manner that updates and their associated documentation are easily made and retrieved in various formats. The method allows each card image of a source program to point to the document which describes it, who created the card, and when it was created. The method described is applicable to the quality control of computer programs in general. Themore » computer program described is executable only on CDC computing systems, but the program could be modified and applied to any computing system with an adequate updating program.« less

On the generalized VIP time integral methodology for transient thermal problems

NASA Technical Reports Server (NTRS)

Mei, Youping; Chen, Xiaoqin; Tamma, Kumar K.; Sha, Desong

1993-01-01

The paper describes the development and applicability of a generalized VIrtual-Pulse (VIP) time integral method of computation for thermal problems. Unlike past approaches for general heat transfer computations, and with the advent of high speed computing technology and the importance of parallel computations for efficient use of computing environments, a major motivation via the developments described in this paper is the need for developing explicit computational procedures with improved accuracy and stability characteristics. As a consequence, a new and effective VIP methodology is described which inherits these improved characteristics. Numerical illustrative examples are provided to demonstrate the developments and validate the results obtained for thermal problems.

Discovery and Development of ATP-Competitive mTOR Inhibitors Using Computational Approaches.

PubMed

Luo, Yao; Wang, Ling

2017-11-16

The mammalian target of rapamycin (mTOR) is a central controller of cell growth, proliferation, metabolism, and angiogenesis. This protein is an attractive target for new anticancer drug development. Significant progress has been made in hit discovery, lead optimization, drug candidate development and determination of the three-dimensional (3D) structure of mTOR. Computational methods have been applied to accelerate the discovery and development of mTOR inhibitors helping to model the structure of mTOR, screen compound databases, uncover structure-activity relationship (SAR) and optimize the hits, mine the privileged fragments and design focused libraries. Besides, computational approaches were also applied to study protein-ligand interactions mechanisms and in natural product-driven drug discovery. Herein, we survey the most recent progress on the application of computational approaches to advance the discovery and development of compounds targeting mTOR. Future directions in the discovery of new mTOR inhibitors using computational methods are also discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Fast methods to numerically integrate the Reynolds equation for gas fluid films

NASA Technical Reports Server (NTRS)

Dimofte, Florin

1992-01-01

The alternating direction implicit (ADI) method is adopted, modified, and applied to the Reynolds equation for thin, gas fluid films. An efficient code is developed to predict both the steady-state and dynamic performance of an aerodynamic journal bearing. An alternative approach is shown for hybrid journal gas bearings by using Liebmann's iterative solution (LIS) for elliptic partial differential equations. The results are compared with known design criteria from experimental data. The developed methods show good accuracy and very short computer running time in comparison with methods based on an inverting of a matrix. The computer codes need a small amount of memory and can be run on either personal computers or on mainframe systems.

Development of a computer technique for the prediction of transport aircraft flight profile sonic boom signatures. M.S. Thesis

NASA Technical Reports Server (NTRS)

Coen, Peter G.

1991-01-01

A new computer technique for the analysis of transport aircraft sonic boom signature characteristics was developed. This new technique, based on linear theory methods, combines the previously separate equivalent area and F function development with a signature propagation method using a single geometry description. The new technique was implemented in a stand-alone computer program and was incorporated into an aircraft performance analysis program. Through these implementations, both configuration designers and performance analysts are given new capabilities to rapidly analyze an aircraft's sonic boom characteristics throughout the flight envelope.

Computational drug discovery

PubMed Central

Ou-Yang, Si-sheng; Lu, Jun-yan; Kong, Xiang-qian; Liang, Zhong-jie; Luo, Cheng; Jiang, Hualiang

2012-01-01

Computational drug discovery is an effective strategy for accelerating and economizing drug discovery and development process. Because of the dramatic increase in the availability of biological macromolecule and small molecule information, the applicability of computational drug discovery has been extended and broadly applied to nearly every stage in the drug discovery and development workflow, including target identification and validation, lead discovery and optimization and preclinical tests. Over the past decades, computational drug discovery methods such as molecular docking, pharmacophore modeling and mapping, de novo design, molecular similarity calculation and sequence-based virtual screening have been greatly improved. In this review, we present an overview of these important computational methods, platforms and successful applications in this field. PMID:22922346

Parallel algorithms for computation of the manipulator inertia matrix

NASA Technical Reports Server (NTRS)

Amin-Javaheri, Masoud; Orin, David E.

1989-01-01

The development of an O(log2N) parallel algorithm for the manipulator inertia matrix is presented. It is based on the most efficient serial algorithm which uses the composite rigid body method. Recursive doubling is used to reformulate the linear recurrence equations which are required to compute the diagonal elements of the matrix. It results in O(log2N) levels of computation. Computation of the off-diagonal elements involves N linear recurrences of varying-size and a new method, which avoids redundant computation of position and orientation transforms for the manipulator, is developed. The O(log2N) algorithm is presented in both equation and graphic forms which clearly show the parallelism inherent in the algorithm.

A new computational strategy for identifying essential proteins based on network topological properties and biological information.

PubMed

Qin, Chao; Sun, Yongqi; Dong, Yadong

2017-01-01

Essential proteins are the proteins that are indispensable to the survival and development of an organism. Deleting a single essential protein will cause lethality or infertility. Identifying and analysing essential proteins are key to understanding the molecular mechanisms of living cells. There are two types of methods for predicting essential proteins: experimental methods, which require considerable time and resources, and computational methods, which overcome the shortcomings of experimental methods. However, the prediction accuracy of computational methods for essential proteins requires further improvement. In this paper, we propose a new computational strategy named CoTB for identifying essential proteins based on a combination of topological properties, subcellular localization information and orthologous protein information. First, we introduce several topological properties of the protein-protein interaction (PPI) network. Second, we propose new methods for measuring orthologous information and subcellular localization and a new computational strategy that uses a random forest prediction model to obtain a probability score for the proteins being essential. Finally, we conduct experiments on four different Saccharomyces cerevisiae datasets. The experimental results demonstrate that our strategy for identifying essential proteins outperforms traditional computational methods and the most recently developed method, SON. In particular, our strategy improves the prediction accuracy to 89, 78, 79, and 85 percent on the YDIP, YMIPS, YMBD and YHQ datasets at the top 100 level, respectively.

Prediction of intestinal absorption and blood-brain barrier penetration by computational methods.

PubMed

Clark, D E

2001-09-01

This review surveys the computational methods that have been developed with the aim of identifying drug candidates likely to fail later on the road to market. The specifications for such computational methods are outlined, including factors such as speed, interpretability, robustness and accuracy. Then, computational filters aimed at predicting "drug-likeness" in a general sense are discussed before methods for the prediction of more specific properties--intestinal absorption and blood-brain barrier penetration--are reviewed. Directions for future research are discussed and, in concluding, the impact of these methods on the drug discovery process, both now and in the future, is briefly considered.

Developing a multimodal biometric authentication system using soft computing methods.

PubMed

Malcangi, Mario

2015-01-01

Robust personal authentication is becoming ever more important in computer-based applications. Among a variety of methods, biometric offers several advantages, mainly in embedded system applications. Hard and soft multi-biometric, combined with hard and soft computing methods, can be applied to improve the personal authentication process and to generalize the applicability. This chapter describes the embedded implementation of a multi-biometric (voiceprint and fingerprint) multimodal identification system based on hard computing methods (DSP) for feature extraction and matching, an artificial neural network (ANN) for soft feature pattern matching, and a fuzzy logic engine (FLE) for data fusion and decision.

Fast Multipole Methods for Three-Dimensional N-body Problems

NASA Technical Reports Server (NTRS)

Koumoutsakos, P.

1995-01-01

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Current implementation and future plans on new code architecture, programming language and user interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brun, B.

1997-07-01

Computer technology has improved tremendously during the last years with larger media capacity, memory and more computational power. Visual computing with high-performance graphic interface and desktop computational power have changed the way engineers accomplish everyday tasks, development and safety studies analysis. The emergence of parallel computing will permit simulation over a larger domain. In addition, new development methods, languages and tools have appeared in the last several years.

Advanced ballistic range technology

NASA Technical Reports Server (NTRS)

Yates, Leslie A.

1994-01-01

The research conducted supported two facilities at NASA Ames Research Center: the Hypervelocity Free-Flight Aerodynamic Facility and the 16-Inch Shock Tunnel. During the grant period, a computerized film-reading system was developed, and five- and six-degree-of-freedom parameter-identification routines were written and successfully implemented. Studies of flow separation were conducted, and methods to extract phase shift information from finite-fringe interferograms were developed. Methods for constructing optical images from Computational Fluid Dynamics solutions were also developed, and these methods were used for one-to-one comparisons of experiment and computations.

Free-wake computation of helicopter rotor flowfields in forward flight

NASA Technical Reports Server (NTRS)

Ramachandran, K.; Schlechtriem, S.; Caradonna, F. X.; Steinhoff, John

1993-01-01

A new method has been developed for computing advancing rotor flows. This method uses the Vorticity Embedding technique, which has been developed and validated over the last several years for hovering rotor problems. In this work, the unsteady full potential equation is solved on an Eulerian grid with an embedded vortical velocity field. This vortical velocity accounts for the influence of the wake. Dynamic grid changes that are required to accommodate prescribed blade motion and deformation are included using a novel grid blending method. Free wake computations have been performed on a two-bladed AH-1G rotor at low advance ratios including blade motion. Computed results are compared with experimental data. The sudden variations in airloads due to blade-vortex interactions on the advancing and retreating sides are well captured. The sensitivity of the computed solution to various factors like core size, time step and grids has been investigated. Computed wake geometries and their influence on the aerodynamic loads at these advance ratios are also discussed.

Computer method for identification of boiler transfer functions

NASA Technical Reports Server (NTRS)

Miles, J. H.

1972-01-01

Iterative computer aided procedure was developed which provides for identification of boiler transfer functions using frequency response data. Method uses frequency response data to obtain satisfactory transfer function for both high and low vapor exit quality data.

How to select basis sets and computational methods for carbohydrate modeling

USDA-ARS?s Scientific Manuscript database

In the last decade there have been significant improvements in computer hardware but also in development of quantum mechanical methods. This makes it more feasible to study large carbohydrate molecules via quantum mechanical methods whereas in the past studies of carbohydrates were restricted to em...

The Use of Computer Simulation Gaming in Teaching Broadcast Economics.

ERIC Educational Resources Information Center

Mancuso, Louis C.

The purpose of this study was to develop a broadcast economic computer simulation and to ascertain how a lecture-computer simulation game compared as a teaching method with a more traditional lecture and case study instructional methods. In each of three sections of a broadcast economics course, a different teaching methodology was employed: (1)…

Distributed geospatial model sharing based on open interoperability standards

USGS Publications Warehouse

Feng, Min; Liu, Shuguang; Euliss, Ned H.; Fang, Yin

2009-01-01

Numerous geospatial computational models have been developed based on sound principles and published in journals or presented in conferences. However modelers have made few advances in the development of computable modules that facilitate sharing during model development or utilization. Constraints hampering development of model sharing technology includes limitations on computing, storage, and connectivity; traditional stand-alone and closed network systems cannot fully support sharing and integrating geospatial models. To address this need, we have identified methods for sharing geospatial computational models using Service Oriented Architecture (SOA) techniques and open geospatial standards. The service-oriented model sharing service is accessible using any tools or systems compliant with open geospatial standards, making it possible to utilize vast scientific resources available from around the world to solve highly sophisticated application problems. The methods also allow model services to be empowered by diverse computational devices and technologies, such as portable devices and GRID computing infrastructures. Based on the generic and abstract operations and data structures required for Web Processing Service (WPS) standards, we developed an interactive interface for model sharing to help reduce interoperability problems for model use. Geospatial computational models are shared on model services, where the computational processes provided by models can be accessed through tools and systems compliant with WPS. We developed a platform to help modelers publish individual models in a simplified and efficient way. Finally, we illustrate our technique using wetland hydrological models we developed for the prairie pothole region of North America.

An Overview of the Computational Physics and Methods Group at Los Alamos National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Randal Scott

CCS Division was formed to strengthen the visibility and impact of computer science and computational physics research on strategic directions for the Laboratory. Both computer science and computational science are now central to scientific discovery and innovation. They have become indispensable tools for all other scientific missions at the Laboratory. CCS Division forms a bridge between external partners and Laboratory programs, bringing new ideas and technologies to bear on today’s important problems and attracting high-quality technical staff members to the Laboratory. The Computational Physics and Methods Group CCS-2 conducts methods research and develops scientific software aimed at the latest andmore » emerging HPC systems.« less

An overview of computational simulation methods for composite structures failure and life analysis

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1993-01-01

Three parallel computational simulation methods are being developed at the LeRC Structural Mechanics Branch (SMB) for composite structures failure and life analysis: progressive fracture CODSTRAN; hierarchical methods for high-temperature composites; and probabilistic evaluation. Results to date demonstrate that these methods are effective in simulating composite structures failure/life/reliability.

ENFIN--A European network for integrative systems biology.

PubMed

Kahlem, Pascal; Clegg, Andrew; Reisinger, Florian; Xenarios, Ioannis; Hermjakob, Henning; Orengo, Christine; Birney, Ewan

2009-11-01

Integration of biological data of various types and the development of adapted bioinformatics tools represent critical objectives to enable research at the systems level. The European Network of Excellence ENFIN is engaged in developing an adapted infrastructure to connect databases, and platforms to enable both the generation of new bioinformatics tools and the experimental validation of computational predictions. With the aim of bridging the gap existing between standard wet laboratories and bioinformatics, the ENFIN Network runs integrative research projects to bring the latest computational techniques to bear directly on questions dedicated to systems biology in the wet laboratory environment. The Network maintains internally close collaboration between experimental and computational research, enabling a permanent cycling of experimental validation and improvement of computational prediction methods. The computational work includes the development of a database infrastructure (EnCORE), bioinformatics analysis methods and a novel platform for protein function analysis FuncNet.

Development of computational methods for unsteady aerodynamics at the NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Yates, E. Carson, Jr.; Whitlow, Woodrow, Jr.

1987-01-01

The current scope, recent progress, and plans for research and development of computational methods for unsteady aerodynamics at the NASA Langley Research Center are reviewed. Both integral equations and finite difference methods for inviscid and viscous flows are discussed. Although the great bulk of the effort has focused on finite difference solution of the transonic small perturbation equation, the integral equation program is given primary emphasis here because it is less well known.

Development of computational methods for unsteady aerodynamics at the NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Yates, E. Carson, Jr.; Whitlow, Woodrow, Jr.

1987-01-01

The current scope, recent progress, and plans for research and development of computational methods for unsteady aerodynamics at the NASA Langley Research Center are reviewed. Both integral-equations and finite-difference method for inviscid and viscous flows are discussed. Although the great bulk of the effort has focused on finite-difference solution of the transonic small-perturbation equation, the integral-equation program is given primary emphasis here because it is less well known.

Waveform inversion with source encoding for breast sound speed reconstruction in ultrasound computed tomography.

PubMed

Wang, Kun; Matthews, Thomas; Anis, Fatima; Li, Cuiping; Duric, Neb; Anastasio, Mark A

2015-03-01

Ultrasound computed tomography (USCT) holds great promise for improving the detection and management of breast cancer. Because they are based on the acoustic wave equation, waveform inversion-based reconstruction methods can produce images that possess improved spatial resolution properties over those produced by ray-based methods. However, waveform inversion methods are computationally demanding and have not been applied widely in USCT breast imaging. In this work, source encoding concepts are employed to develop an accelerated USCT reconstruction method that circumvents the large computational burden of conventional waveform inversion methods. This method, referred to as the waveform inversion with source encoding (WISE) method, encodes the measurement data using a random encoding vector and determines an estimate of the sound speed distribution by solving a stochastic optimization problem by use of a stochastic gradient descent algorithm. Both computer simulation and experimental phantom studies are conducted to demonstrate the use of the WISE method. The results suggest that the WISE method maintains the high spatial resolution of waveform inversion methods while significantly reducing the computational burden.

The ReaxFF reactive force-field: Development, applications, and future directions

DOE PAGES

Senftle, Thomas; Hong, Sungwook; Islam, Md Mahbubul; ...

2016-03-04

The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for exploring, developing and optimizing material properties. Methods based on the principles of quantum mechanics (QM), while offering valuable theoretical guidance at the electronic level, are often too computationally intense for simulations that consider the full dynamic evolution of a system. Alternatively, empirical interatomic potentials that are based on classical principles require significantly fewer computational resources, which enables simulations to better describe dynamic processes over longer timeframes and on larger scales. Such methods, however, typically require a predefined connectivity between atoms, precluding simulations that involve reactive events. The ReaxFFmore » method was developed to help bridge this gap. Approaching the gap from the classical side, ReaxFF casts the empirical interatomic potential within a bond-order formalism, thus implicitly describing chemical bonding without expensive QM calculations. As a result, this article provides an overview of the development, application, and future directions of the ReaxFF method.« less

A computational approach to estimate postmortem interval using opacity development of eye for human subjects.

PubMed

Cantürk, İsmail; Özyılmaz, Lale

2018-07-01

This paper presents an approach to postmortem interval (PMI) estimation, which is a very debated and complicated area of forensic science. Most of the reported methods to determine PMI in the literature are not practical because of the need for skilled persons and significant amounts of time, and give unsatisfactory results. Additionally, the error margin of PMI estimation increases proportionally with elapsed time after death. It is crucial to develop practical PMI estimation methods for forensic science. In this study, a computational system is developed to determine the PMI of human subjects by investigating postmortem opacity development of the eye. Relevant features from the eye images were extracted using image processing techniques to reflect gradual opacity development. The features were then investigated to predict the time after death using machine learning methods. The experimental results prove that the development of opacity can be utilized as a practical computational tool to determine PMI for human subjects. Copyright © 2018 Elsevier Ltd. All rights reserved.

Development and Validation of a New Fallout Transport Method Using Variable Spectral Winds

NASA Astrophysics Data System (ADS)

Hopkins, Arthur Thomas

A new method has been developed to incorporate variable winds into fallout transport calculations. The method uses spectral coefficients derived by the National Meteorological Center. Wind vector components are computed with the coefficients along the trajectories of falling particles. Spectral winds are used in the two-step method to compute dose rate on the ground, downwind of a nuclear cloud. First, the hotline is located by computing trajectories of particles from an initial, stabilized cloud, through spectral winds, to the ground. The connection of particle landing points is the hotline. Second, dose rate on and around the hotline is computed by analytically smearing the falling cloud's activity along the ground. The feasibility of using specgtral winds for fallout particle transport was validated by computing Mount St. Helens ashfall locations and comparing calculations to fallout data. In addition, an ashfall equation was derived for computing volcanic ash mass/area on the ground. Ashfall data and the ashfall equation were used to back-calculate an aggregated particle size distribution for the Mount St. Helens eruption cloud. Further validation was performed by comparing computed and actual trajectories of a high explosive dust cloud (DIRECT COURSE). Using an error propagation formula, it was determined that uncertainties in spectral wind components produce less than four percent of the total dose rate variance. In summary, this research demonstrated the feasibility of using spectral coefficients for fallout transport calculations, developed a two-step smearing model to treat variable winds, and showed that uncertainties in spectral winds do not contribute significantly to the error in computed dose rate.

MindEdit: A P300-based text editor for mobile devices.

PubMed

Elsawy, Amr S; Eldawlatly, Seif; Taher, Mohamed; Aly, Gamal M

2017-01-01

Practical application of Brain-Computer Interfaces (BCIs) requires that the whole BCI system be portable. The mobility of BCI systems involves two aspects: making the electroencephalography (EEG) recording devices portable, and developing software applications with low computational complexity to be able to run on low computational-power devices such as tablets and smartphones. This paper addresses the development of MindEdit; a P300-based text editor for Android-based devices. Given the limited resources of mobile devices and their limited computational power, a novel ensemble classifier is utilized that uses Principal Component Analysis (PCA) features to identify P300 evoked potentials from EEG recordings. PCA computations in the proposed method are channel-based as opposed to concatenating all channels as in traditional feature extraction methods; thus, this method has less computational complexity compared to traditional P300 detection methods. The performance of the method is demonstrated on data recorded from MindEdit on an Android tablet using the Emotiv wireless neuroheadset. Results demonstrate the capability of the introduced PCA ensemble classifier to classify P300 data with maximum average accuracy of 78.37±16.09% for cross-validation data and 77.5±19.69% for online test data using only 10 trials per symbol and a 33-character training dataset. Our analysis indicates that the introduced method outperforms traditional feature extraction methods. For a faster operation of MindEdit, a variable number of trials scheme is introduced that resulted in an online average accuracy of 64.17±19.6% and a maximum bitrate of 6.25bit/min. These results demonstrate the efficacy of using the developed BCI application with mobile devices. Copyright © 2016 Elsevier Ltd. All rights reserved.

Finite element analysis and computer graphics visualization of flow around pitching and plunging airfoils

NASA Technical Reports Server (NTRS)

Bratanow, T.; Ecer, A.

1973-01-01

A general computational method for analyzing unsteady flow around pitching and plunging airfoils was developed. The finite element method was applied in developing an efficient numerical procedure for the solution of equations describing the flow around airfoils. The numerical results were employed in conjunction with computer graphics techniques to produce visualization of the flow. The investigation involved mathematical model studies of flow in two phases: (1) analysis of a potential flow formulation and (2) analysis of an incompressible, unsteady, viscous flow from Navier-Stokes equations.

Semiannual report, 1 April - 30 September 1991

NASA Technical Reports Server (NTRS)

1991-01-01

The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software for parallel computers. Research in these areas is discussed.

A Modeling and Data Analysis of Laser Beam Propagation in the Maritime Domain

DTIC Science & Technology

2015-05-18

approach to computing pdfs is the Kernel Density Method (Reference [9] has an intro - duction to the method), which we will apply to compute the pdf of our...The project has two parts to it: 1) we present a computational analysis of different probability density function approximation techniques; and 2) we... computational analysis of different probability density function approximation techniques; and 2) we introduce preliminary steps towards developing a

Using technology to support investigations in the electronic age: tracking hackers to large scale international computer fraud

NASA Astrophysics Data System (ADS)

McFall, Steve

1994-03-01

With the increase in business automation and the widespread availability and low cost of computer systems, law enforcement agencies have seen a corresponding increase in criminal acts involving computers. The examination of computer evidence is a new field of forensic science with numerous opportunities for research and development. Research is needed to develop new software utilities to examine computer storage media, expert systems capable of finding criminal activity in large amounts of data, and to find methods of recovering data from chemically and physically damaged computer storage media. In addition, defeating encryption and password protection of computer files is also a topic requiring more research and development.

Rotor dynamic simulation and system identification methods for application to vacuum whirl data

NASA Technical Reports Server (NTRS)

Berman, A.; Giansante, N.; Flannelly, W. G.

1980-01-01

Methods of using rotor vacuum whirl data to improve the ability to model helicopter rotors were developed. The work consisted of the formulation of the equations of motion of elastic blades on a hub using a Galerkin method; the development of a general computer program for simulation of these equations; the study and implementation of a procedure for determining physical parameters based on measured data; and the application of a method for computing the normal modes and natural frequencies based on test data.

An efficient method for computing unsteady transonic aerodynamics of swept wings with control surfaces

NASA Technical Reports Server (NTRS)

Liu, D. D.; Kao, Y. F.; Fung, K. Y.

1989-01-01

A transonic equivalent strip (TES) method was further developed for unsteady flow computations of arbitrary wing planforms. The TES method consists of two consecutive correction steps to a given nonlinear code such as LTRAN2; namely, the chordwise mean flow correction and the spanwise phase correction. The computation procedure requires direct pressure input from other computed or measured data. Otherwise, it does not require airfoil shape or grid generation for given planforms. To validate the computed results, four swept wings of various aspect ratios, including those with control surfaces, are selected as computational examples. Overall trends in unsteady pressures are established with those obtained by XTRAN3S codes, Isogai's full potential code and measured data by NLR and RAE. In comparison with these methods, the TES has achieved considerable saving in computer time and reasonable accuracy which suggests immediate industrial applications.

Marc Henry de Frahan | NREL

Science.gov Websites

Computing Project, Marc develops high-fidelity turbulence models to enhance simulation accuracy and efficient numerical algorithms for future high performance computing hardware architectures. Research Interests High performance computing High order numerical methods for computational fluid dynamics Fluid

Variable-Complexity Multidisciplinary Optimization on Parallel Computers

NASA Technical Reports Server (NTRS)

Grossman, Bernard; Mason, William H.; Watson, Layne T.; Haftka, Raphael T.

1998-01-01

This report covers work conducted under grant NAG1-1562 for the NASA High Performance Computing and Communications Program (HPCCP) from December 7, 1993, to December 31, 1997. The objective of the research was to develop new multidisciplinary design optimization (MDO) techniques which exploit parallel computing to reduce the computational burden of aircraft MDO. The design of the High-Speed Civil Transport (HSCT) air-craft was selected as a test case to demonstrate the utility of our MDO methods. The three major tasks of this research grant included: development of parallel multipoint approximation methods for the aerodynamic design of the HSCT, use of parallel multipoint approximation methods for structural optimization of the HSCT, mathematical and algorithmic development including support in the integration of parallel computation for items (1) and (2). These tasks have been accomplished with the development of a response surface methodology that incorporates multi-fidelity models. For the aerodynamic design we were able to optimize with up to 20 design variables using hundreds of expensive Euler analyses together with thousands of inexpensive linear theory simulations. We have thereby demonstrated the application of CFD to a large aerodynamic design problem. For the predicting structural weight we were able to combine hundreds of structural optimizations of refined finite element models with thousands of optimizations based on coarse models. Computations have been carried out on the Intel Paragon with up to 128 nodes. The parallel computation allowed us to perform combined aerodynamic-structural optimization using state of the art models of a complex aircraft configurations.

Methods and computer program documentation for determining anisotropic transmissivity tensor components of two-dimensional ground-water flow

USGS Publications Warehouse

Maslia, M.L.; Randolph, R.B.

1986-01-01

The theory of anisotropic aquifer hydraulic properties and a computer program, written in Fortran 77, developed to compute the components of the anisotropic transmissivity tensor of two-dimensional groundwater flow are described. To determine the tensor components using one pumping well and three observation wells, the type-curve and straight-line approximation methods are developed. These methods are based on the equation of drawdown developed for two-dimensional nonsteady flow in an infinite anisotropic aquifer. To determine tensor components using more than three observation wells, a weighted least squares optimization procedure is described for use with the type-curve and straight-line approximation methods. The computer program described in this report allows the type-curve, straight-line approximation, and weighted least squares optimization methods to be used in conjunction with data from observation and pumping wells. Three example applications using the computer program and field data gathered during geohydrologic investigations at a site near Dawsonville, Georgia , are provided to illustrate the use of the computer program. The example applications demonstrate the use of the type-curve method using three observation wells, the weighted least squares optimization method using eight observation wells and equal weighting, and the weighted least squares optimization method using eight observation wells and unequal weighting. Results obtained using the computer program indicate major transmissivity in the range of 347-296 sq ft/day, minor transmissivity in the range of 139-99 sq ft/day, aquifer anisotropy in the range of 3.54 to 2.14, principal direction of flow in the range of N. 45.9 degrees E. to N. 58.7 degrees E., and storage coefficient in the range of 0.0063 to 0.0037. The numerical results are in good agreement with field data gathered on the weathered crystalline rocks underlying the investigation site. Supplemental material provides definitions of variables, data requirements and corresponding formats, input data and output results for the example applications, and a listing of the Fortran 77 computer code. (Author 's abstract)

Development of X-TOOLSS: Preliminary Design of Space Systems Using Evolutionary Computation

NASA Technical Reports Server (NTRS)

Schnell, Andrew R.; Hull, Patrick V.; Turner, Mike L.; Dozier, Gerry; Alverson, Lauren; Garrett, Aaron; Reneau, Jarred

2008-01-01

Evolutionary computational (EC) techniques such as genetic algorithms (GA) have been identified as promising methods to explore the design space of mechanical and electrical systems at the earliest stages of design. In this paper the authors summarize their research in the use of evolutionary computation to develop preliminary designs for various space systems. An evolutionary computational solver developed over the course of the research, X-TOOLSS (Exploration Toolset for the Optimization of Launch and Space Systems) is discussed. With the success of early, low-fidelity example problems, an outline of work involving more computationally complex models is discussed.

Discovering Synergistic Drug Combination from a Computational Perspective.

PubMed

Ding, Pingjian; Luo, Jiawei; Liang, Cheng; Xiao, Qiu; Cao, Buwen; Li, Guanghui

2018-03-30

Synergistic drug combinations play an important role in the treatment of complex diseases. The identification of effective drug combination is vital to further reduce the side effects and improve therapeutic efficiency. In previous years, in vitro method has been the main route to discover synergistic drug combinations. However, many limitations of time and resource consumption lie within the in vitro method. Therefore, with the rapid development of computational models and the explosive growth of large and phenotypic data, computational methods for discovering synergistic drug combinations are an efficient and promising tool and contribute to precision medicine. It is the key of computational methods how to construct the computational model. Different computational strategies generate different performance. In this review, the recent advancements in computational methods for predicting effective drug combination are concluded from multiple aspects. First, various datasets utilized to discover synergistic drug combinations are summarized. Second, we discussed feature-based approaches and partitioned these methods into two classes including feature-based methods in terms of similarity measure, and feature-based methods in terms of machine learning. Third, we discussed network-based approaches for uncovering synergistic drug combinations. Finally, we analyzed and prospected computational methods for predicting effective drug combinations. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

CRCP-9: Improved Computer Program for Mechanistic Analysis of Continuously Reinforced Concrete Pavements

DOT National Transportation Integrated Search

2001-02-01

A new version of the CRCP computer program, CRCP-9, has been developed in this study. The numerical model of the CRC pavements was developed using finite element theories, the crack spacing prediction model was developed using the Monte Carlo method,...

Characterization of Meta-Materials Using Computational Electromagnetic Methods

NASA Technical Reports Server (NTRS)

Deshpande, Manohar; Shin, Joon

2005-01-01

An efficient and powerful computational method is presented to synthesize a meta-material to specified electromagnetic properties. Using the periodicity of meta-materials, the Finite Element Methodology (FEM) is developed to estimate the reflection and transmission through the meta-material structure for a normal plane wave incidence. For efficient computations of the reflection and transmission over a wide band frequency range through a meta-material a Finite Difference Time Domain (FDTD) approach is also developed. Using the Nicholson-Ross method and the Genetic Algorithms, a robust procedure to extract electromagnetic properties of meta-material from the knowledge of its reflection and transmission coefficients is described. Few numerical examples are also presented to validate the present approach.

The application of computer image analysis in life sciences and environmental engineering

NASA Astrophysics Data System (ADS)

Mazur, R.; Lewicki, A.; Przybył, K.; Zaborowicz, M.; Koszela, K.; Boniecki, P.; Mueller, W.; Raba, B.

2014-04-01

The main aim of the article was to present research on the application of computer image analysis in Life Science and Environmental Engineering. The authors used different methods of computer image analysis in developing of an innovative biotest in modern biomonitoring of water quality. Created tools were based on live organisms such as bioindicators Lemna minor L. and Hydra vulgaris Pallas as well as computer image analysis method in the assessment of negatives reactions during the exposition of the organisms to selected water toxicants. All of these methods belong to acute toxicity tests and are particularly essential in ecotoxicological assessment of water pollutants. Developed bioassays can be used not only in scientific research but are also applicable in environmental engineering and agriculture in the study of adverse effects on water quality of various compounds used in agriculture and industry.

Jennifer van Rij | NREL

Science.gov Websites

Jennifer.Vanrij@nrel.gov | 303-384-7180 Jennifer's expertise is in developing computational modeling methods for collaboratively developing numerical modeling methods to simulate the hydrodynamic, structural dynamic, power -elastic interactions. Her other diverse work experiences include developing numerical modeling methods for

Theoretical and experimental study of a new method for prediction of profile drag of airfoil sections

NASA Technical Reports Server (NTRS)

Goradia, S. H.; Lilley, D. E.

1975-01-01

Theoretical and experimental studies are described which were conducted for the purpose of developing a new generalized method for the prediction of profile drag of single component airfoil sections with sharp trailing edges. This method aims at solution for the flow in the wake from the airfoil trailing edge to the large distance in the downstream direction; the profile drag of the given airfoil section can then easily be obtained from the momentum balance once the shape of velocity profile at a large distance from the airfoil trailing edge has been computed. Computer program subroutines have been developed for the computation of the profile drag and flow in the airfoil wake on CDC6600 computer. The required inputs to the computer program consist of free stream conditions and the characteristics of the boundary layers at the airfoil trailing edge or at the point of incipient separation in the neighborhood of airfoil trailing edge. The method described is quite generalized and hence can be extended to the solution of the profile drag for multi-component airfoil sections.

Space-Time Conservation Element and Solution Element Method Being Developed

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Jorgenson, Philip C. E.; Loh, Ching-Yuen; Wang, Xiao-Yen; Yu, Sheng-Tao

1999-01-01

The engineering research and design requirements of today pose great computer-simulation challenges to engineers and scientists who are called on to analyze phenomena in continuum mechanics. The future will bring even more daunting challenges, when increasingly complex phenomena must be analyzed with increased accuracy. Traditionally used numerical simulation methods have evolved to their present state by repeated incremental extensions to broaden their scope. They are reaching the limits of their applicability and will need to be radically revised, at the very least, to meet future simulation challenges. At the NASA Lewis Research Center, researchers have been developing a new numerical framework for solving conservation laws in continuum mechanics, namely, the Space-Time Conservation Element and Solution Element Method, or the CE/SE method. This method has been built from fundamentals and is not a modification of any previously existing method. It has been designed with generality, simplicity, robustness, and accuracy as cornerstones. The CE/SE method has thus far been applied in the fields of computational fluid dynamics, computational aeroacoustics, and computational electromagnetics. Computer programs based on the CE/SE method have been developed for calculating flows in one, two, and three spatial dimensions. Results have been obtained for numerous problems and phenomena, including various shock-tube problems, ZND detonation waves, an implosion and explosion problem, shocks over a forward-facing step, a blast wave discharging from a nozzle, various acoustic waves, and shock/acoustic-wave interactions. The method can clearly resolve shock/acoustic-wave interactions, wherein the difference of the magnitude between the acoustic wave and shock could be up to six orders. In two-dimensional flows, the reflected shock is as crisp as the leading shock. CE/SE schemes are currently being used for advanced applications to jet and fan noise prediction and to chemically reacting flows.

Prototype of a computer method for designing and analyzing heating, ventilating and air conditioning proportional, electronic control systems

NASA Astrophysics Data System (ADS)

Barlow, Steven J.

1986-09-01

The Air Force needs a better method of designing new and retrofit heating, ventilating and air conditioning (HVAC) control systems. Air Force engineers currently use manual design/predict/verify procedures taught at the Air Force Institute of Technology, School of Civil Engineering, HVAC Control Systems course. These existing manual procedures are iterative and time-consuming. The objectives of this research were to: (1) Locate and, if necessary, modify an existing computer-based method for designing and analyzing HVAC control systems that is compatible with the HVAC Control Systems manual procedures, or (2) Develop a new computer-based method of designing and analyzing HVAC control systems that is compatible with the existing manual procedures. Five existing computer packages were investigated in accordance with the first objective: MODSIM (for modular simulation), HVACSIM (for HVAC simulation), TRNSYS (for transient system simulation), BLAST (for building load and system thermodynamics) and Elite Building Energy Analysis Program. None were found to be compatible or adaptable to the existing manual procedures, and consequently, a prototype of a new computer method was developed in accordance with the second research objective.

Fast sweeping methods for hyperbolic systems of conservation laws at steady state II

NASA Astrophysics Data System (ADS)

Engquist, Björn; Froese, Brittany D.; Tsai, Yen-Hsi Richard

2015-04-01

The idea of using fast sweeping methods for solving stationary systems of conservation laws has previously been proposed for efficiently computing solutions with sharp shocks. We further develop these methods to allow for a more challenging class of problems including problems with sonic points, shocks originating in the interior of the domain, rarefaction waves, and two-dimensional systems. We show that fast sweeping methods can produce higher-order accuracy. Computational results validate the claims of accuracy, sharp shock curves, and optimal computational efficiency.

An accurate computational method for the diffusion regime verification

NASA Astrophysics Data System (ADS)

Zhokh, Alexey A.; Strizhak, Peter E.

2018-04-01

The diffusion regime (sub-diffusive, standard, or super-diffusive) is defined by the order of the derivative in the corresponding transport equation. We develop an accurate computational method for the direct estimation of the diffusion regime. The method is based on the derivative order estimation using the asymptotic analytic solutions of the diffusion equation with the integer order and the time-fractional derivatives. The robustness and the computational cheapness of the proposed method are verified using the experimental methane and methyl alcohol transport kinetics through the catalyst pellet.

Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

NASA Technical Reports Server (NTRS)

Walitt, L.

1982-01-01

The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

Application of computational aerodynamics methods to the design and analysis of transport aircraft

NASA Technical Reports Server (NTRS)

Da Costa, A. L.

1978-01-01

The application and validation of several computational aerodynamic methods in the design and analysis of transport aircraft is established. An assessment is made concerning more recently developed methods that solve three-dimensional transonic flow and boundary layers on wings. Capabilities of subsonic aerodynamic methods are demonstrated by several design and analysis efforts. Among the examples cited are the B747 Space Shuttle Carrier Aircraft analysis, nacelle integration for transport aircraft, and winglet optimization. The accuracy and applicability of a new three-dimensional viscous transonic method is demonstrated by comparison of computed results to experimental data

Controller design via structural reduced modeling by FETM

NASA Technical Reports Server (NTRS)

Yousuff, Ajmal

1987-01-01

The Finite Element-Transfer Matrix (FETM) method has been developed to reduce the computations involved in analysis of structures. This widely accepted method, however, has certain limitations, and does not address the issues of control design. To overcome these, a modification of the FETM method has been developed. The new method easily produces reduced models tailored toward subsequent control design. Other features of this method are its ability to: (1) extract open loop frequencies and mode shapes with less computations, (2) overcome limitations of the original FETM method, and (3) simplify the design procedures for output feedback, constrained compensation, and decentralized control. This report presents the development of the new method, generation of reduced models by this method, their properties, and the role of these reduced models in control design. Examples are included to illustrate the methodology.

Implementation of radiation shielding calculation methods. Volume 1: Synopsis of methods and summary of results

NASA Technical Reports Server (NTRS)

Capo, M. A.; Disney, R. K.

1971-01-01

The work performed in the following areas is summarized: (1) Analysis of Realistic nuclear-propelled vehicle was analyzed using the Marshall Space Flight Center computer code package. This code package includes one and two dimensional discrete ordinate transport, point kernel, and single scatter techniques, as well as cross section preparation and data processing codes, (2) Techniques were developed to improve the automated data transfer in the coupled computation method of the computer code package and improve the utilization of this code package on the Univac-1108 computer system. (3) The MSFC master data libraries were updated.

A combined direct/inverse three-dimensional transonic wing design method for vector computers

NASA Technical Reports Server (NTRS)

Weed, R. A.; Carlson, L. A.; Anderson, W. K.

1984-01-01

A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

Automated Development of Accurate Algorithms and Efficient Codes for Computational Aeroacoustics

NASA Technical Reports Server (NTRS)

Goodrich, John W.; Dyson, Rodger W.

1999-01-01

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.

Multi-criteria decision making development of ion chromatographic method for determination of inorganic anions in oilfield waters based on artificial neural networks retention model.

PubMed

Stefanović, Stefica Cerjan; Bolanča, Tomislav; Luša, Melita; Ukić, Sime; Rogošić, Marko

2012-02-24

This paper describes the development of ad hoc methodology for determination of inorganic anions in oilfield water, since their composition often significantly differs from the average (concentration of components and/or matrix). Therefore, fast and reliable method development has to be performed in order to ensure the monitoring of desired properties under new conditions. The method development was based on computer assisted multi-criteria decision making strategy. The used criteria were: maximal value of objective functions used, maximal robustness of the separation method, minimal analysis time, and maximal retention distance between two nearest components. Artificial neural networks were used for modeling of anion retention. The reliability of developed method was extensively tested by the validation of performance characteristics. Based on validation results, the developed method shows satisfactory performance characteristics, proving the successful application of computer assisted methodology in the described case study. Copyright © 2011 Elsevier B.V. All rights reserved.

Controller design via structural reduced modeling by FETM

NASA Technical Reports Server (NTRS)

Yousuff, A.

1986-01-01

The Finite Element - Transfer Matrix (FETM) method has been developed to reduce the computations involved in analysis of structures. This widely accepted method, however, has certain limitations, and does not directly produce reduced models for control design. To overcome these shortcomings, a modification of FETM method has been developed. The modified FETM method easily produces reduced models that are tailored toward subsequent control design. Other features of this method are its ability to: (1) extract open loop frequencies and mode shapes with less computations, (2) overcome limitations of the original FETM method, and (3) simplify the procedures for output feedback, constrained compensation, and decentralized control. This semi annual report presents the development of the modified FETM, and through an example, illustrates its applicability to an output feedback and a decentralized control design.

Parallel computing works

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

An account of the Caltech Concurrent Computation Program (C{sup 3}P), a five year project that focused on answering the question: Can parallel computers be used to do large-scale scientific computations '' As the title indicates, the question is answered in the affirmative, by implementing numerous scientific applications on real parallel computers and doing computations that produced new scientific results. In the process of doing so, C{sup 3}P helped design and build several new computers, designed and implemented basic system software, developed algorithms for frequently used mathematical computations on massively parallel machines, devised performance models and measured the performance of manymore » computers, and created a high performance computing facility based exclusively on parallel computers. While the initial focus of C{sup 3}P was the hypercube architecture developed by C. Seitz, many of the methods developed and lessons learned have been applied successfully on other massively parallel architectures.« less

Development of an Innovative Algorithm for Aerodynamics-Structure Interaction Using Lattice Boltzmann Method

NASA Technical Reports Server (NTRS)

Mei, Ren-Wei; Shyy, Wei; Yu, Da-Zhi; Luo, Li-Shi; Rudy, David (Technical Monitor)

2001-01-01

The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is developed for inviscid compressible flows.

A rapid method for the computation of equilibrium chemical composition of air to 15000 K

NASA Technical Reports Server (NTRS)

Prabhu, Ramadas K.; Erickson, Wayne D.

1988-01-01

A rapid computational method has been developed to determine the chemical composition of equilibrium air to 15000 K. Eleven chemically reacting species, i.e., O2, N2, O, NO, N, NO+, e-, N+, O+, Ar, and Ar+ are included. The method involves combining algebraically seven nonlinear equilibrium equations and four linear elemental mass balance and charge neutrality equations. Computational speeds for determining the equilibrium chemical composition are significantly faster than the often used free energy minimization procedure. Data are also included from which the thermodynamic properties of air can be computed. A listing of the computer program together with a set of sample results are included.

Viscous wing theory development. Volume 2: GRUMWING computer program user's manual

NASA Technical Reports Server (NTRS)

Chow, R. R.; Ogilvie, P. L.

1986-01-01

This report is a user's manual which describes the operation of the computer program, GRUMWING. The program computes the viscous transonic flow over three-dimensional wings using a boundary layer type viscid-inviscid interaction approach. The inviscid solution is obtained by an approximate factorization (AFZ)method for the full potential equation. The boundary layer solution is based on integral entrainment methods.

Developing computer training programs for blood bankers.

PubMed

Eisenbrey, L

1992-01-01

Two surveys were conducted in July 1991 to gather information about computer training currently performed within American Red Cross Blood Services Regions. One survey was completed by computer trainers from software developer-vendors and regional centers. The second survey was directed to the trainees, to determine their perception of the computer training. The surveys identified the major concepts, length of training, evaluations, and methods of instruction used. Strengths and weaknesses of training programs were highlighted by trainee respondents. Using the survey information and other sources, recommendations (including those concerning which computer skills and tasks should be covered) are made that can be used as guidelines for developing comprehensive computer training programs at any blood bank or blood center.

A Different Approach to Have Science and Technology Student-Teachers Gain Varied Methods in Laboratory Applications: A Sample of Computer Assisted POE Application

ERIC Educational Resources Information Center

Saka, Arzu

2012-01-01

The purpose of this study is to develop a new approach and assess the application for the science and technology student-teachers to gain varied laboratory methods in science and technology teaching. It is also aimed to describe the computer-assisted POE application in the subject of "Photosynthesis-Light" developed in the context of…

Developing a 'personalome' for precision medicine: emerging methods that compute interpretable effect sizes from single-subject transcriptomes.

PubMed

Vitali, Francesca; Li, Qike; Schissler, A Grant; Berghout, Joanne; Kenost, Colleen; Lussier, Yves A

2017-12-18

The development of computational methods capable of analyzing -omics data at the individual level is critical for the success of precision medicine. Although unprecedented opportunities now exist to gather data on an individual's -omics profile ('personalome'), interpreting and extracting meaningful information from single-subject -omics remain underdeveloped, particularly for quantitative non-sequence measurements, including complete transcriptome or proteome expression and metabolite abundance. Conventional bioinformatics approaches have largely been designed for making population-level inferences about 'average' disease processes; thus, they may not adequately capture and describe individual variability. Novel approaches intended to exploit a variety of -omics data are required for identifying individualized signals for meaningful interpretation. In this review-intended for biomedical researchers, computational biologists and bioinformaticians-we survey emerging computational and translational informatics methods capable of constructing a single subject's 'personalome' for predicting clinical outcomes or therapeutic responses, with an emphasis on methods that provide interpretable readouts. (i) the single-subject analytics of the transcriptome shows the greatest development to date and, (ii) the methods were all validated in simulations, cross-validations or independent retrospective data sets. This survey uncovers a growing field that offers numerous opportunities for the development of novel validation methods and opens the door for future studies focusing on the interpretation of comprehensive 'personalomes' through the integration of multiple -omics, providing valuable insights into individual patient outcomes and treatments. © The Author 2017. Published by Oxford University Press.

Breast ultrasound computed tomography using waveform inversion with source encoding

NASA Astrophysics Data System (ADS)

Wang, Kun; Matthews, Thomas; Anis, Fatima; Li, Cuiping; Duric, Neb; Anastasio, Mark A.

2015-03-01

Ultrasound computed tomography (USCT) holds great promise for improving the detection and management of breast cancer. Because they are based on the acoustic wave equation, waveform inversion-based reconstruction methods can produce images that possess improved spatial resolution properties over those produced by ray-based methods. However, waveform inversion methods are computationally demanding and have not been applied widely in USCT breast imaging. In this work, source encoding concepts are employed to develop an accelerated USCT reconstruction method that circumvents the large computational burden of conventional waveform inversion methods. This method, referred to as the waveform inversion with source encoding (WISE) method, encodes the measurement data using a random encoding vector and determines an estimate of the speed-of-sound distribution by solving a stochastic optimization problem by use of a stochastic gradient descent algorithm. Computer-simulation studies are conducted to demonstrate the use of the WISE method. Using a single graphics processing unit card, each iteration can be completed within 25 seconds for a 128 × 128 mm2 reconstruction region. The results suggest that the WISE method maintains the high spatial resolution of waveform inversion methods while significantly reducing the computational burden.

A Design Science Research Methodology for Developing a Computer-Aided Assessment Approach Using Method Marking Concept

ERIC Educational Resources Information Center

Genemo, Hussein; Miah, Shah Jahan; McAndrew, Alasdair

2016-01-01

Assessment has been defined as an authentic method that plays an important role in evaluating students' learning attitude in acquiring lifelong knowledge. Traditional methods of assessment including the Computer-Aided Assessment (CAA) for mathematics show limited ability to assess students' full work unless multi-step questions are sub-divided…

On the use and computation of the Jordan canonical form in system theory

NASA Technical Reports Server (NTRS)

Sridhar, B.; Jordan, D.

1974-01-01

This paper investigates various aspects of the application of the Jordan canonical form of a matrix in system theory and develops a computational approach to determining the Jordan form for a given matrix. Applications include pole placement, controllability and observability studies, serving as an intermediate step in yielding other canonical forms, and theorem proving. The computational method developed in this paper is both simple and efficient. The method is based on the definition of a generalized eigenvector and a natural extension of Gauss elimination techniques. Examples are included for demonstration purposes.

Agile Development of Various Computational Power Adaptive Web-Based Mobile-Learning Software Using Mobile Cloud Computing

ERIC Educational Resources Information Center

Zadahmad, Manouchehr; Yousefzadehfard, Parisa

2016-01-01

Mobile Cloud Computing (MCC) aims to improve all mobile applications such as m-learning systems. This study presents an innovative method to use web technology and software engineering's best practices to provide m-learning functionalities hosted in a MCC-learning system as service. Components hosted by MCC are used to empower developers to create…

Geospatial Representation, Analysis and Computing Using Bandlimited Functions

DTIC Science & Technology

2010-02-19

navigation of aircraft and missiles require detailed representations of gravity and efficient methods for determining orbits and trajectories. However, many...efficient on today’s computers. Under this grant new, computationally efficient, localized representations of gravity have been developed and tested. As a...step in developing a new approach to estimating gravitational potentials, a multiresolution representation for gravity estimation has been proposed

Potential applications of computational fluid dynamics to biofluid analysis

NASA Technical Reports Server (NTRS)

Kwak, D.; Chang, J. L. C.; Rogers, S. E.; Rosenfeld, M.; Kwak, D.

1988-01-01

Computational fluid dynamics was developed to the stage where it has become an indispensable part of aerospace research and design. In view of advances made in aerospace applications, the computational approach can be used for biofluid mechanics research. Several flow simulation methods developed for aerospace problems are briefly discussed for potential applications to biofluids, especially to blood flow analysis.

Progress in Computational Electron-Molecule Collisions

NASA Astrophysics Data System (ADS)

Rescigno, Tn

1997-10-01

The past few years have witnessed tremendous progress in the development of sophisticated ab initio methods for treating collisions of slow electrons with isolated small molecules. Researchers in this area have benefited greatly from advances in computer technology; indeed, the advent of parallel computers has made it possible to carry out calculations at a level of sophistication inconceivable a decade ago. But bigger and faster computers are only part of the picture. Even with today's computers, the practical need to study electron collisions with the kinds of complex molecules and fragments encountered in real-world plasma processing environments is taxing present methods beyond their current capabilities. Since extrapolation of existing methods to handle increasingly larger targets will ultimately fail as it would require computational resources beyond any imagined, continued progress must also be linked to new theoretical developments. Some of the techniques recently introduced to address these problems will be discussed and illustrated with examples of electron-molecule collision calculations we have carried out on some fairly complex target gases encountered in processing plasmas. Electron-molecule scattering continues to pose many formidable theoretical and computational challenges. I will touch on some of the outstanding open questions.

Connecting the virtual world of computers to the real world of medicinal chemistry.

PubMed

Glen, Robert C

2011-03-01

Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature's most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.

A study of autonomous satellite navigation methods using the global positioning satellite system

NASA Technical Reports Server (NTRS)

Tapley, B. D.

1980-01-01

Special orbit determination algorithms were developed to accommodate the size and speed limitations of on-board computer systems of the NAVSTAR Global Positioning System. The algorithms use square root sequential filtering methods. A new method for the time update of the square root covariance matrix was also developed. In addition, the time update method was compared with another square root convariance propagation method to determine relative performance characteristics. Comparisions were based on the results of computer simulations of the LANDSAT-D satellite processing pseudo range and pseudo range-rate measurements from the phase one GPS. A summary of the comparison results is presented.

Reference Computational Meshing Strategy for Computational Fluid Dynamics Simulation of Departure from Nucleate BoilingReference Computational Meshing Strategy for Computational Fluid Dynamics Simulation of Departure from Nucleate Boiling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pointer, William David

The objective of this effort is to establish a strategy and process for generation of suitable computational mesh for computational fluid dynamics simulations of departure from nucleate boiling in a 5 by 5 fuel rod assembly held in place by PWR mixing vane spacer grids. This mesh generation process will support ongoing efforts to develop, demonstrate and validate advanced multi-phase computational fluid dynamics methods that enable more robust identification of dryout conditions and DNB occurrence.Building upon prior efforts and experience, multiple computational meshes were developed using the native mesh generation capabilities of the commercial CFD code STAR-CCM+. These meshes weremore » used to simulate two test cases from the Westinghouse 5 by 5 rod bundle facility. The sensitivity of predicted quantities of interest to the mesh resolution was then established using two evaluation methods, the Grid Convergence Index method and the Least Squares method. This evaluation suggests that the Least Squares method can reliably establish the uncertainty associated with local parameters such as vector velocity components at a point in the domain or surface averaged quantities such as outlet velocity magnitude. However, neither method is suitable for characterization of uncertainty in global extrema such as peak fuel surface temperature, primarily because such parameters are not necessarily associated with a fixed point in space. This shortcoming is significant because the current generation algorithm for identification of DNB event conditions relies on identification of such global extrema. Ongoing efforts to identify DNB based on local surface conditions will address this challenge« less

Progress and challenges in bioinformatics approaches for enhancer identification

PubMed Central

Kleftogiannis, Dimitrios; Kalnis, Panos

2016-01-01

Enhancers are cis-acting DNA elements that play critical roles in distal regulation of gene expression. Identifying enhancers is an important step for understanding distinct gene expression programs that may reflect normal and pathogenic cellular conditions. Experimental identification of enhancers is constrained by the set of conditions used in the experiment. This requires multiple experiments to identify enhancers, as they can be active under specific cellular conditions but not in different cell types/tissues or cellular states. This has opened prospects for computational prediction methods that can be used for high-throughput identification of putative enhancers to complement experimental approaches. Potential functions and properties of predicted enhancers have been catalogued and summarized in several enhancer-oriented databases. Because the current methods for the computational prediction of enhancers produce significantly different enhancer predictions, it will be beneficial for the research community to have an overview of the strategies and solutions developed in this field. In this review, we focus on the identification and analysis of enhancers by bioinformatics approaches. First, we describe a general framework for computational identification of enhancers, present relevant data types and discuss possible computational solutions. Next, we cover over 30 existing computational enhancer identification methods that were developed since 2000. Our review highlights advantages, limitations and potentials, while suggesting pragmatic guidelines for development of more efficient computational enhancer prediction methods. Finally, we discuss challenges and open problems of this topic, which require further consideration. PMID:26634919

Method to predict external store carriage characteristics at transonic speeds

NASA Technical Reports Server (NTRS)

Rosen, Bruce S.

1988-01-01

Development of a computational method for prediction of external store carriage characteristics at transonic speeds is described. The geometric flexibility required for treatment of pylon-mounted stores is achieved by computing finite difference solutions on a five-level embedded grid arrangement. A completely automated grid generation procedure facilitates applications. Store modeling capability consists of bodies of revolution with multiple fore and aft fins. A body-conforming grid improves the accuracy of the computed store body flow field. A nonlinear relaxation scheme developed specifically for modified transonic small disturbance flow equations enhances the method's numerical stability and accuracy. As a result, treatment of lower aspect ratio, more highly swept and tapered wings is possible. A limited supersonic freestream capability is also provided. Pressure, load distribution, and force/moment correlations show good agreement with experimental data for several test cases. A detailed computer program description for the Transonic Store Carriage Loads Prediction (TSCLP) Code is included.

A History of Computer Numerical Control.

ERIC Educational Resources Information Center

Haggen, Gilbert L.

Computer numerical control (CNC) has evolved from the first significant counting method--the abacus. Babbage had perhaps the greatest impact on the development of modern day computers with his analytical engine. Hollerith's functioning machine with punched cards was used in tabulating the 1890 U.S. Census. In order for computers to become a…

Technical Development and Application of Soft Computing in Agricultural and Biological Engineering

USDA-ARS?s Scientific Manuscript database

Soft computing is a set of “inexact” computing techniques, which are able to model and analyze very complex problems. For these complex problems, more conventional methods have not been able to produce cost-effective, analytical, or complete solutions. Soft computing has been extensively studied and...

Development of Soft Computing and Applications in Agricultural and Biological Engineering

USDA-ARS?s Scientific Manuscript database

Soft computing is a set of “inexact” computing techniques, which are able to model and analyze very complex problems. For these complex problems, more conventional methods have not been able to produce cost-effective, analytical, or complete solutions. Soft computing has been extensively studied and...

Software life cycle methodologies and environments

NASA Technical Reports Server (NTRS)

Fridge, Ernest

1991-01-01

Products of this project will significantly improve the quality and productivity of Space Station Freedom Program software processes by: improving software reliability and safety; and broadening the range of problems that can be solved with computational solutions. Projects brings in Computer Aided Software Engineering (CASE) technology for: Environments such as Engineering Script Language/Parts Composition System (ESL/PCS) application generator, Intelligent User Interface for cost avoidance in setting up operational computer runs, Framework programmable platform for defining process and software development work flow control, Process for bringing CASE technology into an organization's culture, and CLIPS/CLIPS Ada language for developing expert systems; and methodologies such as Method for developing fault tolerant, distributed systems and a method for developing systems for common sense reasoning and for solving expert systems problems when only approximate truths are known.

Computation of turbulent boundary layers on curved surfaces, 1 June 1975 - 31 January 1976

NASA Technical Reports Server (NTRS)

Wilcox, D. C.; Chambers, T. L.

1976-01-01

An accurate method was developed for predicting effects of streamline curvature and coordinate system rotation on turbulent boundary layers. A new two-equation model of turbulence was developed which serves as the basis of the study. In developing the new model, physical reasoning is combined with singular perturbation methods to develop a rational, physically-based set of equations which are, on the one hand, as accurate as mixing-length theory for equilibrium boundary layers and, on the other hand, suitable for computing effects of curvature and rotation. The equations are solved numerically for several boundary layer flows over plane and curved surfaces. For incompressible boundary layers, results of the computations are generally within 10% of corresponding experimental data. Somewhat larger discrepancies are noted for compressible applications.

Aeroacoustic Prediction Codes

NASA Technical Reports Server (NTRS)

Gliebe, P; Mani, R.; Shin, H.; Mitchell, B.; Ashford, G.; Salamah, S.; Connell, S.; Huff, Dennis (Technical Monitor)

2000-01-01

This report describes work performed on Contract NAS3-27720AoI 13 as part of the NASA Advanced Subsonic Transport (AST) Noise Reduction Technology effort. Computer codes were developed to provide quantitative prediction, design, and analysis capability for several aircraft engine noise sources. The objective was to provide improved, physics-based tools for exploration of noise-reduction concepts and understanding of experimental results. Methods and codes focused on fan broadband and 'buzz saw' noise and on low-emissions combustor noise and compliment work done by other contractors under the NASA AST program to develop methods and codes for fan harmonic tone noise and jet noise. The methods and codes developed and reported herein employ a wide range of approaches, from the strictly empirical to the completely computational, with some being semiempirical analytical, and/or analytical/computational. Emphasis was on capturing the essential physics while still considering method or code utility as a practical design and analysis tool for everyday engineering use. Codes and prediction models were developed for: (1) an improved empirical correlation model for fan rotor exit flow mean and turbulence properties, for use in predicting broadband noise generated by rotor exit flow turbulence interaction with downstream stator vanes: (2) fan broadband noise models for rotor and stator/turbulence interaction sources including 3D effects, noncompact-source effects. directivity modeling, and extensions to the rotor supersonic tip-speed regime; (3) fan multiple-pure-tone in-duct sound pressure prediction methodology based on computational fluid dynamics (CFD) analysis; and (4) low-emissions combustor prediction methodology and computer code based on CFD and actuator disk theory. In addition. the relative importance of dipole and quadrupole source mechanisms was studied using direct CFD source computation for a simple cascadeigust interaction problem, and an empirical combustor-noise correlation model was developed from engine acoustic test results. This work provided several insights on potential approaches to reducing aircraft engine noise. Code development is described in this report, and those insights are discussed.

A CUMULATIVE MIGRATION METHOD FOR COMPUTING RIGOROUS TRANSPORT CROSS SECTIONS AND DIFFUSION COEFFICIENTS FOR LWR LATTICES WITH MONTE CARLO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhaoyuan Liu; Kord Smith; Benoit Forget

2016-05-01

A new method for computing homogenized assembly neutron transport cross sections and dif- fusion coefficients that is both rigorous and computationally efficient is proposed in this paper. In the limit of a homogeneous hydrogen slab, the new method is equivalent to the long-used, and only-recently-published CASMO transport method. The rigorous method is used to demonstrate the sources of inaccuracy in the commonly applied “out-scatter” transport correction. It is also demonstrated that the newly developed method is directly applicable to lattice calculations per- formed by Monte Carlo and is capable of computing rigorous homogenized transport cross sections for arbitrarily heterogeneous lattices.more » Comparisons of several common transport cross section ap- proximations are presented for a simple problem of infinite medium hydrogen. The new method has also been applied in computing 2-group diffusion data for an actual PWR lattice from BEAVRS benchmark.« less

Moment method analysis of linearly tapered slot antennas: Low loss components for switched beam radiometers

NASA Technical Reports Server (NTRS)

Koeksal, Adnan; Trew, Robert J.; Kauffman, J. Frank

1992-01-01

A Moment Method Model for the radiation pattern characterization of single Linearly Tapered Slot Antennas (LTSA) in air or on a dielectric substrate is developed. This characterization consists of: (1) finding the radiated far-fields of the antenna; (2) determining the E-Plane and H-Plane beamwidths and sidelobe levels; and (3) determining the D-Plane beamwidth and cross polarization levels, as antenna parameters length, height, taper angle, substrate thickness, and the relative substrate permittivity vary. The LTSA geometry does not lend itself to analytical solution with the given parameter ranges. Therefore, a computer modeling scheme and a code are necessary to analyze the problem. This necessity imposes some further objectives or requirements on the solution method (modeling) and tool (computer code). These may be listed as follows: (1) a good approximation to the real antenna geometry; and (2) feasible computer storage and time requirements. According to these requirements, the work is concentrated on the development of efficient modeling schemes for these type of problems and on reducing the central processing unit (CPU) time required from the computer code. A Method of Moments (MoM) code is developed for the analysis of LTSA's within the parameter ranges given.

Development of a turbomachinery design optimization procedure using a multiple-parameter nonlinear perturbation method

NASA Technical Reports Server (NTRS)

Stahara, S. S.

1984-01-01

An investigation was carried out to complete the preliminary development of a combined perturbation/optimization procedure and associated computational code for designing optimized blade-to-blade profiles of turbomachinery blades. The overall purpose of the procedures developed is to provide demonstration of a rapid nonlinear perturbation method for minimizing the computational requirements associated with parametric design studies of turbomachinery flows. The method combines the multiple parameter nonlinear perturbation method, successfully developed in previous phases of this study, with the NASA TSONIC blade-to-blade turbomachinery flow solver, and the COPES-CONMIN optimization procedure into a user's code for designing optimized blade-to-blade surface profiles of turbomachinery blades. Results of several design applications and a documented version of the code together with a user's manual are provided.

Designing and Implementing a Computational Methods Course for Upper-level Undergraduates and Postgraduates in Atmospheric and Oceanic Sciences

NASA Astrophysics Data System (ADS)

Nelson, E.; L'Ecuyer, T. S.; Douglas, A.; Hansen, Z.

2017-12-01

In the modern computing age, scientists must utilize a wide variety of skills to carry out scientific research. Programming, including a focus on collaborative development, has become more prevalent in both academic and professional career paths. Faculty in the Department of Atmospheric and Oceanic Sciences at the University of Wisconsin—Madison recognized this need and recently approved a new course offering for undergraduates and postgraduates in computational methods that was first held in Spring 2017. Three programming languages were covered in the inaugural course semester and development themes such as modularization, data wrangling, and conceptual code models were woven into all of the sections. In this presentation, we will share successes and challenges in developing a research project-focused computational course that leverages hands-on computer laboratory learning and open-sourced course content. Improvements and changes in future iterations of the course based on the first offering will also be discussed.

Chemical calculations on Cray computers

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Schwenke, David W.

1989-01-01

The influence of recent developments in supercomputing on computational chemistry is discussed with particular reference to Cray computers and their pipelined vector/limited parallel architectures. After reviewing Cray hardware and software the performance of different elementary program structures are examined, and effective methods for improving program performance are outlined. The computational strategies appropriate for obtaining optimum performance in applications to quantum chemistry and dynamics are discussed. Finally, some discussion is given of new developments and future hardware and software improvements.

Accurate de novo design of hyperstable constrained peptides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhardwaj, Gaurav; Mulligan, Vikram Khipple; Bahl, Christopher D.

Covalently-crosslinked peptides present attractive opportunities for developing new therapeutics. Lying between small molecule and protein therapeutics in size, natural crosslinked peptides play critical roles in signaling, virulence and immunity. Engineering novel peptides with precise control over their three-dimensional structures is a significant challenge. Here we describe the development of computational methods for de novo design of conformationally-restricted peptides, and the use of these methods to design hyperstable disulfide-stabilized miniproteins, heterochiral peptides, and N-C cyclic peptides. Experimentally-determined X-ray and NMR structures for 12 of the designs are nearly identical to the computational models. The computational design methods and stable scaffolds providemore » the basis for a new generation of peptide-based drugs.« less

Membrane proteins structures: A review on computational modeling tools.

PubMed

Almeida, Jose G; Preto, Antonio J; Koukos, Panagiotis I; Bonvin, Alexandre M J J; Moreira, Irina S

2017-10-01

Membrane proteins (MPs) play diverse and important functions in living organisms. They constitute 20% to 30% of the known bacterial, archaean and eukaryotic organisms' genomes. In humans, their importance is emphasized as they represent 50% of all known drug targets. Nevertheless, experimental determination of their three-dimensional (3D) structure has proven to be both time consuming and rather expensive, which has led to the development of computational algorithms to complement the available experimental methods and provide valuable insights. This review highlights the importance of membrane proteins and how computational methods are capable of overcoming challenges associated with their experimental characterization. It covers various MP structural aspects, such as lipid interactions, allostery, and structure prediction, based on methods such as Molecular Dynamics (MD) and Machine-Learning (ML). Recent developments in algorithms, tools and hybrid approaches, together with the increase in both computational resources and the amount of available data have resulted in increasingly powerful and trustworthy approaches to model MPs. Even though MPs are elementary and important in nature, the determination of their 3D structure has proven to be a challenging endeavor. Computational methods provide a reliable alternative to experimental methods. In this review, we focus on computational techniques to determine the 3D structure of MP and characterize their binding interfaces. We also summarize the most relevant databases and software programs available for the study of MPs. Copyright © 2017 Elsevier B.V. All rights reserved.

Minimization search method for data inversion

NASA Technical Reports Server (NTRS)

Fymat, A. L.

1975-01-01

Technique has been developed for determining values of selected subsets of independent variables in mathematical formulations. Required computation time increases with first power of the number of variables. This is in contrast with classical minimization methods for which computational time increases with third power of the number of variables.

Development of Boundary Condition Independent Reduced Order Thermal Models using Proper Orthogonal Decomposition

NASA Astrophysics Data System (ADS)

Raghupathy, Arun; Ghia, Karman; Ghia, Urmila

2008-11-01

Compact Thermal Models (CTM) to represent IC packages has been traditionally developed using the DELPHI-based (DEvelopment of Libraries of PHysical models for an Integrated design) methodology. The drawbacks of this method are presented, and an alternative method is proposed. A reduced-order model that provides the complete thermal information accurately with less computational resources can be effectively used in system level simulations. Proper Orthogonal Decomposition (POD), a statistical method, can be used to reduce the order of the degree of freedom or variables of the computations for such a problem. POD along with the Galerkin projection allows us to create reduced-order models that reproduce the characteristics of the system with a considerable reduction in computational resources while maintaining a high level of accuracy. The goal of this work is to show that this method can be applied to obtain a boundary condition independent reduced-order thermal model for complex components. The methodology is applied to the 1D transient heat equation.

A linear decomposition method for large optimization problems. Blueprint for development

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, J.

1982-01-01

A method is proposed for decomposing large optimization problems encountered in the design of engineering systems such as an aircraft into a number of smaller subproblems. The decomposition is achieved by organizing the problem and the subordinated subproblems in a tree hierarchy and optimizing each subsystem separately. Coupling of the subproblems is accounted for by subsequent optimization of the entire system based on sensitivities of the suboptimization problem solutions at each level of the tree to variables of the next higher level. A formalization of the procedure suitable for computer implementation is developed and the state of readiness of the implementation building blocks is reviewed showing that the ingredients for the development are on the shelf. The decomposition method is also shown to be compatible with the natural human organization of the design process of engineering systems. The method is also examined with respect to the trends in computer hardware and software progress to point out that its efficiency can be amplified by network computing using parallel processors.

Development of an efficient procedure for calculating the aerodynamic effects of planform variation

NASA Technical Reports Server (NTRS)

Mercer, J. E.; Geller, E. W.

1981-01-01

Numerical procedures to compute gradients in aerodynamic loading due to planform shape changes using panel method codes were studied. Two procedures were investigated: one computed the aerodynamic perturbation directly; the other computed the aerodynamic loading on the perturbed planform and on the base planform and then differenced these values to obtain the perturbation in loading. It is indicated that computing the perturbed values directly can not be done satisfactorily without proper aerodynamic representation of the pressure singularity at the leading edge of a thin wing. For the alternative procedure, a technique was developed which saves most of the time-consuming computations from a panel method calculation for the base planform. Using this procedure the perturbed loading can be calculated in about one-tenth the time of that for the base solution.

Improved Collision-Detection Method for Robotic Manipulator

NASA Technical Reports Server (NTRS)

Leger, Chris

2003-01-01

An improved method has been devised for the computational prediction of a collision between (1) a robotic manipulator and (2) another part of the robot or an external object in the vicinity of the robot. The method is intended to be used to test commanded manipulator trajectories in advance so that execution of the commands can be stopped before damage is done. The method involves utilization of both (1) mathematical models of the robot and its environment constructed manually prior to operation and (2) similar models constructed automatically from sensory data acquired during operation. The representation of objects in this method is simpler and more efficient (with respect to both computation time and computer memory), relative to the representations used in most prior methods. The present method was developed especially for use on a robotic land vehicle (rover) equipped with a manipulator arm and a vision system that includes stereoscopic electronic cameras. In this method, objects are represented and collisions detected by use of a previously developed technique known in the art as the method of oriented bounding boxes (OBBs). As the name of this technique indicates, an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs), as in the example of Figure 1. Unlike prior methods, the OBB/OBP method does not require any divisions or transcendental functions; this feature leads to greater robustness and numerical accuracy. The OBB/OBP method was selected for incorporation into the present method because it offers the best compromise between accuracy on the one hand and computational efficiency (and thus computational speed) on the other hand.

Computational Methods in Drug Discovery

PubMed Central

Sliwoski, Gregory; Kothiwale, Sandeepkumar; Meiler, Jens

2014-01-01

Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Structure-based approaches include ligand docking, pharmacophore, and ligand design methods. The article discusses theory behind the most important methods and recent successful applications. Ligand-based methods use only ligand information for predicting activity depending on its similarity/dissimilarity to previously known active ligands. We review widely used ligand-based methods such as ligand-based pharmacophores, molecular descriptors, and quantitative structure-activity relationships. In addition, important tools such as target/ligand data bases, homology modeling, ligand fingerprint methods, etc., necessary for successful implementation of various computer-aided drug discovery/design methods in a drug discovery campaign are discussed. Finally, computational methods for toxicity prediction and optimization for favorable physiologic properties are discussed with successful examples from literature. PMID:24381236

A Novel College Network Resource Management Method using Cloud Computing

NASA Astrophysics Data System (ADS)

Lin, Chen

At present information construction of college mainly has construction of college networks and management information system; there are many problems during the process of information. Cloud computing is development of distributed processing, parallel processing and grid computing, which make data stored on the cloud, make software and services placed in the cloud and build on top of various standards and protocols, you can get it through all kinds of equipments. This article introduces cloud computing and function of cloud computing, then analyzes the exiting problems of college network resource management, the cloud computing technology and methods are applied in the construction of college information sharing platform.

A study of commuter airplane design optimization

NASA Technical Reports Server (NTRS)

Keppel, B. V.; Eysink, H.; Hammer, J.; Hawley, K.; Meredith, P.; Roskam, J.

1978-01-01

The usability of the general aviation synthesis program (GASP) was enhanced by the development of separate computer subroutines which can be added as a package to this assembly of computerized design methods or used as a separate subroutine program to compute the dynamic longitudinal, lateral-directional stability characteristics for a given airplane. Currently available analysis methods were evaluated to ascertain those most appropriate for the design functions which the GASP computerized design program performs. Methods for providing proper constraint and/or analysis functions for GASP were developed as well as the appropriate subroutines.

Development of an E-Prime Based Computer Simulation of an Interactive Human Rights Violation Negotiation Script (Developpement d’un Programme de Simulation par Ordinateur Fonde sur le Logiciel E Prime pour la Negociation Interactive en cas de Violation des Droits de la Personne)

DTIC Science & Technology

2010-12-01

Base ( CFB ) Kingston. The computer simulation developed in this project is intended to be used for future research and as a possible training platform...DRDC Toronto No. CR 2010-055 Development of an E-Prime based computer simulation of an interactive Human Rights Violation negotiation script...Abstract This report describes the method of developing an E-Prime computer simulation of an interactive Human Rights Violation (HRV) negotiation. An

Oxygen Distributions—Evaluation of Computational Methods, Using a Stochastic Model for Large Tumour Vasculature, to Elucidate the Importance of Considering a Complete Vascular Network

PubMed Central

Bernhardt, Peter

2016-01-01

Purpose To develop a general model that utilises a stochastic method to generate a vessel tree based on experimental data, and an associated irregular, macroscopic tumour. These will be used to evaluate two different methods for computing oxygen distribution. Methods A vessel tree structure, and an associated tumour of 127 cm3, were generated, using a stochastic method and Bresenham’s line algorithm to develop trees on two different scales and fusing them together. The vessel dimensions were adjusted through convolution and thresholding and each vessel voxel was assigned an oxygen value. Diffusion and consumption were modelled using a Green’s function approach together with Michaelis-Menten kinetics. The computations were performed using a combined tree method (CTM) and an individual tree method (ITM). Five tumour sub-sections were compared, to evaluate the methods. Results The oxygen distributions of the same tissue samples, using different methods of computation, were considerably less similar (root mean square deviation, RMSD≈0.02) than the distributions of different samples using CTM (0.001< RMSD<0.01). The deviations of ITM from CTM increase with lower oxygen values, resulting in ITM severely underestimating the level of hypoxia in the tumour. Kolmogorov Smirnov (KS) tests showed that millimetre-scale samples may not represent the whole. Conclusions The stochastic model managed to capture the heterogeneous nature of hypoxic fractions and, even though the simplified computation did not considerably alter the oxygen distribution, it leads to an evident underestimation of tumour hypoxia, and thereby radioresistance. For a trustworthy computation of tumour oxygenation, the interaction between adjacent microvessel trees must not be neglected, why evaluation should be made using high resolution and the CTM, applied to the entire tumour. PMID:27861529

The Health Services Mobility Study Method of Task Analysis and Curriculum Design. Research Report No. 11. Volume 3: Using the Computer to Develop Job Ladders.

ERIC Educational Resources Information Center

Gilpatrick, Eleanor

This document is volume 3 of a four-volume report which describes the components of the Health Services Mobility Study (HSMS) method of task analysis, job ladder design, and curriculum development. Divided into four chapters, volume 3 is a manual for using HSMS computer based statistical procedures to design job structures and job ladders. Chapter…

Servo-controlling structure of five-axis CNC system for real-time NURBS interpolating

NASA Astrophysics Data System (ADS)

Chen, Liangji; Guo, Guangsong; Li, Huiying

2017-07-01

NURBS (Non-Uniform Rational B-Spline) is widely used in CAD/CAM (Computer-Aided Design / Computer-Aided Manufacturing) to represent sculptured curves or surfaces. In this paper, we develop a 5-axis NURBS real-time interpolator and realize it in our developing CNC(Computer Numerical Control) system. At first, we use two NURBS curves to represent tool-tip and tool-axis path respectively. According to feedrate and Taylor series extension, servo-controlling signals of 5 axes are obtained for each interpolating cycle. Then, generation procedure of NC(Numerical Control) code with the presented method is introduced and the method how to integrate the interpolator into our developing CNC system is given. And also, the servo-controlling structure of the CNC system is introduced. Through the illustration, it has been indicated that the proposed method can enhance the machining accuracy and the spline interpolator is feasible for 5-axis CNC system.

Statistical Methodologies to Integrate Experimental and Computational Research

NASA Technical Reports Server (NTRS)

Parker, P. A.; Johnson, R. T.; Montgomery, D. C.

2008-01-01

Development of advanced algorithms for simulating engine flow paths requires the integration of fundamental experiments with the validation of enhanced mathematical models. In this paper, we provide an overview of statistical methods to strategically and efficiently conduct experiments and computational model refinement. Moreover, the integration of experimental and computational research efforts is emphasized. With a statistical engineering perspective, scientific and engineering expertise is combined with statistical sciences to gain deeper insights into experimental phenomenon and code development performance; supporting the overall research objectives. The particular statistical methods discussed are design of experiments, response surface methodology, and uncertainty analysis and planning. Their application is illustrated with a coaxial free jet experiment and a turbulence model refinement investigation. Our goal is to provide an overview, focusing on concepts rather than practice, to demonstrate the benefits of using statistical methods in research and development, thereby encouraging their broader and more systematic application.

Computing discharge using the index velocity method

USGS Publications Warehouse

Levesque, Victor A.; Oberg, Kevin A.

2012-01-01

Application of the index velocity method for computing continuous records of discharge has become increasingly common, especially since the introduction of low-cost acoustic Doppler velocity meters (ADVMs) in 1997. Presently (2011), the index velocity method is being used to compute discharge records for approximately 470 gaging stations operated and maintained by the U.S. Geological Survey. The purpose of this report is to document and describe techniques for computing discharge records using the index velocity method. Computing discharge using the index velocity method differs from the traditional stage-discharge method by separating velocity and area into two ratings—the index velocity rating and the stage-area rating. The outputs from each of these ratings, mean channel velocity (V) and cross-sectional area (A), are then multiplied together to compute a discharge. For the index velocity method, V is a function of such parameters as streamwise velocity, stage, cross-stream velocity, and velocity head, and A is a function of stage and cross-section shape. The index velocity method can be used at locations where stage-discharge methods are used, but it is especially appropriate when more than one specific discharge can be measured for a specific stage. After the ADVM is selected, installed, and configured, the stage-area rating and the index velocity rating must be developed. A standard cross section is identified and surveyed in order to develop the stage-area rating. The standard cross section should be surveyed every year for the first 3 years of operation and thereafter at a lesser frequency, depending on the susceptibility of the cross section to change. Periodic measurements of discharge are used to calibrate and validate the index rating for the range of conditions experienced at the gaging station. Data from discharge measurements, ADVMs, and stage sensors are compiled for index-rating analysis. Index ratings are developed by means of regression techniques in which the mean cross-sectional velocity for the standard section is related to the measured index velocity. Most ratings are simple-linear regressions, but more complex ratings may be necessary in some cases. Once the rating is established, validation measurements should be made periodically. Over time, validation measurements may provide additional definition to the rating or result in the creation of a new rating. The computation of discharge is the last step in the index velocity method, and in some ways it is the most straight-forward step. This step differs little from the steps used to compute discharge records for stage-discharge gaging stations. The ratings are entered into database software used for records computation, and continuous records of discharge are computed.

The Effect of Instructional Method on Cardiopulmonary Resuscitation Skill Performance: A Comparison Between Instructor-Led Basic Life Support and Computer-Based Basic Life Support With Voice-Activated Manikin.

PubMed

Wilson-Sands, Cathy; Brahn, Pamela; Graves, Kristal

2015-01-01

Validating participants' ability to correctly perform cardiopulmonary resuscitation (CPR) skills during basic life support courses can be a challenge for nursing professional development specialists. This study compares two methods of basic life support training, instructor-led and computer-based learning with voice-activated manikins, to identify if one method is more effective for performance of CPR skills. The findings suggest that a computer-based learning course with voice-activated manikins is a more effective method of training for improved CPR performance.

Multifidelity Analysis and Optimization for Supersonic Design

NASA Technical Reports Server (NTRS)

Kroo, Ilan; Willcox, Karen; March, Andrew; Haas, Alex; Rajnarayan, Dev; Kays, Cory

2010-01-01

Supersonic aircraft design is a computationally expensive optimization problem and multifidelity approaches over a significant opportunity to reduce design time and computational cost. This report presents tools developed to improve supersonic aircraft design capabilities including: aerodynamic tools for supersonic aircraft configurations; a systematic way to manage model uncertainty; and multifidelity model management concepts that incorporate uncertainty. The aerodynamic analysis tools developed are appropriate for use in a multifidelity optimization framework, and include four analysis routines to estimate the lift and drag of a supersonic airfoil, a multifidelity supersonic drag code that estimates the drag of aircraft configurations with three different methods: an area rule method, a panel method, and an Euler solver. In addition, five multifidelity optimization methods are developed, which include local and global methods as well as gradient-based and gradient-free techniques.

High order filtering methods for approximating hyberbolic systems of conservation laws

NASA Technical Reports Server (NTRS)

Lafon, F.; Osher, S.

1990-01-01

In the computation of discontinuous solutions of hyperbolic systems of conservation laws, the recently developed essentially non-oscillatory (ENO) schemes appear to be very useful. However, they are computationally costly compared to simple central difference methods. A filtering method which is developed uses simple central differencing of arbitrarily high order accuracy, except when a novel local test indicates the development of spurious oscillations. At these points, the full ENO apparatus is used, maintaining the high order of accuracy, but removing spurious oscillations. Numerical results indicate the success of the method. High order of accuracy was obtained in regions of smooth flow without spurious oscillations for a wide range of problems and a significant speed up of generally a factor of almost three over the full ENO method.

Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

John, Christopher; Spura, Thomas; Habershon, Scott; Kühne, Thomas D.

2016-04-01

We present a simple and accurate computational method which facilitates ab initio path-integral molecular dynamics simulations, where the quantum-mechanical nature of the nuclei is explicitly taken into account, at essentially no additional computational cost in comparison to the corresponding calculation using classical nuclei. The predictive power of the proposed quantum ring-polymer contraction method is demonstrated by computing various static and dynamic properties of liquid water at ambient conditions using density functional theory. This development will enable routine inclusion of nuclear quantum effects in ab initio molecular dynamics simulations of condensed-phase systems.

Parallel computing of a climate model on the dawn 1000 by domain decomposition method

NASA Astrophysics Data System (ADS)

Bi, Xunqiang

1997-12-01

In this paper the parallel computing of a grid-point nine-level atmospheric general circulation model on the Dawn 1000 is introduced. The model was developed by the Institute of Atmospheric Physics (IAP), Chinese Academy of Sciences (CAS). The Dawn 1000 is a MIMD massive parallel computer made by National Research Center for Intelligent Computer (NCIC), CAS. A two-dimensional domain decomposition method is adopted to perform the parallel computing. The potential ways to increase the speed-up ratio and exploit more resources of future massively parallel supercomputation are also discussed.

The development and application of CFD technology in mechanical engineering

NASA Astrophysics Data System (ADS)

Wei, Yufeng

2017-12-01

Computational Fluid Dynamics (CFD) is an analysis of the physical phenomena involved in fluid flow and heat conduction by computer numerical calculation and graphical display. The numerical method simulates the complexity of the physical problem and the precision of the numerical solution, which is directly related to the hardware speed of the computer and the hardware such as memory. With the continuous improvement of computer performance and CFD technology, it has been widely applied to the field of water conservancy engineering, environmental engineering and industrial engineering. This paper summarizes the development process of CFD, the theoretical basis, the governing equations of fluid mechanics, and introduces the various methods of numerical calculation and the related development of CFD technology. Finally, CFD technology in the mechanical engineering related applications are summarized. It is hoped that this review will help researchers in the field of mechanical engineering.

Efficient sparse matrix-matrix multiplication for computing periodic responses by shooting method on Intel Xeon Phi

NASA Astrophysics Data System (ADS)

Stoykov, S.; Atanassov, E.; Margenov, S.

2016-10-01

Many of the scientific applications involve sparse or dense matrix operations, such as solving linear systems, matrix-matrix products, eigensolvers, etc. In what concerns structural nonlinear dynamics, the computations of periodic responses and the determination of stability of the solution are of primary interest. Shooting method iswidely used for obtaining periodic responses of nonlinear systems. The method involves simultaneously operations with sparse and dense matrices. One of the computationally expensive operations in the method is multiplication of sparse by dense matrices. In the current work, a new algorithm for sparse matrix by dense matrix products is presented. The algorithm takes into account the structure of the sparse matrix, which is obtained by space discretization of the nonlinear Mindlin's plate equation of motion by the finite element method. The algorithm is developed to use the vector engine of Intel Xeon Phi coprocessors. It is compared with the standard sparse matrix by dense matrix algorithm and the one developed by Intel MKL and it is shown that by considering the properties of the sparse matrix better algorithms can be developed.

Teaching Computer Literacy in an Elementary School: A Comparison of Two Methods Using Microcomputers. Report No. 81:18.

ERIC Educational Resources Information Center

Nordman, R.; Parker, J.

This report compares two methods of teaching BASIC programming used to develop computer literacy among children in grades three through seven in British Columbia. Phase one of the project was designed to instruct children in grades five to seven on the arithmetic operations of writing simple BASIC programs. Instructional methods included using job…

Development of a computer method for predicting lumber cutting yields.

Treesearch

Daniel E. Dunmire; George H. Englerth

1967-01-01

A system of locating defects in a board by intersecting coordinate points was developed and a computer program devised that used these points to locate all possible clear areas in the board. The computer determined the yields by placing any given size or sizes of cuttings in these clear areas, and furthermore stated the type, location, and number of saw cuts. The...

Development of an ADP Training Program to Serve the EPA Data Processing Community.

DTIC Science & Technology

1976-07-29

divide, compute , perform and alter statements; data representation and conversion; table processing; and indexed sequential and random access file...processing. The course workshop will include the testing of coded exercises and problems on a computer system. CLASS SIZE: Individualized METHODS/CONDUCT...familiarization with computer concepts will be helpful. OBJECTIVES OF CURRICULUM After completing this course, the student should have developed a working

A high precision extrapolation method in multiphase-field model for simulating dendrite growth

NASA Astrophysics Data System (ADS)

Yang, Cong; Xu, Qingyan; Liu, Baicheng

2018-05-01

The phase-field method coupling with thermodynamic data has become a trend for predicting the microstructure formation in technical alloys. Nevertheless, the frequent access to thermodynamic database and calculation of local equilibrium conditions can be time intensive. The extrapolation methods, which are derived based on Taylor expansion, can provide approximation results with a high computational efficiency, and have been proven successful in applications. This paper presents a high precision second order extrapolation method for calculating the driving force in phase transformation. To obtain the phase compositions, different methods in solving the quasi-equilibrium condition are tested, and the M-slope approach is chosen for its best accuracy. The developed second order extrapolation method along with the M-slope approach and the first order extrapolation method are applied to simulate dendrite growth in a Ni-Al-Cr ternary alloy. The results of the extrapolation methods are compared with the exact solution with respect to the composition profile and dendrite tip position, which demonstrate the high precision and efficiency of the newly developed algorithm. To accelerate the phase-field and extrapolation computation, the graphic processing unit (GPU) based parallel computing scheme is developed. The application to large-scale simulation of multi-dendrite growth in an isothermal cross-section has demonstrated the ability of the developed GPU-accelerated second order extrapolation approach for multiphase-field model.

A LSQR-type method provides a computationally efficient automated optimal choice of regularization parameter in diffuse optical tomography.

PubMed

Prakash, Jaya; Yalavarthy, Phaneendra K

2013-03-01

Developing a computationally efficient automated method for the optimal choice of regularization parameter in diffuse optical tomography. The least-squares QR (LSQR)-type method that uses Lanczos bidiagonalization is known to be computationally efficient in performing the reconstruction procedure in diffuse optical tomography. The same is effectively deployed via an optimization procedure that uses the simplex method to find the optimal regularization parameter. The proposed LSQR-type method is compared with the traditional methods such as L-curve, generalized cross-validation (GCV), and recently proposed minimal residual method (MRM)-based choice of regularization parameter using numerical and experimental phantom data. The results indicate that the proposed LSQR-type and MRM-based methods performance in terms of reconstructed image quality is similar and superior compared to L-curve and GCV-based methods. The proposed method computational complexity is at least five times lower compared to MRM-based method, making it an optimal technique. The LSQR-type method was able to overcome the inherent limitation of computationally expensive nature of MRM-based automated way finding the optimal regularization parameter in diffuse optical tomographic imaging, making this method more suitable to be deployed in real-time.

Aeroelasticity of wing and wing-body configurations on parallel computers

NASA Technical Reports Server (NTRS)

Byun, Chansup

1995-01-01

The objective of this research is to develop computationally efficient methods for solving aeroelasticity problems on parallel computers. Both uncoupled and coupled methods are studied in this research. For the uncoupled approach, the conventional U-g method is used to determine the flutter boundary. The generalized aerodynamic forces required are obtained by the pulse transfer-function analysis method. For the coupled approach, the fluid-structure interaction is obtained by directly coupling finite difference Euler/Navier-Stokes equations for fluids and finite element dynamics equations for structures. This capability will significantly impact many aerospace projects of national importance such as Advanced Subsonic Civil Transport (ASCT), where the structural stability margin becomes very critical at the transonic region. This research effort will have direct impact on the High Performance Computing and Communication (HPCC) Program of NASA in the area of parallel computing.

A computing method for spatial accessibility based on grid partition

NASA Astrophysics Data System (ADS)

Ma, Linbing; Zhang, Xinchang

2007-06-01

An accessibility computing method and process based on grid partition was put forward in the paper. As two important factors impacting on traffic, density of road network and relative spatial resistance for difference land use was integrated into computing traffic cost in each grid. A* algorithms was inducted to searching optimum traffic cost of grids path, a detailed searching process and definition of heuristic evaluation function was described in the paper. Therefore, the method can be implemented more simply and its data source is obtained more easily. Moreover, by changing heuristic searching information, more reasonable computing result can be obtained. For confirming our research, a software package was developed with C# language under ArcEngine9 environment. Applying the computing method, a case study on accessibility of business districts in Guangzhou city was carried out.

A COMPUTATIONALLY EFFICIENT HYBRID APPROACH FOR DYNAMIC GAS/AEROSOL TRANSFER IN AIR QUALITY MODELS. (R826371C005)

EPA Science Inventory

Dynamic mass transfer methods have been developed to better describe the interaction of the aerosol population with semi-volatile species such as nitrate, ammonia, and chloride. Unfortunately, these dynamic methods are computationally expensive. Assumptions are often made to r...

Mastering Cognitive Development Theory in Computer Science Education

ERIC Educational Resources Information Center

Gluga, Richard; Kay, Judy; Lister, Raymond; Kleitman, Simon; Kleitman, Sabina

2013-01-01

To design an effective computer science curriculum, educators require a systematic method of classifying the difficulty level of learning activities and assessment tasks. This is important for curriculum design and implementation and for communication between educators. Different educators must be able to use the method consistently, so that…

Accuracy of Time Integration Approaches for Stiff Magnetohydrodynamics Problems

NASA Astrophysics Data System (ADS)

Knoll, D. A.; Chacon, L.

2003-10-01

The simulation of complex physical processes with multiple time scales presents a continuing challenge to the computational plasma physisist due to the co-existence of fast and slow time scales. Within computational plasma physics, practitioners have developed and used linearized methods, semi-implicit methods, and time splitting in an attempt to tackle such problems. All of these methods are understood to generate numerical error. We are currently developing algorithms which remove such error for MHD problems [1,2]. These methods do not rely on linearization or time splitting. We are also attempting to analyze the errors introduced by existing ``implicit'' methods using modified equation analysis (MEA) [3]. In this presentation we will briefly cover the major findings in [3]. We will then extend this work further into MHD. This analysis will be augmented with numerical experiments with the hope of gaining insight, particularly into how these errors accumulate over many time steps. [1] L. Chacon,. D.A. Knoll, J.M. Finn, J. Comput. Phys., vol. 178, pp. 15-36 (2002) [2] L. Chacon and D.A. Knoll, J. Comput. Phys., vol. 188, pp. 573-592 (2003) [3] D.A. Knoll , L. Chacon, L.G. Margolin, V.A. Mousseau, J. Comput. Phys., vol. 185, pp. 583-611 (2003)

Microcomputer software development facilities

NASA Technical Reports Server (NTRS)

Gorman, J. S.; Mathiasen, C.

1980-01-01

A more efficient and cost effective method for developing microcomputer software is to utilize a host computer with high-speed peripheral support. Application programs such as cross assemblers, loaders, and simulators are implemented in the host computer for each of the microcomputers for which software development is a requirement. The host computer is configured to operate in a time share mode for multiusers. The remote terminals, printers, and down loading capabilities provided are based on user requirements. With this configuration a user, either local or remote, can use the host computer for microcomputer software development. Once the software is developed (through the code and modular debug stage) it can be downloaded to the development system or emulator in a test area where hardware/software integration functions can proceed. The microcomputer software program sources reside in the host computer and can be edited, assembled, loaded, and then downloaded as required until the software development project has been completed.

Comparison of methods for developing the dynamics of rigid-body systems

NASA Technical Reports Server (NTRS)

Ju, M. S.; Mansour, J. M.

1989-01-01

Several approaches for developing the equations of motion for a three-degree-of-freedom PUMA robot were compared on the basis of computational efficiency (i.e., the number of additions, subtractions, multiplications, and divisions). Of particular interest was the investigation of the use of computer algebra as a tool for developing the equations of motion. Three approaches were implemented algebraically: Lagrange's method, Kane's method, and Wittenburg's method. Each formulation was developed in absolute and relative coordinates. These six cases were compared to each other and to a recursive numerical formulation. The results showed that all of the formulations implemented algebraically required fewer calculations than the recursive numerical algorithm. The algebraic formulations required fewer calculations in absolute coordinates than in relative coordinates. Each of the algebraic formulations could be simplified, using patterns from Kane's method, to yield the same number of calculations in a given coordinate system.

Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

NASA Technical Reports Server (NTRS)

Thorp, Scott A.

1992-01-01

This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

Sensitivity Analysis for Coupled Aero-structural Systems

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.

1999-01-01

A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

A computer-controlled scintiscanning system and associated computer graphic techniques for study of regional distribution of blood flow.

NASA Technical Reports Server (NTRS)

Coulam, C. M.; Dunnette, W. H.; Wood, E. H.

1970-01-01

Two methods whereby a digital computer may be used to regulate a scintiscanning process are discussed from the viewpoint of computer input-output software. The computer's function, in this case, is to govern the data acquisition and storage, and to display the results to the investigator in a meaningful manner, both during and subsequent to the scanning process. Several methods (such as three-dimensional maps, contour plots, and wall-reflection maps) have been developed by means of which the computer can graphically display the data on-line, for real-time monitoring purposes, during the scanning procedure and subsequently for detailed analysis of the data obtained. A computer-governed method for converting scintiscan data recorded over the dorsal or ventral surfaces of the thorax into fractions of pulmonary blood flow traversing the right and left lungs is presented.

Programmable Quantum Photonic Processor Using Silicon Photonics

DTIC Science & Technology

2017-04-01

quantum information processing and quantum sensing, ranging from linear optics quantum computing and quantum simulation to quantum ...transformers have driven experimental and theoretical advances in quantum simulation, cluster-state quantum computing , all-optical quantum repeaters...neuromorphic computing , and other applications. In addition, we developed new schemes for ballistic quantum computation , new methods for

Computational Algorithmization: Limitations in Problem Solving Skills in Computational Sciences Majors at University of Oriente

ERIC Educational Resources Information Center

Castillo, Antonio S.; Berenguer, Isabel A.; Sánchez, Alexander G.; Álvarez, Tomás R. R.

2017-01-01

This paper analyzes the results of a diagnostic study carried out with second year students of the computational sciences majors at University of Oriente, Cuba, to determine the limitations that they present in computational algorithmization. An exploratory research was developed using quantitative and qualitative methods. The results allowed…

Biomolecular computers with multiple restriction enzymes.

PubMed

Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz

2017-01-01

The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann "bottleneck". Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro's group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases.

Computational methods for 2D materials: discovery, property characterization, and application design.

PubMed

Paul, J T; Singh, A K; Dong, Z; Zhuang, H; Revard, B C; Rijal, B; Ashton, M; Linscheid, A; Blonsky, M; Gluhovic, D; Guo, J; Hennig, R G

2017-11-29

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials' electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Computational methods for 2D materials: discovery, property characterization, and application design

NASA Astrophysics Data System (ADS)

Paul, J. T.; Singh, A. K.; Dong, Z.; Zhuang, H.; Revard, B. C.; Rijal, B.; Ashton, M.; Linscheid, A.; Blonsky, M.; Gluhovic, D.; Guo, J.; Hennig, R. G.

2017-11-01

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials’ electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

SU-E-T-628: A Cloud Computing Based Multi-Objective Optimization Method for Inverse Treatment Planning.

PubMed

Na, Y; Suh, T; Xing, L

2012-06-01

Multi-objective (MO) plan optimization entails generation of an enormous number of IMRT or VMAT plans constituting the Pareto surface, which presents a computationally challenging task. The purpose of this work is to overcome the hurdle by developing an efficient MO method using emerging cloud computing platform. As a backbone of cloud computing for optimizing inverse treatment planning, Amazon Elastic Compute Cloud with a master node (17.1 GB memory, 2 virtual cores, 420 GB instance storage, 64-bit platform) is used. The master node is able to scale seamlessly a number of working group instances, called workers, based on the user-defined setting account for MO functions in clinical setting. Each worker solved the objective function with an efficient sparse decomposition method. The workers are automatically terminated if there are finished tasks. The optimized plans are archived to the master node to generate the Pareto solution set. Three clinical cases have been planned using the developed MO IMRT and VMAT planning tools to demonstrate the advantages of the proposed method. The target dose coverage and critical structure sparing of plans are comparable obtained using the cloud computing platform are identical to that obtained using desktop PC (Intel Xeon® CPU 2.33GHz, 8GB memory). It is found that the MO planning speeds up the processing of obtaining the Pareto set substantially for both types of plans. The speedup scales approximately linearly with the number of nodes used for computing. With the use of N nodes, the computational time is reduced by the fitting model, 0.2+2.3/N, with r̂2>0.99, on average of the cases making real-time MO planning possible. A cloud computing infrastructure is developed for MO optimization. The algorithm substantially improves the speed of inverse plan optimization. The platform is valuable for both MO planning and future off- or on-line adaptive re-planning. © 2012 American Association of Physicists in Medicine.

Evaluation of Computer Simulations for Teaching Apparel Merchandising Concepts.

ERIC Educational Resources Information Center

Jolly, Laura D.; Sisler, Grovalynn

1988-01-01

The study developed and evaluated computer simulations for teaching apparel merchandising concepts. Evaluation results indicated that teaching method (computer simulation versus case study) does not significantly affect cognitive learning. Student attitudes varied, however, according to topic (profitable merchandising analysis versus retailing…

Computation of an Underexpanded 3-D Rectangular Jet by the CE/SE Method

NASA Technical Reports Server (NTRS)

Loh, Ching Y.; Himansu, Ananda; Wang, Xiao Y.; Jorgenson, Philip C. E.

2000-01-01

Recently, an unstructured three-dimensional space-time conservation element and solution element (CE/SE) Euler solver was developed. Now it is also developed for parallel computation using METIS for domain decomposition and MPI (message passing interface). The method is employed here to numerically study the near-field of a typical 3-D rectangular under-expanded jet. For the computed case-a jet with Mach number Mj = 1.6. with a very modest grid of 1.7 million tetrahedrons, the flow features such as the shock-cell structures and the axis switching, are in good qualitative agreement with experimental results.

Computer aided flexible envelope designs

NASA Technical Reports Server (NTRS)

Resch, R. D.

1975-01-01

Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.

Water demand forecasting: review of soft computing methods.

PubMed

Ghalehkhondabi, Iman; Ardjmand, Ehsan; Young, William A; Weckman, Gary R

2017-07-01

Demand forecasting plays a vital role in resource management for governments and private companies. Considering the scarcity of water and its inherent constraints, demand management and forecasting in this domain are critically important. Several soft computing techniques have been developed over the last few decades for water demand forecasting. This study focuses on soft computing methods of water consumption forecasting published between 2005 and 2015. These methods include artificial neural networks (ANNs), fuzzy and neuro-fuzzy models, support vector machines, metaheuristics, and system dynamics. Furthermore, it was discussed that while in short-term forecasting, ANNs have been superior in many cases, but it is still very difficult to pick a single method as the overall best. According to the literature, various methods and their hybrids are applied to water demand forecasting. However, it seems soft computing has a lot more to contribute to water demand forecasting. These contribution areas include, but are not limited, to various ANN architectures, unsupervised methods, deep learning, various metaheuristics, and ensemble methods. Moreover, it is found that soft computing methods are mainly used for short-term demand forecasting.

Oxygen Distributions-Evaluation of Computational Methods, Using a Stochastic Model for Large Tumour Vasculature, to Elucidate the Importance of Considering a Complete Vascular Network.

PubMed

Lagerlöf, Jakob H; Bernhardt, Peter

2016-01-01

To develop a general model that utilises a stochastic method to generate a vessel tree based on experimental data, and an associated irregular, macroscopic tumour. These will be used to evaluate two different methods for computing oxygen distribution. A vessel tree structure, and an associated tumour of 127 cm3, were generated, using a stochastic method and Bresenham's line algorithm to develop trees on two different scales and fusing them together. The vessel dimensions were adjusted through convolution and thresholding and each vessel voxel was assigned an oxygen value. Diffusion and consumption were modelled using a Green's function approach together with Michaelis-Menten kinetics. The computations were performed using a combined tree method (CTM) and an individual tree method (ITM). Five tumour sub-sections were compared, to evaluate the methods. The oxygen distributions of the same tissue samples, using different methods of computation, were considerably less similar (root mean square deviation, RMSD≈0.02) than the distributions of different samples using CTM (0.001< RMSD<0.01). The deviations of ITM from CTM increase with lower oxygen values, resulting in ITM severely underestimating the level of hypoxia in the tumour. Kolmogorov Smirnov (KS) tests showed that millimetre-scale samples may not represent the whole. The stochastic model managed to capture the heterogeneous nature of hypoxic fractions and, even though the simplified computation did not considerably alter the oxygen distribution, it leads to an evident underestimation of tumour hypoxia, and thereby radioresistance. For a trustworthy computation of tumour oxygenation, the interaction between adjacent microvessel trees must not be neglected, why evaluation should be made using high resolution and the CTM, applied to the entire tumour.

Developing an evidence-based curriculum designed to help psychiatric nurses learn to use computers and the Internet.

PubMed

Koivunen, Marita; Välimäki, Maritta; Jakobsson, Tiina; Pitkänen, Anneli

2008-01-01

This article describes the systematic process in which an evidence-based approach was used to develop a curriculum designed to support the computer and Internet skills of nurses in psychiatric hospitals in Finland. The pressure on organizations to have skilled and motivated nurses who use modern information and communication technology in health care organizations has increased due to rapid technology development at the international and national levels. However, less frequently has the development of those computer education curricula been based on evidence-based knowledge. First, we identified psychiatric nurses' learning experiences and barriers to computer use by examining written essays. Second, nurses' computer skills were surveyed. Last, evidence from the literature was scrutinized to find effective methods that can be used to teach and learn computer use in health care. This information was integrated and used for the development process of an education curriculum designed to support nurses' computer and Internet skills.

Satellite orbit computation methods

NASA Technical Reports Server (NTRS)

1977-01-01

Mathematical and algorithmical techniques for solution of problems in satellite dynamics were developed, along with solutions to satellite orbit motion. Dynamical analysis of shuttle on-orbit operations were conducted. Computer software routines for use in shuttle mission planning were developed and analyzed, while mathematical models of atmospheric density were formulated.

Computers and Resource-Based History Teaching: A UK Perspective.

ERIC Educational Resources Information Center

Spaeth, Donald A.; Cameron, Sonja

2000-01-01

Presents an overview of developments in computer-aided history teaching for higher education in the United Kingdom and the United States. Explains that these developments have focused on providing students with access to primary sources to enhance their understanding of historical methods and content. (CMK)

Pressure algorithm for elliptic flow calculations with the PDF method

NASA Technical Reports Server (NTRS)

Anand, M. S.; Pope, S. B.; Mongia, H. C.

1991-01-01

An algorithm to determine the mean pressure field for elliptic flow calculations with the probability density function (PDF) method is developed and applied. The PDF method is a most promising approach for the computation of turbulent reacting flows. Previous computations of elliptic flows with the method were in conjunction with conventional finite volume based calculations that provided the mean pressure field. The algorithm developed and described here permits the mean pressure field to be determined within the PDF calculations. The PDF method incorporating the pressure algorithm is applied to the flow past a backward-facing step. The results are in good agreement with data for the reattachment length, mean velocities, and turbulence quantities including triple correlations.

Study and characterization of a MEMS micromirror device

NASA Astrophysics Data System (ADS)

Furlong, Cosme; Pryputniewicz, Ryszard J.

2004-08-01

In this paper, advances in our study and characterization of a MEMS micromirror device are presented. The micromirror device, of 510 mm characteristic length, operates in a dynamic mode with a maximum displacement on the order of 10 mm along its principal optical axis and oscillation frequencies of up to 1.3 kHz. Developments are carried on by analytical, computational, and experimental methods. Analytical and computational nonlinear geometrical models are developed in order to determine the optimal loading-displacement operational characteristics of the micromirror. Due to the operational mode of the micromirror, the experimental characterization of its loading-displacement transfer function requires utilization of advanced optical metrology methods. Optoelectronic holography (OEH) methodologies based on multiple wavelengths that we are developing to perform such characterization are described. It is shown that the analytical, computational, and experimental approach is effective in our developments.

Whole earth modeling: developing and disseminating scientific software for computational geophysics.

NASA Astrophysics Data System (ADS)

Kellogg, L. H.

2016-12-01

Historically, a great deal of specialized scientific software for modeling and data analysis has been developed by individual researchers or small groups of scientists working on their own specific research problems. As the magnitude of available data and computer power has increased, so has the complexity of scientific problems addressed by computational methods, creating both a need to sustain existing scientific software, and expand its development to take advantage of new algorithms, new software approaches, and new computational hardware. To that end, communities like the Computational Infrastructure for Geodynamics (CIG) have been established to support the use of best practices in scientific computing for solid earth geophysics research and teaching. Working as a scientific community enables computational geophysicists to take advantage of technological developments, improve the accuracy and performance of software, build on prior software development, and collaborate more readily. The CIG community, and others, have adopted an open-source development model, in which code is developed and disseminated by the community in an open fashion, using version control and software repositories like Git. One emerging issue is how to adequately identify and credit the intellectual contributions involved in creating open source scientific software. The traditional method of disseminating scientific ideas, peer reviewed publication, was not designed for review or crediting scientific software, although emerging publication strategies such software journals are attempting to address the need. We are piloting an integrated approach in which authors are identified and credited as scientific software is developed and run. Successful software citation requires integration with the scholarly publication and indexing mechanisms as well, to assign credit, ensure discoverability, and provide provenance for software.

Training Methods to Build Human Terrain Mapping Skills

DTIC Science & Technology

2010-10-01

confidence in making friends, and talking to strangers. • Language – a few key phrases. • Language training with Arabic teacher (not computer -based...session to evaluate the lesson content and delivery method. Based on your feedback we will make changes and corrections to the content and the computer ...requirement, exemplar training materials were developed. The training materials took the form of a modular computer /web-based and web-deliverable course of

Development of Improved Surface Integral Methods for Jet Aeroacoustic Predictions

NASA Technical Reports Server (NTRS)

Pilon, Anthony R.; Lyrintzis, Anastasios S.

1997-01-01

The accurate prediction of aerodynamically generated noise has become an important goal over the past decade. Aeroacoustics must now be an integral part of the aircraft design process. The direct calculation of aerodynamically generated noise with CFD-like algorithms is plausible. However, large computer time and memory requirements often make these predictions impractical. It is therefore necessary to separate the aeroacoustics problem into two parts, one in which aerodynamic sound sources are determined, and another in which the propagating sound is calculated. This idea is applied in acoustic analogy methods. However, in the acoustic analogy, the determination of far-field sound requires the solution of a volume integral. This volume integration again leads to impractical computer requirements. An alternative to the volume integrations can be found in the Kirchhoff method. In this method, Green's theorem for the linear wave equation is used to determine sound propagation based on quantities on a surface surrounding the source region. The change from volume to surface integrals represents a tremendous savings in the computer resources required for an accurate prediction. This work is concerned with the development of enhancements of the Kirchhoff method for use in a wide variety of aeroacoustics problems. This enhanced method, the modified Kirchhoff method, is shown to be a Green's function solution of Lighthill's equation. It is also shown rigorously to be identical to the methods of Ffowcs Williams and Hawkings. This allows for development of versatile computer codes which can easily alternate between the different Kirchhoff and Ffowcs Williams-Hawkings formulations, using the most appropriate method for the problem at hand. The modified Kirchhoff method is developed primarily for use in jet aeroacoustics predictions. Applications of the method are shown for two dimensional and three dimensional jet flows. Additionally, the enhancements are generalized so that they may be used in any aeroacoustics problem.

Problems Discovery of Final Graduation Projects During the Software Development Processes

NASA Astrophysics Data System (ADS)

Al-Hagery, Mohammed Abdullah Hassan

2012-01-01

The traditional techniques and methods used by students during systems development at the College of Computer, Qassim University is leading to this study. It leads to identify problems that hinder the construction and development of information systems, and identify their causes. The most important stages of systems development are analysis and design, which represent a solid foundation to build strong systems that are free from errors. The motivation of this research is the existence of many problems that impede getting exact output after the development of systems by the university graduates within departments of computer. The research concentrates on discovering the problems during the development tasks. The required data were collected using a questionnaire method, which formulated and judged and distributed to the target population. The research results were analyzed by three statistic methods.

Performance comparison of heuristic algorithms for task scheduling in IaaS cloud computing environment.

PubMed

Madni, Syed Hamid Hussain; Abd Latiff, Muhammad Shafie; Abdullahi, Mohammed; Abdulhamid, Shafi'i Muhammad; Usman, Mohammed Joda

2017-01-01

Cloud computing infrastructure is suitable for meeting computational needs of large task sizes. Optimal scheduling of tasks in cloud computing environment has been proved to be an NP-complete problem, hence the need for the application of heuristic methods. Several heuristic algorithms have been developed and used in addressing this problem, but choosing the appropriate algorithm for solving task assignment problem of a particular nature is difficult since the methods are developed under different assumptions. Therefore, six rule based heuristic algorithms are implemented and used to schedule autonomous tasks in homogeneous and heterogeneous environments with the aim of comparing their performance in terms of cost, degree of imbalance, makespan and throughput. First Come First Serve (FCFS), Minimum Completion Time (MCT), Minimum Execution Time (MET), Max-min, Min-min and Sufferage are the heuristic algorithms considered for the performance comparison and analysis of task scheduling in cloud computing.

Performance comparison of heuristic algorithms for task scheduling in IaaS cloud computing environment

PubMed Central

Madni, Syed Hamid Hussain; Abd Latiff, Muhammad Shafie; Abdullahi, Mohammed; Usman, Mohammed Joda

2017-01-01

Cloud computing infrastructure is suitable for meeting computational needs of large task sizes. Optimal scheduling of tasks in cloud computing environment has been proved to be an NP-complete problem, hence the need for the application of heuristic methods. Several heuristic algorithms have been developed and used in addressing this problem, but choosing the appropriate algorithm for solving task assignment problem of a particular nature is difficult since the methods are developed under different assumptions. Therefore, six rule based heuristic algorithms are implemented and used to schedule autonomous tasks in homogeneous and heterogeneous environments with the aim of comparing their performance in terms of cost, degree of imbalance, makespan and throughput. First Come First Serve (FCFS), Minimum Completion Time (MCT), Minimum Execution Time (MET), Max-min, Min-min and Sufferage are the heuristic algorithms considered for the performance comparison and analysis of task scheduling in cloud computing. PMID:28467505

Non-steady state modelling of wheel-rail contact problem

NASA Astrophysics Data System (ADS)

Guiral, A.; Alonso, A.; Baeza, L.; Giménez, J. G.

2013-01-01

Among all the algorithms to solve the wheel-rail contact problem, Kalker's FastSim has become the most useful computation tool since it combines a low computational cost and enough precision for most of the typical railway dynamics problems. However, some types of dynamic problems require the use of a non-steady state analysis. Alonso and Giménez developed a non-stationary method based on FastSim, which provides both, sufficiently accurate results and a low computational cost. However, it presents some limitations; the method is developed for one time-dependent creepage and its accuracy for varying normal forces has not been checked. This article presents the required changes in order to deal with both problems and compares its results with those given by Kalker's Variational Method for rolling contact.

Perm State University HPC-hardware and software services: capabilities for aircraft engine aeroacoustics problems solving

NASA Astrophysics Data System (ADS)

Demenev, A. G.

2018-02-01

The present work is devoted to analyze high-performance computing (HPC) infrastructure capabilities for aircraft engine aeroacoustics problems solving at Perm State University. We explore here the ability to develop new computational aeroacoustics methods/solvers for computer-aided engineering (CAE) systems to handle complicated industrial problems of engine noise prediction. Leading aircraft engine engineering company, including “UEC-Aviadvigatel” JSC (our industrial partners in Perm, Russia), require that methods/solvers to optimize geometry of aircraft engine for fan noise reduction. We analysed Perm State University HPC-hardware resources and software services to use efficiently. The performed results demonstrate that Perm State University HPC-infrastructure are mature enough to face out industrial-like problems of development CAE-system with HPC-method and CFD-solvers.

A Computer-Aided Distinction Method of Borderline Grades of Oral Cancer

NASA Astrophysics Data System (ADS)

Sami, Mustafa M.; Saito, Masahisa; Muramatsu, Shogo; Kikuchi, Hisakazu; Saku, Takashi

We have developed a new computer-aided diagnostic system for differentiating oral borderline malignancies in hematoxylin-eosin stained microscopic images. Epithelial dysplasia and carcinoma in-situ (CIS) of oral mucosa are two different borderline grades similar to each other, and it is difficult to distinguish between them. A new image processing and analysis method has been applied to a variety of histopathological features and shows the possibility for differentiating the oral cancer borderline grades automatically. The method is based on comparing the drop-shape similarity level in a particular manually selected pair of neighboring rete ridges. It was found that the considered similarity level in dysplasia was higher than those in epithelial CIS, of which pathological diagnoses were conventionally made by pathologists. The developed image processing method showed a good promise for the computer-aided pathological assessment of oral borderline malignancy differentiation in clinical practice.

Computational methods to extract meaning from text and advance theories of human cognition.

PubMed

McNamara, Danielle S

2011-01-01

Over the past two decades, researchers have made great advances in the area of computational methods for extracting meaning from text. This research has to a large extent been spurred by the development of latent semantic analysis (LSA), a method for extracting and representing the meaning of words using statistical computations applied to large corpora of text. Since the advent of LSA, researchers have developed and tested alternative statistical methods designed to detect and analyze meaning in text corpora. This research exemplifies how statistical models of semantics play an important role in our understanding of cognition and contribute to the field of cognitive science. Importantly, these models afford large-scale representations of human knowledge and allow researchers to explore various questions regarding knowledge, discourse processing, text comprehension, and language. This topic includes the latest progress by the leading researchers in the endeavor to go beyond LSA. Copyright © 2010 Cognitive Science Society, Inc.

Incremental update of electrostatic interactions in adaptively restrained particle simulations.

PubMed

Edorh, Semeho Prince A; Redon, Stéphane

2018-04-06

The computation of long-range potentials is one of the demanding tasks in Molecular Dynamics. During the last decades, an inventive panoply of methods was developed to reduce the CPU time of this task. In this work, we propose a fast method dedicated to the computation of the electrostatic potential in adaptively restrained systems. We exploit the fact that, in such systems, only some particles are allowed to move at each timestep. We developed an incremental algorithm derived from a multigrid-based alternative to traditional Fourier-based methods. Our algorithm was implemented inside LAMMPS, a popular molecular dynamics simulation package. We evaluated the method on different systems. We showed that the new algorithm's computational complexity scales with the number of active particles in the simulated system, and is able to outperform the well-established Particle Particle Particle Mesh (P3M) for adaptively restrained simulations. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

The Shock and Vibration Digest. Volume 15, Number 3

DTIC Science & Technology

1983-03-01

High Temperature Gas-Cooled Reactor Core with Block-type Fuel (2nd Report: An Analytical Method of Two-dmentmnal Vibration of Interacting CohunM) T...Computer-aided techniquei, Detign techniquei A wite of computer programs hat been developed which allow« advanced fatigue analyiit procedures to be...valuei with those developed by bearing analysis computer programs were used to formulate an understanding of the mechanisms that induce ball skidding

Computational techniques for ECG analysis and interpretation in light of their contribution to medical advances

PubMed Central

Mincholé, Ana; Martínez, Juan Pablo; Laguna, Pablo; Rodriguez, Blanca

2018-01-01

Widely developed for clinical screening, electrocardiogram (ECG) recordings capture the cardiac electrical activity from the body surface. ECG analysis can therefore be a crucial first step to help diagnose, understand and predict cardiovascular disorders responsible for 30% of deaths worldwide. Computational techniques, and more specifically machine learning techniques and computational modelling are powerful tools for classification, clustering and simulation, and they have recently been applied to address the analysis of medical data, especially ECG data. This review describes the computational methods in use for ECG analysis, with a focus on machine learning and 3D computer simulations, as well as their accuracy, clinical implications and contributions to medical advances. The first section focuses on heartbeat classification and the techniques developed to extract and classify abnormal from regular beats. The second section focuses on patient diagnosis from whole recordings, applied to different diseases. The third section presents real-time diagnosis and applications to wearable devices. The fourth section highlights the recent field of personalized ECG computer simulations and their interpretation. Finally, the discussion section outlines the challenges of ECG analysis and provides a critical assessment of the methods presented. The computational methods reported in this review are a strong asset for medical discoveries and their translation to the clinical world may lead to promising advances. PMID:29321268

Fast Learning for Immersive Engagement in Energy Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bush, Brian W; Bugbee, Bruce; Gruchalla, Kenny M

The fast computation which is critical for immersive engagement with and learning from energy simulations would be furthered by developing a general method for creating rapidly computed simplified versions of NREL's computation-intensive energy simulations. Created using machine learning techniques, these 'reduced form' simulations can provide statistically sound estimates of the results of the full simulations at a fraction of the computational cost with response times - typically less than one minute of wall-clock time - suitable for real-time human-in-the-loop design and analysis. Additionally, uncertainty quantification techniques can document the accuracy of the approximate models and their domain of validity. Approximationmore » methods are applicable to a wide range of computational models, including supply-chain models, electric power grid simulations, and building models. These reduced-form representations cannot replace or re-implement existing simulations, but instead supplement them by enabling rapid scenario design and quality assurance for large sets of simulations. We present an overview of the framework and methods we have implemented for developing these reduced-form representations.« less

Light aircraft lift, drag, and moment prediction: A review and analysis

NASA Technical Reports Server (NTRS)

Smetana, F. O.; Summey, D. C.; Smith, N. S.; Carden, R. K.

1975-01-01

The historical development of analytical methods for predicting the lift, drag, and pitching moment of complete light aircraft configurations in cruising flight is reviewed. Theoretical methods, based in part on techniques described in the literature and in part on original work, are developed. These methods form the basis for understanding the computer programs given to: (1) compute the lift, drag, and moment of conventional airfoils, (2) extend these two-dimensional characteristics to three dimensions for moderate-to-high aspect ratio unswept wings, (3) plot complete configurations, (4) convert the fuselage geometric data to the correct input format, (5) compute the fuselage lift and drag, (6) compute the lift and moment of symmetrical airfoils to M = 1.0 by a simplified semi-empirical procedure, and (7) compute, in closed form, the pressure distribution over a prolate spheroid at alpha = 0. Comparisons of the predictions with experiment indicate excellent lift and drag agreement for conventional airfoils and wings. Limited comparisons of body-alone drag characteristics yield reasonable agreement. Also included are discussions for interference effects and techniques for summing the results above to obtain predictions for complete configurations.

TU-AB-303-08: GPU-Based Software Platform for Efficient Image-Guided Adaptive Radiation Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, S; Robinson, A; McNutt, T

2015-06-15

Purpose: In this study, we develop an integrated software platform for adaptive radiation therapy (ART) that combines fast and accurate image registration, segmentation, and dose computation/accumulation methods. Methods: The proposed system consists of three key components; 1) deformable image registration (DIR), 2) automatic segmentation, and 3) dose computation/accumulation. The computationally intensive modules including DIR and dose computation have been implemented on a graphics processing unit (GPU). All required patient-specific data including the planning CT (pCT) with contours, daily cone-beam CTs, and treatment plan are automatically queried and retrieved from their own databases. To improve the accuracy of DIR between pCTmore » and CBCTs, we use the double force demons DIR algorithm in combination with iterative CBCT intensity correction by local intensity histogram matching. Segmentation of daily CBCT is then obtained by propagating contours from the pCT. Daily dose delivered to the patient is computed on the registered pCT by a GPU-accelerated superposition/convolution algorithm. Finally, computed daily doses are accumulated to show the total delivered dose to date. Results: Since the accuracy of DIR critically affects the quality of the other processes, we first evaluated our DIR method on eight head-and-neck cancer cases and compared its performance. Normalized mutual-information (NMI) and normalized cross-correlation (NCC) computed as similarity measures, and our method produced overall NMI of 0.663 and NCC of 0.987, outperforming conventional methods by 3.8% and 1.9%, respectively. Experimental results show that our registration method is more consistent and roust than existing algorithms, and also computationally efficient. Computation time at each fraction took around one minute (30–50 seconds for registration and 15–25 seconds for dose computation). Conclusion: We developed an integrated GPU-accelerated software platform that enables accurate and efficient DIR, auto-segmentation, and dose computation, thus supporting an efficient ART workflow. This work was supported by NIH/NCI under grant R42CA137886.« less

Computational methods in metabolic engineering for strain design.

PubMed

Long, Matthew R; Ong, Wai Kit; Reed, Jennifer L

2015-08-01

Metabolic engineering uses genetic approaches to control microbial metabolism to produce desired compounds. Computational tools can identify new biological routes to chemicals and the changes needed in host metabolism to improve chemical production. Recent computational efforts have focused on exploring what compounds can be made biologically using native, heterologous, and/or enzymes with broad specificity. Additionally, computational methods have been developed to suggest different types of genetic modifications (e.g. gene deletion/addition or up/down regulation), as well as suggest strategies meeting different criteria (e.g. high yield, high productivity, or substrate co-utilization). Strategies to improve the runtime performances have also been developed, which allow for more complex metabolic engineering strategies to be identified. Future incorporation of kinetic considerations will further improve strain design algorithms. Copyright © 2015 Elsevier Ltd. All rights reserved.

Orthorectification by Using Gpgpu Method

NASA Astrophysics Data System (ADS)

Sahin, H.; Kulur, S.

2012-07-01

Thanks to the nature of the graphics processing, the newly released products offer highly parallel processing units with high-memory bandwidth and computational power of more than teraflops per second. The modern GPUs are not only powerful graphic engines but also they are high level parallel programmable processors with very fast computing capabilities and high-memory bandwidth speed compared to central processing units (CPU). Data-parallel computations can be shortly described as mapping data elements to parallel processing threads. The rapid development of GPUs programmability and capabilities attracted the attentions of researchers dealing with complex problems which need high level calculations. This interest has revealed the concepts of "General Purpose Computation on Graphics Processing Units (GPGPU)" and "stream processing". The graphic processors are powerful hardware which is really cheap and affordable. So the graphic processors became an alternative to computer processors. The graphic chips which were standard application hardware have been transformed into modern, powerful and programmable processors to meet the overall needs. Especially in recent years, the phenomenon of the usage of graphics processing units in general purpose computation has led the researchers and developers to this point. The biggest problem is that the graphics processing units use different programming models unlike current programming methods. Therefore, an efficient GPU programming requires re-coding of the current program algorithm by considering the limitations and the structure of the graphics hardware. Currently, multi-core processors can not be programmed by using traditional programming methods. Event procedure programming method can not be used for programming the multi-core processors. GPUs are especially effective in finding solution for repetition of the computing steps for many data elements when high accuracy is needed. Thus, it provides the computing process more quickly and accurately. Compared to the GPUs, CPUs which perform just one computing in a time according to the flow control are slower in performance. This structure can be evaluated for various applications of computer technology. In this study covers how general purpose parallel programming and computational power of the GPUs can be used in photogrammetric applications especially direct georeferencing. The direct georeferencing algorithm is coded by using GPGPU method and CUDA (Compute Unified Device Architecture) programming language. Results provided by this method were compared with the traditional CPU programming. In the other application the projective rectification is coded by using GPGPU method and CUDA programming language. Sample images of various sizes, as compared to the results of the program were evaluated. GPGPU method can be used especially in repetition of same computations on highly dense data, thus finding the solution quickly.

Computer-Assisted College Administration. Final Report.

ERIC Educational Resources Information Center

Punga, V.

Rensselaer Polytechnic Institute of Connecticut offered a part-time training program "Computer-Assisted-College-Administration" during the academic year 1969-70. Participants were trained in the utilization of computer-assisted methods in dealing with the common tasks of college administration, the problems of college development and…

A scalable parallel black oil simulator on distributed memory parallel computers

NASA Astrophysics Data System (ADS)

Wang, Kun; Liu, Hui; Chen, Zhangxin

2015-11-01

This paper presents our work on developing a parallel black oil simulator for distributed memory computers based on our in-house parallel platform. The parallel simulator is designed to overcome the performance issues of common simulators that are implemented for personal computers and workstations. The finite difference method is applied to discretize the black oil model. In addition, some advanced techniques are employed to strengthen the robustness and parallel scalability of the simulator, including an inexact Newton method, matrix decoupling methods, and algebraic multigrid methods. A new multi-stage preconditioner is proposed to accelerate the solution of linear systems from the Newton methods. Numerical experiments show that our simulator is scalable and efficient, and is capable of simulating extremely large-scale black oil problems with tens of millions of grid blocks using thousands of MPI processes on parallel computers.

Development of Advanced Methods of Structural and Trajectory Analysis for Transport Aircraft

NASA Technical Reports Server (NTRS)

Ardema, Mark D.

1996-01-01

In this report the author describes: (1) development of advanced methods of structural weight estimation, and (2) development of advanced methods of flight path optimization. A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of component weight using empirical methods based on actual weights of existing aircraft and detailed, but time-consuming, analysis using the finite element method. The method was applied to eight existing subsonic transports for validation and correlation. Integration of the resulting computer program, PDCYL, has been made into the weights-calculating module of the AirCraft SYNThesis (ACSYNT) computer program. ACSYNT bas traditionally used only empirical weight estimation methods; PDCYL adds to ACSYNT a rapid, accurate means of assessing the fuselage and wing weights of unconventional aircraft. PDCYL also allows flexibility in the choice of structural concept, as well as a direct means of determining the impact of advanced materials on structural weight.

Determination of discharge during pulsating flow

USGS Publications Warehouse

Thompson, T.H.

1968-01-01

Pulsating flow in an open channel is a manifestation of unstable-flow conditions in which a series of translatory waves of perceptible magnitude develops and moves rapidly downstream. Pulsating flow is a matter of concern in the design and operation of steep-gradient channels. If it should occur at high stages in a channel designed for stable flow, the capacity of the channel may be inadequate at a discharge that is much smaller than that for which the channel was designed. If the overriding translatory wave carries an appreciable part of the total flow, conventional stream-gaging procedures cannot be used to determine the discharge; neither the conventional instrumentation nor conventional methodology is adequate. A method of determining the discharge during pulsating flow was tested in the Santa Anita Wash flood control channel in Arcadia, Calif., April 16, 1965. Observations of the dimensions and velocities of translatory waves were made during a period of controlled reservoir releases of about 100, 200, and 300 cfs (cubic feet per second). The method of computing discharge was based on (1) computation of the discharge in the overriding waves and (2) computation of the discharge in the shallow-depth, or overrun, part of the flow. Satisfactory results were obtained by this method. However, the procedure used-separating the flow into two components and then treating the shallow-depth component as though it were steady--has no theoretical basis. It is simply an expedient for use until laboratory investigation can provide a satisfactory analytical solution to the problem of computing discharge during pulsating flow. Sixteen months prior to the test in Santa Anita Wash, a robot camera had been designed .and programmed to obtain the data needed to compute discharge by the method described above. The photographic equipment had been installed in Haines Creek flood control channel in Los Angeles, Calif., but it had not been completely tested because of the infrequency of flow in that channel. Because the Santa Anita Wash tests afforded excellent data for analysis, further development of the photographic ,technique at Haines Creek was discontinued. Three methods for obtaining the data needed to compute discharge during pulsating flow are proposed. In two of the methods--the photographic method and the depth-recorder method--the dimensions and velocities of translatory waves are recorded, and discharge is then computed by the procedure developed in this report. The third method?the constant-rate-dye-dilution method--yields the discharge more directly. The discharge is computed from the dye-injection rate and the ratio of the concentration of dye in the injected solution to the concentration of dye in the water sampled at a site downstream. The three methods should be developed and tested in ,the Santa Anita Wash flood control channel under controlled conditions similar to those in the test of April 1965.

Decision support systems for ecosystem management: An evaluation of existing systems

Treesearch

H. Todd Mowrer; Klaus Barber; Joe Campbell; Nick Crookston; Cathy Dahms; John Day; Jim Laacke; Jim Merzenich; Steve Mighton; Mike Rauscher; Rick Sojda; Joyce Thompson; Peter Trenchi; Mark Twery

1997-01-01

This report evaluated 24 computer-aided decision support systems (DSS) that can support management decision-making in forest ecosystems. It compares the scope of each system, spatial capabilities, computational methods, development status, input and output requirements, user support availability, and system performance. Questionnaire responses from the DSS developers (...

Bayesian Methods and Confidence Intervals for Automatic Target Recognition of SAR Canonical Shapes

DTIC Science & Technology

2014-03-27

and DirectX [22]. The CUDA platform was developed by the NVIDIA Corporation to allow programmers access to the computational capabilities of the...were used for the intense repetitive computations. Developing CUDA software requires writing code for specialized compilers provided by NVIDIA and

Scaffolding Argumentation about Water Quality: A Mixed-Method Study in a Rural Middle School

ERIC Educational Resources Information Center

Belland, Brian R.; Gu, Jiangyue; Armbrust, Sara; Cook, Brant

2015-01-01

A common way for students to develop scientific argumentation abilities is through argumentation about socioscientific issues, defined as scientific problems with social, ethical, and moral aspects. Computer-based scaffolding can support students in this process. In this mixed method study, we examined the use and impact of computer based…

Active Subspace Methods for Data-Intensive Inverse Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Qiqi

2017-04-27

The project has developed theory and computational tools to exploit active subspaces to reduce the dimension in statistical calibration problems. This dimension reduction enables MCMC methods to calibrate otherwise intractable models. The same theoretical and computational tools can also reduce the measurement dimension for calibration problems that use large stores of data.

Development of a Computer-Based Visualised Quantitative Learning System for Playing Violin Vibrato

ERIC Educational Resources Information Center

Ho, Tracy Kwei-Liang; Lin, Huann-shyang; Chen, Ching-Kong; Tsai, Jih-Long

2015-01-01

Traditional methods of teaching music are largely subjective, with the lack of objectivity being particularly challenging for violin students learning vibrato because of the existence of conflicting theories. By using a computer-based analysis method, this study found that maintaining temporal coincidence between the intensity peak and the target…

A Brain-Computer Interface Project Applied in Computer Engineering

ERIC Educational Resources Information Center

Katona, Jozsef; Kovari, Attila

2016-01-01

Keeping up with novel methods and keeping abreast of new applications are crucial issues in engineering education. In brain research, one of the most significant research areas in recent decades, many developments have application in both modern engineering technology and education. New measurement methods in the observation of brain activity open…

Improving stochastic estimates with inference methods: calculating matrix diagonals.

PubMed

Selig, Marco; Oppermann, Niels; Ensslin, Torsten A

2012-02-01

Estimating the diagonal entries of a matrix, that is not directly accessible but only available as a linear operator in the form of a computer routine, is a common necessity in many computational applications, especially in image reconstruction and statistical inference. Here, methods of statistical inference are used to improve the accuracy or the computational costs of matrix probing methods to estimate matrix diagonals. In particular, the generalized Wiener filter methodology, as developed within information field theory, is shown to significantly improve estimates based on only a few sampling probes, in cases in which some form of continuity of the solution can be assumed. The strength, length scale, and precise functional form of the exploited autocorrelation function of the matrix diagonal is determined from the probes themselves. The developed algorithm is successfully applied to mock and real world problems. These performance tests show that, in situations where a matrix diagonal has to be calculated from only a small number of computationally expensive probes, a speedup by a factor of 2 to 10 is possible with the proposed method. © 2012 American Physical Society

A Computational Method to Determine Glucose Infusion Rates for Isoglycemic Intravenous Glucose Infusion Study.

PubMed

Choi, Karam; Lee, Jung Chan; Oh, Tae Jung; Kim, Myeungseon; Kim, Hee Chan; Cho, Young Min; Kim, Sungwan

2016-01-01

The results of the isoglycemic intravenous glucose infusion (IIGI) study need to mimic the dynamic glucose profiles during the oral glucose tolerance test (OGTT) to accurately calculate the incretin effect. The glucose infusion rates during IIGI studies have historically been determined by experienced research personnel using the manual ad-hoc method. In this study, a computational method was developed to automatically determine the infusion rates for IIGI study based on a glucose-dynamics model. To evaluate the computational method, 18 subjects with normal glucose tolerance underwent a 75 g OGTT. One-week later, Group 1 (n = 9) and Group 2 (n = 9) underwent IIGI studies using the ad-hoc method and the computational method, respectively. Both methods were evaluated using correlation coefficient, mean absolute relative difference (MARD), and root mean square error (RMSE) between the glucose profiles from the OGTT and the IIGI study. The computational method exhibited significantly higher correlation (0.95 ± 0.03 versus 0.86 ± 0.10, P = 0.019), lower MARD (8.72 ± 1.83% versus 13.11 ± 3.66%, P = 0.002), and lower RMSE (10.33 ± 1.99 mg/dL versus 16.84 ± 4.43 mg/dL, P = 0.002) than the ad-hoc method. The computational method can facilitate IIGI study, and enhance its accuracy and stability. Using this computational method, a high-quality IIGI study can be accomplished without the need for experienced personnel.

Supersonic nonlinear potential analysis

NASA Technical Reports Server (NTRS)

Siclari, M. J.

1984-01-01

The NCOREL computer code was established to compute supersonic flow fields of wings and bodies. The method encompasses an implicit finite difference transonic relaxation method to solve the full potential equation in a spherical coordinate system. Two basic topic to broaden the applicability and usefulness of the present method which is encompassed within the computer code NCOREL for the treatment of supersonic flow problems were studied. The first topic is that of computing efficiency. Accelerated schemes are in use for transonic flow problems. One such scheme is the approximate factorization (AF) method and an AF scheme to the supersonic flow problem is developed. The second topic is the computation of wake flows. The proper modeling of wake flows is important for multicomponent configurations such as wing-body and multiple lifting surfaces where the wake of one lifting surface has a pronounced effect on a downstream body or other lifting surfaces.

Fast hydrological model calibration based on the heterogeneous parallel computing accelerated shuffled complex evolution method

NASA Astrophysics Data System (ADS)

Kan, Guangyuan; He, Xiaoyan; Ding, Liuqian; Li, Jiren; Hong, Yang; Zuo, Depeng; Ren, Minglei; Lei, Tianjie; Liang, Ke

2018-01-01

Hydrological model calibration has been a hot issue for decades. The shuffled complex evolution method developed at the University of Arizona (SCE-UA) has been proved to be an effective and robust optimization approach. However, its computational efficiency deteriorates significantly when the amount of hydrometeorological data increases. In recent years, the rise of heterogeneous parallel computing has brought hope for the acceleration of hydrological model calibration. This study proposed a parallel SCE-UA method and applied it to the calibration of a watershed rainfall-runoff model, the Xinanjiang model. The parallel method was implemented on heterogeneous computing systems using OpenMP and CUDA. Performance testing and sensitivity analysis were carried out to verify its correctness and efficiency. Comparison results indicated that heterogeneous parallel computing-accelerated SCE-UA converged much more quickly than the original serial version and possessed satisfactory accuracy and stability for the task of fast hydrological model calibration.

Evaluation of a CFD Method for Aerodynamic Database Development using the Hyper-X Stack Configuration

NASA Technical Reports Server (NTRS)

Parikh, Paresh; Engelund, Walter; Armand, Sasan; Bittner, Robert

2004-01-01

A computational fluid dynamic (CFD) study is performed on the Hyper-X (X-43A) Launch Vehicle stack configuration in support of the aerodynamic database generation in the transonic to hypersonic flow regime. The main aim of the study is the evaluation of a CFD method that can be used to support aerodynamic database development for similar future configurations. The CFD method uses the NASA Langley Research Center developed TetrUSS software, which is based on tetrahedral, unstructured grids. The Navier-Stokes computational method is first evaluated against a set of wind tunnel test data to gain confidence in the code s application to hypersonic Mach number flows. The evaluation includes comparison of the longitudinal stability derivatives on the complete stack configuration (which includes the X-43A/Hyper-X Research Vehicle, the launch vehicle and an adapter connecting the two), detailed surface pressure distributions at selected locations on the stack body and component (rudder, elevons) forces and moments. The CFD method is further used to predict the stack aerodynamic performance at flow conditions where no experimental data is available as well as for component loads for mechanical design and aero-elastic analyses. An excellent match between the computed and the test data over a range of flow conditions provides a computational tool that may be used for future similar hypersonic configurations with confidence.

CSM research: Methods and application studies

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

1989-01-01

Computational mechanics is that discipline of applied science and engineering devoted to the study of physical phenomena by means of computational methods based on mathematical modeling and simulation, utilizing digital computers. The discipline combines theoretical and applied mechanics, approximation theory, numerical analysis, and computer science. Computational mechanics has had a major impact on engineering analysis and design. When applied to structural mechanics, the discipline is referred to herein as computational structural mechanics. Complex structures being considered by NASA for the 1990's include composite primary aircraft structures and the space station. These structures will be much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. NASA has initiated a research activity in structural analysis called Computational Structural Mechanics (CSM). The broad objective of the CSM activity is to develop advanced structural analysis technology that will exploit modern and emerging computers, such as those with vector and/or parallel processing capabilities. Here, the current research directions for the Methods and Application Studies Team of the Langley CSM activity are described.

Condition number estimation of preconditioned matrices.

PubMed

Kushida, Noriyuki

2015-01-01

The present paper introduces a condition number estimation method for preconditioned matrices. The newly developed method provides reasonable results, while the conventional method which is based on the Lanczos connection gives meaningless results. The Lanczos connection based method provides the condition numbers of coefficient matrices of systems of linear equations with information obtained through the preconditioned conjugate gradient method. Estimating the condition number of preconditioned matrices is sometimes important when describing the effectiveness of new preconditionerers or selecting adequate preconditioners. Operating a preconditioner on a coefficient matrix is the simplest method of estimation. However, this is not possible for large-scale computing, especially if computation is performed on distributed memory parallel computers. This is because, the preconditioned matrices become dense, even if the original matrices are sparse. Although the Lanczos connection method can be used to calculate the condition number of preconditioned matrices, it is not considered to be applicable to large-scale problems because of its weakness with respect to numerical errors. Therefore, we have developed a robust and parallelizable method based on Hager's method. The feasibility studies are curried out for the diagonal scaling preconditioner and the SSOR preconditioner with a diagonal matrix, a tri-daigonal matrix and Pei's matrix. As a result, the Lanczos connection method contains around 10% error in the results even with a simple problem. On the other hand, the new method contains negligible errors. In addition, the newly developed method returns reasonable solutions when the Lanczos connection method fails with Pei's matrix, and matrices generated with the finite element method.

A new system of computer-assisted navigation leading to reduction in operating time in uncemented total hip replacement in a matched population.

PubMed

Chaudhry, Fouad A; Ismail, Sanaa Z; Davis, Edward T

2018-05-01

Computer-assisted navigation techniques are used to optimise component placement and alignment in total hip replacement. It has developed in the last 10 years but despite its advantages only 0.3% of all total hip replacements in England and Wales are done using computer navigation. One of the reasons for this is that computer-assisted technology increases operative time. A new method of pelvic registration has been developed without the need to register the anterior pelvic plane (BrainLab hip 6.0) which has shown to improve the accuracy of THR. The purpose of this study was to find out if the new method reduces the operating time. This was a retrospective analysis of comparing operating time in computer navigated primary uncemented total hip replacement using two methods of registration. Group 1 included 128 cases that were performed using BrainLab versions 2.1-5.1. This version relied on the acquisition of the anterior pelvic plane for registration. Group 2 included 128 cases that were performed using the newest navigation software, BrainLab hip 6.0 (registration possible with the patient in the lateral decubitus position). The operating time was 65.79 (40-98) minutes using the old method of registration and was 50.87 (33-74) minutes using the new method of registration. This difference was statistically significant. The body mass index (BMI) was comparable in both groups. The study supports the use of new method of registration in improving the operating time in computer navigated primary uncemented total hip replacements.

Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

NASA Technical Reports Server (NTRS)

Fujii, K.

1983-01-01

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

Final Technical Report [Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saad, Yousef

2014-03-19

The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods ormore » Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.« less

Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R.; Reboredo, Fernando

Materials based on transition metal oxides (TMO's) are among the most challenging systems for computational characterization. Reliable and practical computations are possible by directly solving the many-body problem for TMO's with quantum Monte Carlo (QMC) methods. These methods are very computationally intensive, but recent developments in algorithms and computational infrastructures have enabled their application to real materials. We will show our efforts on the application of the diffusion quantum Monte Carlo (DMC) method to study the formation of defects in binary and ternary TMO and heterostructures of TMO. We will also outline current limitations in hardware and algorithms. This work is supported by the Materials Sciences & Engineering Division of the Office of Basic Energy Sciences, U.S. Department of Energy (DOE).

Higher-order methods for simulations on quantum computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sornborger, A.T.; Stewart, E.D.

1999-09-01

To implement many-qubit gates for use in quantum simulations on quantum computers efficiently, we develop and present methods reexpressing exp[[minus]i(H[sub 1]+H[sub 2]+[center dot][center dot][center dot])[Delta]t] as a product of factors exp[[minus]iH[sub 1][Delta]t], exp[[minus]iH[sub 2][Delta]t],[hor ellipsis], which is accurate to third or fourth order in [Delta]t. The methods we derive are an extended form of the symplectic method, and can also be used for an integration of classical Hamiltonians on classical computers. We derive both integral and irrational methods, and find the most efficient methods in both cases. [copyright] [ital 1999] [ital The American Physical Society

Development of V/STOL methodology based on a higher order panel method

NASA Technical Reports Server (NTRS)

Bhateley, I. C.; Howell, G. A.; Mann, H. W.

1983-01-01

The development of a computational technique to predict the complex flowfields of V/STOL aircraft was initiated in which a number of modules and a potential flow aerodynamic code were combined in a comprehensive computer program. The modules were developed in a building-block approach to assist the user in preparing the geometric input and to compute parameters needed to simulate certain flow phenomena that cannot be handled directly within a potential flow code. The PAN AIR aerodynamic code, which is higher order panel method, forms the nucleus of this program. PAN AIR's extensive capability for allowing generalized boundary conditions allows the modules to interact with the aerodynamic code through the input and output files, thereby requiring no changes to the basic code and easy replacement of updated modules.

An evolutionary firefly algorithm for the estimation of nonlinear biological model parameters.

PubMed

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N V

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test.

An Evolutionary Firefly Algorithm for the Estimation of Nonlinear Biological Model Parameters

PubMed Central

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N. V.

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test. PMID:23469172

Fault management for data systems

NASA Technical Reports Server (NTRS)

Boyd, Mark A.; Iverson, David L.; Patterson-Hine, F. Ann

1993-01-01

Issues related to automating the process of fault management (fault diagnosis and response) for data management systems are considered. Substantial benefits are to be gained by successful automation of this process, particularly for large, complex systems. The use of graph-based models to develop a computer assisted fault management system is advocated. The general problem is described and the motivation behind choosing graph-based models over other approaches for developing fault diagnosis computer programs is outlined. Some existing work in the area of graph-based fault diagnosis is reviewed, and a new fault management method which was developed from existing methods is offered. Our method is applied to an automatic telescope system intended as a prototype for future lunar telescope programs. Finally, an application of our method to general data management systems is described.

Prediction of unsteady transonic flow around missile configurations

NASA Technical Reports Server (NTRS)

Nixon, D.; Reisenthel, P. H.; Torres, T. O.; Klopfer, G. H.

1990-01-01

This paper describes the preliminary development of a method for predicting the unsteady transonic flow around missiles at transonic and supersonic speeds, with the final goal of developing a computer code for use in aeroelastic calculations or during maneuvers. The basic equations derived for this method are an extension of those derived by Klopfer and Nixon (1989) for steady flow and are a subset of the Euler equations. In this approach, the five Euler equations are reduced to an equation similar to the three-dimensional unsteady potential equation, and a two-dimensional Poisson equation. In addition, one of the equations in this method is almost identical to the potential equation for which there are well tested computer codes, allowing the development of a prediction method based in part on proved technology.

Multiresolution and Explicit Methods for Vector Field Analysis and Visualization

NASA Technical Reports Server (NTRS)

Nielson, Gregory M.

1997-01-01

This is a request for a second renewal (3d year of funding) of a research project on the topic of multiresolution and explicit methods for vector field analysis and visualization. In this report, we describe the progress made on this research project during the second year and give a statement of the planned research for the third year. There are two aspects to this research project. The first is concerned with the development of techniques for computing tangent curves for use in visualizing flow fields. The second aspect of the research project is concerned with the development of multiresolution methods for curvilinear grids and their use as tools for visualization, analysis and archiving of flow data. We report on our work on the development of numerical methods for tangent curve computation first.

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems.more » The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.« less

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

PubMed

Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

2016-03-28

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.

Design and Analysis Tools for Supersonic Inlets

NASA Technical Reports Server (NTRS)

Slater, John W.; Folk, Thomas C.

2009-01-01

Computational tools are being developed for the design and analysis of supersonic inlets. The objective is to update existing tools and provide design and low-order aerodynamic analysis capability for advanced inlet concepts. The Inlet Tools effort includes aspects of creating an electronic database of inlet design information, a document describing inlet design and analysis methods, a geometry model for describing the shape of inlets, and computer tools that implement the geometry model and methods. The geometry model has a set of basic inlet shapes that include pitot, two-dimensional, axisymmetric, and stream-traced inlet shapes. The inlet model divides the inlet flow field into parts that facilitate the design and analysis methods. The inlet geometry model constructs the inlet surfaces through the generation and transformation of planar entities based on key inlet design factors. Future efforts will focus on developing the inlet geometry model, the inlet design and analysis methods, a Fortran 95 code to implement the model and methods. Other computational platforms, such as Java, will also be explored.

Space Radiation Transport Methods Development

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Tripathi, R. K.; Qualls, G. D.; Cucinotta, F. A.; Prael, R. E.; Norbury, J. W.; Heinbockel, J. H.; Tweed, J.

2002-01-01

Improved spacecraft shield design requires early entry of radiation constraints into the design process to maximize performance and minimize costs. As a result, we have been investigating high-speed computational procedures to allow shield analysis from the preliminary design concepts to the final design. In particular, we will discuss the progress towards a full three-dimensional and computationally efficient deterministic code for which the current HZETRN evaluates the lowest order asymptotic term. HZETRN is the first deterministic solution to the Boltzmann equation allowing field mapping within the International Space Station (ISS) in tens of minutes using standard Finite Element Method (FEM) geometry common to engineering design practice enabling development of integrated multidisciplinary design optimization methods. A single ray trace in ISS FEM geometry requires 14 milliseconds and severely limits application of Monte Carlo methods to such engineering models. A potential means of improving the Monte Carlo efficiency in coupling to spacecraft geometry is given in terms of reconfigurable computing and could be utilized in the final design as verification of the deterministic method optimized design.

An interactive program for pharmacokinetic modeling.

PubMed

Lu, D R; Mao, F

1993-05-01

A computer program, PharmK, was developed for pharmacokinetic modeling of experimental data. The program was written in C computer language based on the high-level user-interface Macintosh operating system. The intention was to provide a user-friendly tool for users of Macintosh computers. An interactive algorithm based on the exponential stripping method is used for the initial parameter estimation. Nonlinear pharmacokinetic model fitting is based on the maximum likelihood estimation method and is performed by the Levenberg-Marquardt method based on chi 2 criterion. Several methods are available to aid the evaluation of the fitting results. Pharmacokinetic data sets have been examined with the PharmK program, and the results are comparable with those obtained with other programs that are currently available for IBM PC-compatible and other types of computers.

An Improved Newton's Method.

ERIC Educational Resources Information Center

Mathews, John H.

1989-01-01

Describes Newton's method to locate roots of an equation using the Newton-Raphson iteration formula. Develops an adaptive method overcoming limitations of the iteration method. Provides the algorithm and computer program of the adaptive Newton-Raphson method. (YP)

Rapid Development and Distribution of Mobile Media-Rich Clinical Practice Guidelines Nationwide in Colombia.

PubMed

Flórez-Arango, José F; Sriram Iyengar, M; Caicedo, Indira T; Escobar, German

2017-01-01

Development and electronic distribution of Clinical Practice Guidelines production is costly and challenging. This poster presents a rapid method to represent existing guidelines in auditable, computer executable multimedia format. We used a technology that enables a small number of clinicians to, in a short period of time, develop a substantial amount of computer executable guidelines without programming.

New techniques for the analysis of manual control systems. [mathematical models of human operator behavior

NASA Technical Reports Server (NTRS)

Bekey, G. A.

1971-01-01

Studies are summarized on the application of advanced analytical and computational methods to the development of mathematical models of human controllers in multiaxis manual control systems. Specific accomplishments include the following: (1) The development of analytical and computer methods for the measurement of random parameters in linear models of human operators. (2) Discrete models of human operator behavior in a multiple display situation were developed. (3) Sensitivity techniques were developed which make possible the identification of unknown sampling intervals in linear systems. (4) The adaptive behavior of human operators following particular classes of vehicle failures was studied and a model structure proposed.

Convergence Acceleration of a Navier-Stokes Solver for Efficient Static Aeroelastic Computations

NASA Technical Reports Server (NTRS)

Obayashi, Shigeru; Guruswamy, Guru P.

1995-01-01

New capabilities have been developed for a Navier-Stokes solver to perform steady-state simulations more efficiently. The flow solver for solving the Navier-Stokes equations is based on a combination of the lower-upper factored symmetric Gauss-Seidel implicit method and the modified Harten-Lax-van Leer-Einfeldt upwind scheme. A numerically stable and efficient pseudo-time-marching method is also developed for computing steady flows over flexible wings. Results are demonstrated for transonic flows over rigid and flexible wings.

Iterative load-balancing method with multigrid level relaxation for particle simulation with short-range interactions

NASA Astrophysics Data System (ADS)

Furuichi, Mikito; Nishiura, Daisuke

2017-10-01

We developed dynamic load-balancing algorithms for Particle Simulation Methods (PSM) involving short-range interactions, such as Smoothed Particle Hydrodynamics (SPH), Moving Particle Semi-implicit method (MPS), and Discrete Element method (DEM). These are needed to handle billions of particles modeled in large distributed-memory computer systems. Our method utilizes flexible orthogonal domain decomposition, allowing the sub-domain boundaries in the column to be different for each row. The imbalances in the execution time between parallel logical processes are treated as a nonlinear residual. Load-balancing is achieved by minimizing the residual within the framework of an iterative nonlinear solver, combined with a multigrid technique in the local smoother. Our iterative method is suitable for adjusting the sub-domain frequently by monitoring the performance of each computational process because it is computationally cheaper in terms of communication and memory costs than non-iterative methods. Numerical tests demonstrated the ability of our approach to handle workload imbalances arising from a non-uniform particle distribution, differences in particle types, or heterogeneous computer architecture which was difficult with previously proposed methods. We analyzed the parallel efficiency and scalability of our method using Earth simulator and K-computer supercomputer systems.

Maximum entropy method applied to deblurring images on a MasPar MP-1 computer

NASA Technical Reports Server (NTRS)

Bonavito, N. L.; Dorband, John; Busse, Tim

1991-01-01

A statistical inference method based on the principle of maximum entropy is developed for the purpose of enhancing and restoring satellite images. The proposed maximum entropy image restoration method is shown to overcome the difficulties associated with image restoration and provide the smoothest and most appropriate solution consistent with the measured data. An implementation of the method on the MP-1 computer is described, and results of tests on simulated data are presented.

Vectorization of transport and diffusion computations on the CDC Cyber 205

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abu-Shumays, I.K.

1986-01-01

The development and testing of alternative numerical methods and computational algorithms specifically designed for the vectorization of transport and diffusion computations on a Control Data Corporation (CDC) Cyber 205 vector computer are described. Two solution methods for the discrete ordinates approximation to the transport equation are summarized and compared. Factors of 4 to 7 reduction in run times for certain large transport problems were achieved on a Cyber 205 as compared with run times on a CDC-7600. The solution of tridiagonal systems of linear equations, central to several efficient numerical methods for multidimensional diffusion computations and essential for fluid flowmore » and other physics and engineering problems, is also dealt with. Among the methods tested, a combined odd-even cyclic reduction and modified Cholesky factorization algorithm for solving linear symmetric positive definite tridiagonal systems is found to be the most effective for these systems on a Cyber 205. For large tridiagonal systems, computation with this algorithm is an order of magnitude faster on a Cyber 205 than computation with the best algorithm for tridiagonal systems on a CDC-7600.« less

Study of high-performance canonical molecular orbitals calculation for proteins

NASA Astrophysics Data System (ADS)

Hirano, Toshiyuki; Sato, Fumitoshi

2017-11-01

The canonical molecular orbital (CMO) calculation can help to understand chemical properties and reactions in proteins. However, it is difficult to perform the CMO calculation of proteins because of its self-consistent field (SCF) convergence problem and expensive computational cost. To certainly obtain the CMO of proteins, we work in research and development of high-performance CMO applications and perform experimental studies. We have proposed the third-generation density-functional calculation method of calculating the SCF, which is more advanced than the FILE and direct method. Our method is based on Cholesky decomposition for two-electron integrals calculation and the modified grid-free method for the pure-XC term evaluation. By using the third-generation density-functional calculation method, the Coulomb, the Fock-exchange, and the pure-XC terms can be given by simple linear algebraic procedure in the SCF loop. Therefore, we can expect to get a good parallel performance in solving the SCF problem by using a well-optimized linear algebra library such as BLAS on the distributed memory parallel computers. The third-generation density-functional calculation method is implemented to our program, ProteinDF. To achieve computing electronic structure of the large molecule, not only overcoming expensive computation cost and also good initial guess for safe SCF convergence are required. In order to prepare a precise initial guess for the macromolecular system, we have developed the quasi-canonical localized orbital (QCLO) method. The QCLO has the characteristics of both localized and canonical orbital in a certain region of the molecule. We have succeeded in the CMO calculations of proteins by using the QCLO method. For simplified and semi-automated calculation of the QCLO method, we have also developed a Python-based program, QCLObot.

2D and 3D Multiscale/Multicomponent Modeling of Impact Response of Heterogeneous Energetic Composites

DTIC Science & Technology

2016-06-01

7 Development of Cohesive Finite Element Method (CFEM) Capability ................................7 3D...Cohesive Finite Element Method (CFEM) framework A new scientific framework and technical capability is developed for the computational analyses of...this section should shift from reporting activities to reporting accomplishments. Development of Cohesive Finite Element Method (CFEM) Capability

Formal Methods Specification and Verification Guidebook for Software and Computer Systems. Volume 1; Planning and Technology Insertion

NASA Technical Reports Server (NTRS)

1995-01-01

The Formal Methods Specification and Verification Guidebook for Software and Computer Systems describes a set of techniques called Formal Methods (FM), and outlines their use in the specification and verification of computer systems and software. Development of increasingly complex systems has created a need for improved specification and verification techniques. NASA's Safety and Mission Quality Office has supported the investigation of techniques such as FM, which are now an accepted method for enhancing the quality of aerospace applications. The guidebook provides information for managers and practitioners who are interested in integrating FM into an existing systems development process. Information includes technical and administrative considerations that must be addressed when establishing the use of FM on a specific project. The guidebook is intended to aid decision makers in the successful application of FM to the development of high-quality systems at reasonable cost. This is the first volume of a planned two-volume set. The current volume focuses on administrative and planning considerations for the successful application of FM.

Chemotaxis of Amoeba proteus in the developing pH gradient within a pocket-like chamber studied with the computer assisted method.

PubMed

Korohoda, W; Golda, J; Sroka, J; Wojnarowicz, A; Jochym, P; Madeja, Z

1997-01-01

A new "U" shaped, pocket-like chamber was used to observe the chemotactic responses of individual cells. This method permits monitoring of both the development of the concentration gradient of a tested substance and cell locomotion. We investigated the chemotactic responses of Amoeba proteus and observed that the amoebae moved in positively and negatively developing [H+] gradients towards the solution of lower pH in a pH range 5.75-7.75. The chemotactic response of amoebae to [H+] gradients required the presence of extracellular calcium ions. It was blocked and random locomotion was restored by the replacement of calcium with magnesium in the cell medium. Time-lapse video recording and data processing were accomplished with computer-assisted methods. This made it possible to compare selected methods of data presentation and analysis for cells locomoting in isotropic and anisotropic conditions. The cell trajectories were determined and displayed in circular diagrams, lengths of cell tracks and final cell displacements were estimated and a few parameters characterizing cell locomotion were computed.

The silicon synapse or, neural net computing.

PubMed

Frenger, P

1989-01-01

Recent developments have rekindled interest in the electronic neural network, a form of parallel computer architecture loosely based on the nervous system of living creatures. This paper describes the elements of neural net computers, reviews the historical milestones in their development, and lists the advantages and disadvantages of their use. Methods for software simulation of neural network systems on existing computers, as well as creation of hardware analogues, are given. The most successful applications of these techniques, involving emulation of biological system responses, are presented. The author's experiences with neural net systems are discussed.

The diffusive finite state projection algorithm for efficient simulation of the stochastic reaction-diffusion master equation.

PubMed

Drawert, Brian; Lawson, Michael J; Petzold, Linda; Khammash, Mustafa

2010-02-21

We have developed a computational framework for accurate and efficient simulation of stochastic spatially inhomogeneous biochemical systems. The new computational method employs a fractional step hybrid strategy. A novel formulation of the finite state projection (FSP) method, called the diffusive FSP method, is introduced for the efficient and accurate simulation of diffusive transport. Reactions are handled by the stochastic simulation algorithm.

Rotational control of computer generated holograms.

PubMed

Preece, Daryl; Rubinsztein-Dunlop, Halina

2017-11-15

We develop a basis for three-dimensional rotation of arbitrary light fields created by computer generated holograms. By adding an extra phase function into the kinoform, any light field or holographic image can be tilted in the focal plane with minimized distortion. We present two different approaches to rotate an arbitrary hologram: the Scheimpflug method and a novel coordinate transformation method. Experimental results are presented to demonstrate the validity of both proposed methods.

Development of computer informational system of diagnostics integrated optical materials, elements, and devices

NASA Astrophysics Data System (ADS)

Volosovitch, Anatoly E.; Konopaltseva, Lyudmila I.

1995-11-01

Well-known methods of optical diagnostics, database for their storage, as well as expert system (ES) for their development are analyzed. A computer informational system is developed, which is based on a hybrid ES built on modern DBMS. As an example, the structural and constructive circuits of the hybrid integrated-optical devices based on laser diodes, diffusion waveguides, geodetic lenses, package-free linear photodiode arrays, etc. are presented. The features of methods and test results as well as the advanced directions of works related to the hybrid integrated-optical devices in the field of metrology are discussed.

Development of an assisting detection system for early infarct diagnosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sim, K. S.; Nia, M. E.; Ee, C. S.

2015-04-24

In this paper, a detection assisting system for early infarct detection is developed. This new developed method is used to assist the medical practitioners to diagnose infarct from computed tomography images of brain. Using this assisting system, the infarct could be diagnosed at earlier stages. The non-contrast computed tomography (NCCT) brain images are the data set used for this system. Detection module extracts the pixel data from NCCT brain images, and produces the colourized version of images. The proposed method showed great potential in detecting infarct, and helps medical practitioners to make earlier and better diagnoses.

Method of fan sound mode structure determination

NASA Technical Reports Server (NTRS)

Pickett, G. F.; Sofrin, T. G.; Wells, R. W.

1977-01-01

A method for the determination of fan sound mode structure in the Inlet of turbofan engines using in-duct acoustic pressure measurements is presented. The method is based on the simultaneous solution of a set of equations whose unknowns are modal amplitude and phase. A computer program for the solution of the equation set was developed. An additional computer program was developed which calculates microphone locations the use of which results in an equation set that does not give rise to numerical instabilities. In addition to the development of a method for determination of coherent modal structure, experimental and analytical approaches are developed for the determination of the amplitude frequency spectrum of randomly generated sound models for use in narrow annulus ducts. Two approaches are defined: one based on the use of cross-spectral techniques and the other based on the use of an array of microphones.

Computational Methods for Structural Mechanics and Dynamics, part 1

NASA Technical Reports Server (NTRS)

Stroud, W. Jefferson (Editor); Housner, Jerrold M. (Editor); Tanner, John A. (Editor); Hayduk, Robert J. (Editor)

1989-01-01

The structural analysis methods research has several goals. One goal is to develop analysis methods that are general. This goal of generality leads naturally to finite-element methods, but the research will also include other structural analysis methods. Another goal is that the methods be amenable to error analysis; that is, given a physical problem and a mathematical model of that problem, an analyst would like to know the probable error in predicting a given response quantity. The ultimate objective is to specify the error tolerances and to use automated logic to adjust the mathematical model or solution strategy to obtain that accuracy. A third goal is to develop structural analysis methods that can exploit parallel processing computers. The structural analysis methods research will focus initially on three types of problems: local/global nonlinear stress analysis, nonlinear transient dynamics, and tire modeling.

Image analysis and modeling in medical image computing. Recent developments and advances.

PubMed

Handels, H; Deserno, T M; Meinzer, H-P; Tolxdorff, T

2012-01-01

Medical image computing is of growing importance in medical diagnostics and image-guided therapy. Nowadays, image analysis systems integrating advanced image computing methods are used in practice e.g. to extract quantitative image parameters or to support the surgeon during a navigated intervention. However, the grade of automation, accuracy, reproducibility and robustness of medical image computing methods has to be increased to meet the requirements in clinical routine. In the focus theme, recent developments and advances in the field of modeling and model-based image analysis are described. The introduction of models in the image analysis process enables improvements of image analysis algorithms in terms of automation, accuracy, reproducibility and robustness. Furthermore, model-based image computing techniques open up new perspectives for prediction of organ changes and risk analysis of patients. Selected contributions are assembled to present latest advances in the field. The authors were invited to present their recent work and results based on their outstanding contributions to the Conference on Medical Image Computing BVM 2011 held at the University of Lübeck, Germany. All manuscripts had to pass a comprehensive peer review. Modeling approaches and model-based image analysis methods showing new trends and perspectives in model-based medical image computing are described. Complex models are used in different medical applications and medical images like radiographic images, dual-energy CT images, MR images, diffusion tensor images as well as microscopic images are analyzed. The applications emphasize the high potential and the wide application range of these methods. The use of model-based image analysis methods can improve segmentation quality as well as the accuracy and reproducibility of quantitative image analysis. Furthermore, image-based models enable new insights and can lead to a deeper understanding of complex dynamic mechanisms in the human body. Hence, model-based image computing methods are important tools to improve medical diagnostics and patient treatment in future.

Google Earth Engine: a new cloud-computing platform for global-scale earth observation data and analysis

NASA Astrophysics Data System (ADS)

Moore, R. T.; Hansen, M. C.

2011-12-01

Google Earth Engine is a new technology platform that enables monitoring and measurement of changes in the earth's environment, at planetary scale, on a large catalog of earth observation data. The platform offers intrinsically-parallel computational access to thousands of computers in Google's data centers. Initial efforts have focused primarily on global forest monitoring and measurement, in support of REDD+ activities in the developing world. The intent is to put this platform into the hands of scientists and developing world nations, in order to advance the broader operational deployment of existing scientific methods, and strengthen the ability for public institutions and civil society to better understand, manage and report on the state of their natural resources. Earth Engine currently hosts online nearly the complete historical Landsat archive of L5 and L7 data collected over more than twenty-five years. Newly-collected Landsat imagery is downloaded from USGS EROS Center into Earth Engine on a daily basis. Earth Engine also includes a set of historical and current MODIS data products. The platform supports generation, on-demand, of spatial and temporal mosaics, "best-pixel" composites (for example to remove clouds and gaps in satellite imagery), as well as a variety of spectral indices. Supervised learning methods are available over the Landsat data catalog. The platform also includes a new application programming framework, or "API", that allows scientists access to these computational and data resources, to scale their current algorithms or develop new ones. Under the covers of the Google Earth Engine API is an intrinsically-parallel image-processing system. Several forest monitoring applications powered by this API are currently in development and expected to be operational in 2011. Combining science with massive data and technology resources in a cloud-computing framework can offer advantages of computational speed, ease-of-use and collaboration, as well as transparency in data and methods. Methods developed for global processing of MODIS data to map land cover are being adopted for use with Landsat data. Specifically, the MODIS Vegetation Continuous Field product methodology has been applied for mapping forest extent and change at national scales using Landsat time-series data sets. Scaling this method to continental and global scales is enabled by Google Earth Engine computing capabilities. By combining the supervised learning VCF approach with the Landsat archive and cloud computing, unprecedented monitoring of land cover dynamics is enabled.

Development of a Nonequilibrium Radiative Heating Prediction Method for Coupled Flowfield Solutions

NASA Technical Reports Server (NTRS)

Hartung, Lin C.

1991-01-01

A method for predicting radiative heating and coupling effects in nonequilibrium flow-fields has been developed. The method resolves atomic lines with a minimum number of spectral points, and treats molecular radiation using the smeared band approximation. To further minimize computational time, the calculation is performed on an optimized spectrum, which is computed for each flow condition to enhance spectral resolution. Additional time savings are obtained by performing the radiation calculation on a subgrid optimally selected for accuracy. Representative results from the new method are compared to previous work to demonstrate that the speedup does not cause a loss of accuracy and is sufficient to make coupled solutions practical. The method is found to be a useful tool for studies of nonequilibrium flows.

A fast collocation method for a variable-coefficient nonlocal diffusion model

NASA Astrophysics Data System (ADS)

Wang, Che; Wang, Hong

2017-02-01

We develop a fast collocation scheme for a variable-coefficient nonlocal diffusion model, for which a numerical discretization would yield a dense stiffness matrix. The development of the fast method is achieved by carefully handling the variable coefficients appearing inside the singular integral operator and exploiting the structure of the dense stiffness matrix. The resulting fast method reduces the computational work from O (N3) required by a commonly used direct solver to O (Nlog ⁡ N) per iteration and the memory requirement from O (N2) to O (N). Furthermore, the fast method reduces the computational work of assembling the stiffness matrix from O (N2) to O (N). Numerical results are presented to show the utility of the fast method.

Discovery of new candidate genes related to brain development using protein interaction information.

PubMed

Chen, Lei; Chu, Chen; Kong, Xiangyin; Huang, Tao; Cai, Yu-Dong

2015-01-01

Human brain development is a dramatic process composed of a series of complex and fine-tuned spatiotemporal gene expressions. A good comprehension of this process can assist us in developing the potential of our brain. However, we have only limited knowledge about the genes and gene functions that are involved in this biological process. Therefore, a substantial demand remains to discover new brain development-related genes and identify their biological functions. In this study, we aimed to discover new brain-development related genes by building a computational method. We referred to a series of computational methods used to discover new disease-related genes and developed a similar method. In this method, the shortest path algorithm was executed on a weighted graph that was constructed using protein-protein interactions. New candidate genes fell on at least one of the shortest paths connecting two known genes that are related to brain development. A randomization test was then adopted to filter positive discoveries. Of the final identified genes, several have been reported to be associated with brain development, indicating the effectiveness of the method, whereas several of the others may have potential roles in brain development.

Symbolic programming language in molecular multicenter integral problem

NASA Astrophysics Data System (ADS)

Safouhi, Hassan; Bouferguene, Ahmed

It is well known that in any ab initio molecular orbital (MO) calculation, the major task involves the computation of molecular integrals, among which the computation of three-center nuclear attraction and Coulomb integrals is the most frequently encountered. As the molecular system becomes larger, computation of these integrals becomes one of the most laborious and time-consuming steps in molecular systems calculation. Improvement of the computational methods of molecular integrals would be indispensable to further development in computational studies of large molecular systems. To develop fast and accurate algorithms for the numerical evaluation of these integrals over B functions, we used nonlinear transformations for improving convergence of highly oscillatory integrals. These methods form the basis of new methods for solving various problems that were unsolvable otherwise and have many applications as well. To apply these nonlinear transformations, the integrands should satisfy linear differential equations with coefficients having asymptotic power series in the sense of Poincaré, which in their turn should satisfy some limit conditions. These differential equations are very difficult to obtain explicitly. In the case of molecular integrals, we used a symbolic programming language (MAPLE) to demonstrate that all the conditions required to apply these nonlinear transformation methods are satisfied. Differential equations are obtained explicitly, allowing us to demonstrate that the limit conditions are also satisfied.

Single-trial detection of visual evoked potentials by common spatial patterns and wavelet filtering for brain-computer interface.

PubMed

Tu, Yiheng; Huang, Gan; Hung, Yeung Sam; Hu, Li; Hu, Yong; Zhang, Zhiguo

2013-01-01

Event-related potentials (ERPs) are widely used in brain-computer interface (BCI) systems as input signals conveying a subject's intention. A fast and reliable single-trial ERP detection method can be used to develop a BCI system with both high speed and high accuracy. However, most of single-trial ERP detection methods are developed for offline EEG analysis and thus have a high computational complexity and need manual operations. Therefore, they are not applicable to practical BCI systems, which require a low-complexity and automatic ERP detection method. This work presents a joint spatial-time-frequency filter that combines common spatial patterns (CSP) and wavelet filtering (WF) for improving the signal-to-noise (SNR) of visual evoked potentials (VEP), which can lead to a single-trial ERP-based BCI.

A Lie-Theoretic Perspective on O(n) Mass Matrix Inversion for Serial Manipulators and Polypeptide Chains.

PubMed

Lee, Kiju; Wang, Yunfeng; Chirikjian, Gregory S

2007-11-01

Over the past several decades a number of O(n) methods for forward and inverse dynamics computations have been developed in the multi-body dynamics and robotics literature. A method was developed in 1974 by Fixman for O(n) computation of the mass-matrix determinant for a serial polymer chain consisting of point masses. In other recent papers, we extended this method in order to compute the inverse of the mass matrix for serial chains consisting of point masses. In the present paper, we extend these ideas further and address the case of serial chains composed of rigid-bodies. This requires the use of relatively deep mathematics associated with the rotation group, SO(3), and the special Euclidean group, SE(3), and specifically, it requires that one differentiates functions of Lie-group-valued argument.

Computer Technology and Education: A Policy Delphi.

ERIC Educational Resources Information Center

Steier, Lloyd P.

Realizing the educational potential of computer technology largely depends on developing appropriate policies related to the technology. A Policy Delphi method was used to identify changes in education that are both probable and possible on account of the introduction of computers, and to explore potential patterns for arriving at a desired…

Computational Modeling for Language Acquisition: A Tutorial with Syntactic Islands

ERIC Educational Resources Information Center

Pearl, Lisa S.; Sprouse, Jon

2015-01-01

Purpose: Given the growing prominence of computational modeling in the acquisition research community, we present a tutorial on how to use computational modeling to investigate learning strategies that underlie the acquisition process. This is useful for understanding both typical and atypical linguistic development. Method: We provide a general…

Computer-Based Training for Library Staff: From Demonstration to Continuing Program.

ERIC Educational Resources Information Center

Bayne, Pauline S.

1993-01-01

Describes a demonstration project developed at the University of Tennessee (Knoxville) libraries to train nonprofessional library staff with computer-based training using HyperCard that was created by librarians rather than by computer programmers. Evaluation methods are discussed, including formative and summative evaluation; and modifications…

Educationally and Cost Effective: Computers in the Classroom.

ERIC Educational Resources Information Center

Agee, Roy

1986-01-01

The author states that the educational community must provide programs that assure students they will be able to learn how to use and control computers. He discusses micro labs, prerequisites to computer literacy, curriculum development, teaching methods, simulation projects, a systems analysis project, new job titles, and primary basic skills…

Reliable Acquisition of RAM Dumps from Intel-Based Apple Mac Computers over FireWire

NASA Astrophysics Data System (ADS)

Gladyshev, Pavel; Almansoori, Afrah

RAM content acquisition is an important step in live forensic analysis of computer systems. FireWire offers an attractive way to acquire RAM content of Apple Mac computers equipped with a FireWire connection. However, the existing techniques for doing so require substantial knowledge of the target computer configuration and cannot be used reliably on a previously unknown computer in a crime scene. This paper proposes a novel method for acquiring RAM content of Apple Mac computers over FireWire, which automatically discovers necessary information about the target computer and can be used in the crime scene setting. As an application of the developed method, the techniques for recovery of AOL Instant Messenger (AIM) conversation fragments from RAM dumps are also discussed in this paper.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

NASA Astrophysics Data System (ADS)

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace such that the dimensionality of the problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2-D and a random hydraulic conductivity field in 3-D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ˜101 to ˜102 in a multicore computational environment. Therefore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate to large-scale problems.

A Method for Growing Bio-memristors from Slime Mold.

PubMed

Miranda, Eduardo Reck; Braund, Edward

2017-11-02

Our research is aimed at gaining a better understanding of the electronic properties of organisms in order to engineer novel bioelectronic systems and computing architectures based on biology. This specific paper focuses on harnessing the unicellular slime mold Physarum polycephalum to develop bio-memristors (or biological memristors) and bio-computing devices. The memristor is a resistor that possesses memory. It is the 4th fundamental passive circuit element (the other three are the resistor, the capacitor, and the inductor), which is paving the way for the design of new kinds of computing systems; e.g., computers that might relinquish the distinction between storage and a central processing unit. When applied with an AC voltage, the current vs. voltage characteristic of a memristor is a pinched hysteresis loop. It has been shown that P. polycephalum produces pinched hysteresis loops under AC voltages and displays adaptive behavior that is comparable with the functioning of a memristor. This paper presents the method that we developed for implementing bio-memristors with P. polycephalum and introduces the development of a receptacle to culture the organism, which facilitates its deployment as an electronic circuit component. Our method has proven to decrease growth time, increase component lifespan, and standardize electrical observations.

Impact design methods for ceramic components in gas turbine engines

NASA Technical Reports Server (NTRS)

Song, J.; Cuccio, J.; Kington, H.

1991-01-01

Methods currently under development to design ceramic turbine components with improved impact resistance are presented. Two different modes of impact damage are identified and characterized, i.e., structural damage and local damage. The entire computation is incorporated into the EPIC computer code. Model capability is demonstrated by simulating instrumented plate impact and particle impact tests.

Chrysler improved numerical differencing analyzer for third generation computers CINDA-3G

NASA Technical Reports Server (NTRS)

Gaski, J. D.; Lewis, D. R.; Thompson, L. R.

1972-01-01

New and versatile method has been developed to supplement or replace use of original CINDA thermal analyzer program in order to take advantage of improved systems software and machine speeds of third generation computers. CINDA-3G program options offer variety of methods for solution of thermal analog models presented in network format.

A Text-Computer Assisted Instruction Program as a Viable Alternative for Continuing Education in Laboratory Medicine.

ERIC Educational Resources Information Center

Bruce, A. Wayne

1986-01-01

Describes reasons for developing combined text and computer assisted instruction (CAI) teaching programs for delivery of continuing education to laboratory professionals, and mechanisms used for developing a CAI program on method evaluation in the clinical laboratory. Results of an evaluation of the software's cost effectiveness and instructional…

Lumber Grading With A Computer Vision System

Treesearch

Richard W. Conners; Tai-Hoon Cho; Philip A. Araman

1989-01-01

Over the past few years significant progress has been made in developing a computer vision system for locating and identifying defects on surfaced hardwood lumber. Unfortunately, until September of 1988 little research had gone into developing methods for analyzing rough lumber. This task is arguably more complex than the analysis of surfaced lumber. The prime...

NASA Workshop on Computational Structural Mechanics 1987, part 2

NASA Technical Reports Server (NTRS)

Sykes, Nancy P. (Editor)

1989-01-01

Advanced methods and testbed/simulator development topics are discussed. Computational Structural Mechanics (CSM) testbed architecture, engine structures simulation, applications to laminate structures, and a generic element processor are among the topics covered.

Optical Interconnection Via Computer-Generated Holograms

NASA Technical Reports Server (NTRS)

Liu, Hua-Kuang; Zhou, Shaomin

1995-01-01

Method of free-space optical interconnection developed for data-processing applications like parallel optical computing, neural-network computing, and switching in optical communication networks. In method, multiple optical connections between multiple sources of light in one array and multiple photodetectors in another array made via computer-generated holograms in electrically addressed spatial light modulators (ESLMs). Offers potential advantages of massive parallelism, high space-bandwidth product, high time-bandwidth product, low power consumption, low cross talk, and low time skew. Also offers advantage of programmability with flexibility of reconfiguration, including variation of strengths of optical connections in real time.

Computation of steady nozzle flow by a time-dependent method

NASA Technical Reports Server (NTRS)

Cline, M. C.

1974-01-01

The equations of motion governing steady, inviscid flow are of a mixed type, that is, hyperbolic in the supersonic region and elliptic in the subsonic region. These mathematical difficulties may be removed by using the so-called time-dependent method, where the governing equations become hyperbolic everywhere. The steady-state solution may be obtained as the asymptotic solution for large time. The object of this research was to develop a production type computer program capable of solving converging, converging-diverging, and plug two-dimensional nozzle flows in computational times of 1 min or less on a CDC 6600 computer.

Computing Evans functions numerically via boundary-value problems

NASA Astrophysics Data System (ADS)

Barker, Blake; Nguyen, Rose; Sandstede, Björn; Ventura, Nathaniel; Wahl, Colin

2018-03-01

The Evans function has been used extensively to study spectral stability of travelling-wave solutions in spatially extended partial differential equations. To compute Evans functions numerically, several shooting methods have been developed. In this paper, an alternative scheme for the numerical computation of Evans functions is presented that relies on an appropriate boundary-value problem formulation. Convergence of the algorithm is proved, and several examples, including the computation of eigenvalues for a multi-dimensional problem, are given. The main advantage of the scheme proposed here compared with earlier methods is that the scheme is linear and scalable to large problems.

Computer Drawing Method for Operating Characteristic Curve of PV Power Plant Array Unit

NASA Astrophysics Data System (ADS)

Tan, Jianbin

2018-02-01

According to the engineering design of large-scale grid-connected photovoltaic power stations and the research and development of many simulation and analysis systems, it is necessary to draw a good computer graphics of the operating characteristic curves of photovoltaic array elements and to propose a good segmentation non-linear interpolation algorithm. In the calculation method, Component performance parameters as the main design basis, the computer can get 5 PV module performances. At the same time, combined with the PV array series and parallel connection, the computer drawing of the performance curve of the PV array unit can be realized. At the same time, the specific data onto the module of PV development software can be calculated, and the good operation of PV array unit can be improved on practical application.

An improved version of NCOREL: A computer program for 3-D nonlinear supersonic potential flow computations

NASA Technical Reports Server (NTRS)

Siclari, Michael J.

1988-01-01

A computer code called NCOREL (for Nonconical Relaxation) has been developed to solve for supersonic full potential flows over complex geometries. The method first solves for the conical at the apex and then marches downstream in a spherical coordinate system. Implicit relaxation techniques are used to numerically solve the full potential equation at each subsequent crossflow plane. Many improvements have been made to the original code including more reliable numerics for computing wing-body flows with multiple embedded shocks, inlet flow through simulation, wake model and entropy corrections. Line relaxation or approximate factorization schemes are optionally available. Improved internal grid generation using analytic conformal mappings, supported by a simple geometric Harris wave drag input that was originally developed for panel methods and internal geometry package are some of the new features.

Using High Performance Computing to Examine the Processes of Neurogenesis Underlying Pattern Separation/Completion of Episodic Information.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aimone, James Bradley; Betty, Rita

Using High Performance Computing to Examine the Processes of Neurogenesis Underlying Pattern Separation/Completion of Episodic Information - Sandia researchers developed novel methods and metrics for studying the computational function of neurogenesis, thus generating substantial impact to the neuroscience and neural computing communities. This work could benefit applications in machine learning and other analysis activities.

ISMB 2016 offers outstanding science, networking, and celebration

PubMed Central

Fogg, Christiana

2016-01-01

The annual international conference on Intelligent Systems for Molecular Biology (ISMB) is the major meeting of the International Society for Computational Biology (ISCB). Over the past 23 years the ISMB conference has grown to become the world's largest bioinformatics/computational biology conference. ISMB 2016 will be the year's most important computational biology event globally. The conferences provide a multidisciplinary forum for disseminating the latest developments in bioinformatics/computational biology. ISMB brings together scientists from computer science, molecular biology, mathematics, statistics and related fields. Its principal focus is on the development and application of advanced computational methods for biological problems. ISMB 2016 offers the strongest scientific program and the broadest scope of any international bioinformatics/computational biology conference. Building on past successes, the conference is designed to cater to variety of disciplines within the bioinformatics/computational biology community.  ISMB 2016 takes place July 8 - 12 at the Swan and Dolphin Hotel in Orlando, Florida, United States. For two days preceding the conference, additional opportunities including Satellite Meetings, Student Council Symposium, and a selection of Special Interest Group Meetings and Applied Knowledge Exchange Sessions (AKES) are all offered to enable registered participants to learn more on the latest methods and tools within specialty research areas. PMID:27347392

ISMB 2016 offers outstanding science, networking, and celebration.

PubMed

Fogg, Christiana

2016-01-01

The annual international conference on Intelligent Systems for Molecular Biology (ISMB) is the major meeting of the International Society for Computational Biology (ISCB). Over the past 23 years the ISMB conference has grown to become the world's largest bioinformatics/computational biology conference. ISMB 2016 will be the year's most important computational biology event globally. The conferences provide a multidisciplinary forum for disseminating the latest developments in bioinformatics/computational biology. ISMB brings together scientists from computer science, molecular biology, mathematics, statistics and related fields. Its principal focus is on the development and application of advanced computational methods for biological problems. ISMB 2016 offers the strongest scientific program and the broadest scope of any international bioinformatics/computational biology conference. Building on past successes, the conference is designed to cater to variety of disciplines within the bioinformatics/computational biology community.  ISMB 2016 takes place July 8 - 12 at the Swan and Dolphin Hotel in Orlando, Florida, United States. For two days preceding the conference, additional opportunities including Satellite Meetings, Student Council Symposium, and a selection of Special Interest Group Meetings and Applied Knowledge Exchange Sessions (AKES) are all offered to enable registered participants to learn more on the latest methods and tools within specialty research areas.

Biomolecular computers with multiple restriction enzymes

PubMed Central

Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz

2017-01-01

Abstract The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann “bottleneck”. Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro’s group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases. PMID:29064510

Computational Electrocardiography: Revisiting Holter ECG Monitoring.

PubMed

Deserno, Thomas M; Marx, Nikolaus

2016-08-05

Since 1942, when Goldberger introduced the 12-lead electrocardiography (ECG), this diagnostic method has not been changed. After 70 years of technologic developments, we revisit Holter ECG from recording to understanding. A fundamental change is fore-seen towards "computational ECG" (CECG), where continuous monitoring is producing big data volumes that are impossible to be inspected conventionally but require efficient computational methods. We draw parallels between CECG and computational biology, in particular with respect to computed tomography, computed radiology, and computed photography. From that, we identify technology and methodology needed for CECG. Real-time transfer of raw data into meaningful parameters that are tracked over time will allow prediction of serious events, such as sudden cardiac death. Evolved from Holter's technology, portable smartphones with Bluetooth-connected textile-embedded sensors will capture noisy raw data (recording), process meaningful parameters over time (analysis), and transfer them to cloud services for sharing (handling), predicting serious events, and alarming (understanding). To make this happen, the following fields need more research: i) signal processing, ii) cycle decomposition; iii) cycle normalization, iv) cycle modeling, v) clinical parameter computation, vi) physiological modeling, and vii) event prediction. We shall start immediately developing methodology for CECG analysis and understanding.

Computational techniques for flows with finite-rate condensation

NASA Technical Reports Server (NTRS)

Candler, Graham V.

1993-01-01

A computational method to simulate the inviscid two-dimensional flow of a two-phase fluid was developed. This computational technique treats the gas phase and each of a prescribed number of particle sizes as separate fluids which are allowed to interact with one another. Thus, each particle-size class is allowed to move through the fluid at its own velocity at each point in the flow field. Mass, momentum, and energy are exchanged between each particle class and the gas phase. It is assumed that the particles do not collide with one another, so that there is no inter-particle exchange of momentum and energy. However, the particles are allowed to grow, and therefore, they may change from one size class to another. Appropriate rates of mass, momentum, and energy exchange between the gas and particle phases and between the different particle classes were developed. A numerical method was developed for use with this equation set. Several test cases were computed and show qualitative agreement with previous calculations.

DEVELOPMENT OF LOW-DIFFUSION FLUX-SPLITTING METHODS FOR DENSE GAS-SOLID FLOWS

EPA Science Inventory

The development of a class of low-diffusion upwinding methods for computing dense gas-solid flows is presented in this work. An artificial compressibility/low-Mach preconditioning strategy is developed for a hyperbolic two-phase flow equation system consisting of separate solids ...

Pulse cleaning flow models and numerical computation of candle ceramic filters.

PubMed

Tian, Gui-shan; Ma, Zhen-ji; Zhang, Xin-yi; Xu, Ting-xiang

2002-04-01

Analytical and numerical computed models are developed for reverse pulse cleaning system of candle ceramic filters. A standard turbulent model is demonstrated suitably to the designing computation of reverse pulse cleaning system from the experimental and one-dimensional computational result. The computed results can be used to guide the designing of reverse pulse cleaning system, which is optimum Venturi geometry. From the computed results, the general conclusions and the designing methods are obtained.

Practical Use of Computationally Frugal Model Analysis Methods

DOE PAGES

Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; ...

2015-03-21

Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugalmore » methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts« less

Development and applications of two computational procedures for determining the vibration modes of structural systems. [aircraft structures - aerospaceplanes

NASA Technical Reports Server (NTRS)

Kvaternik, R. G.

1975-01-01

Two computational procedures for analyzing complex structural systems for their natural modes and frequencies of vibration are presented. Both procedures are based on a substructures methodology and both employ the finite-element stiffness method to model the constituent substructures. The first procedure is a direct method based on solving the eigenvalue problem associated with a finite-element representation of the complete structure. The second procedure is a component-mode synthesis scheme in which the vibration modes of the complete structure are synthesized from modes of substructures into which the structure is divided. The analytical basis of the methods contains a combination of features which enhance the generality of the procedures. The computational procedures exhibit a unique utilitarian character with respect to the versatility, computational convenience, and ease of computer implementation. The computational procedures were implemented in two special-purpose computer programs. The results of the application of these programs to several structural configurations are shown and comparisons are made with experiment.

A Computer Simulation of Community Pharmacy Practice for Educational Use.

PubMed

Bindoff, Ivan; Ling, Tristan; Bereznicki, Luke; Westbury, Juanita; Chalmers, Leanne; Peterson, Gregory; Ollington, Robert

2014-11-15

To provide a computer-based learning method for pharmacy practice that is as effective as paper-based scenarios, but more engaging and less labor-intensive. We developed a flexible and customizable computer simulation of community pharmacy. Using it, the students would be able to work through scenarios which encapsulate the entirety of a patient presentation. We compared the traditional paper-based teaching method to our computer-based approach using equivalent scenarios. The paper-based group had 2 tutors while the computer group had none. Both groups were given a prescenario and postscenario clinical knowledge quiz and survey. Students in the computer-based group had generally greater improvements in their clinical knowledge score, and third-year students using the computer-based method also showed more improvements in history taking and counseling competencies. Third-year students also found the simulation fun and engaging. Our simulation of community pharmacy provided an educational experience as effective as the paper-based alternative, despite the lack of a human tutor.

Development and Validation of a Fast, Accurate and Cost-Effective Aeroservoelastic Method on Advanced Parallel Computing Systems

NASA Technical Reports Server (NTRS)

Goodwin, Sabine A.; Raj, P.

1999-01-01

Progress to date towards the development and validation of a fast, accurate and cost-effective aeroelastic method for advanced parallel computing platforms such as the IBM SP2 and the SGI Origin 2000 is presented in this paper. The ENSAERO code, developed at the NASA-Ames Research Center has been selected for this effort. The code allows for the computation of aeroelastic responses by simultaneously integrating the Euler or Navier-Stokes equations and the modal structural equations of motion. To assess the computational performance and accuracy of the ENSAERO code, this paper reports the results of the Navier-Stokes simulations of the transonic flow over a flexible aeroelastic wing body configuration. In addition, a forced harmonic oscillation analysis in the frequency domain and an analysis in the time domain are done on a wing undergoing a rigid pitch and plunge motion. Finally, to demonstrate the ENSAERO flutter-analysis capability, aeroelastic Euler and Navier-Stokes computations on an L-1011 wind tunnel model including pylon, nacelle and empennage are underway. All computational solutions are compared with experimental data to assess the level of accuracy of ENSAERO. As the computations described above are performed, a meticulous log of computational performance in terms of wall clock time, execution speed, memory and disk storage is kept. Code scalability is also demonstrated by studying the impact of varying the number of processors on computational performance on the IBM SP2 and the Origin 2000 systems.

Advances in medical image computing.

PubMed

Tolxdorff, T; Deserno, T M; Handels, H; Meinzer, H-P

2009-01-01

Medical image computing has become a key technology in high-tech applications in medicine and an ubiquitous part of modern imaging systems and the related processes of clinical diagnosis and intervention. Over the past years significant progress has been made in the field, both on methodological and on application level. Despite this progress there are still big challenges to meet in order to establish image processing routinely in health care. In this issue, selected contributions of the German Conference on Medical Image Processing (BVM) are assembled to present latest advances in the field of medical image computing. The winners of scientific awards of the German Conference on Medical Image Processing (BVM) 2008 were invited to submit a manuscript on their latest developments and results for possible publication in Methods of Information in Medicine. Finally, seven excellent papers were selected to describe important aspects of recent advances in the field of medical image processing. The selected papers give an impression of the breadth and heterogeneity of new developments. New methods for improved image segmentation, non-linear image registration and modeling of organs are presented together with applications of image analysis methods in different medical disciplines. Furthermore, state-of-the-art tools and techniques to support the development and evaluation of medical image processing systems in practice are described. The selected articles describe different aspects of the intense development in medical image computing. The image processing methods presented enable new insights into the patient's image data and have the future potential to improve medical diagnostics and patient treatment.

Techniques for estimating the magnitude and frequency of floods in rural basins of South Carolina, 1999

USGS Publications Warehouse

Feaster, Toby D.; Tasker, Gary D.

2002-01-01

Data from 167 streamflow-gaging stations in or near South Carolina with 10 or more years of record through September 30, 1999, were used to develop two methods for estimating the magnitude and frequency of floods in South Carolina for rural ungaged basins that are not significantly affected by regulation. Flood frequency estimates for 54 gaged sites in South Carolina were computed by fitting the water-year peak flows for each site to a log-Pearson Type III distribution. As part of the computation of flood-frequency estimates for gaged sites, new values for generalized skew coefficients were developed. Flood-frequency analyses also were made for gaging stations that drain basins from more than one physiographic province. The U.S. Geological Survey, in cooperation with the South Carolina Department of Transportation, updated these data from previous flood-frequency reports to aid officials who are active in floodplain management as well as those who design bridges, culverts, and levees, or other structures near streams where flooding is likely to occur. Regional regression analysis, using generalized least squares regression, was used to develop a set of predictive equations that can be used to estimate the 2-, 5-, 10-, 25-, 50-, 100-, 200-, and 500-year recurrence-interval flows for rural ungaged basins in the Blue Ridge, Piedmont, upper Coastal Plain, and lower Coastal Plain physiographic provinces of South Carolina. The predictive equations are all functions of drainage area. Average errors of prediction for these regression equations ranged from -16 to 19 percent for the 2-year recurrence-interval flow in the upper Coastal Plain to -34 to 52 percent for the 500-year recurrence interval flow in the lower Coastal Plain. A region-of-influence method also was developed that interactively estimates recurrence- interval flows for rural ungaged basins in the Blue Ridge of South Carolina. The region-of-influence method uses regression techniques to develop a unique relation between flow and basin characteristics for an individual watershed. This, then, can be used to estimate flows at ungaged sites. Because the computations required for this method are somewhat complex, a computer application was developed that performs the computations and compares the predictive errors for this method. The computer application includes the option of using the region-of-influence method, or the generalized least squares regression equations from this report to compute estimated flows and errors of prediction specific to each ungaged site. From a comparison of predictive errors using the region-of-influence method with those computed using the regional regression method, the region-of-influence method performed systematically better only in the Blue Ridge and is, therefore, not recommended for use in the other physiographic provinces. Peak-flow data for the South Carolina stations used in the regionalization study are provided in appendix A, which contains gaging station information, log-Pearson Type III statistics, information on stage-flow relations, and water-year peak stages and flows. For informational purposes, water-year peak-flow data for stations on regulated streams in South Carolina also are provided in appendix D. Other information pertaining to the regulated streams is provided in the text of the report.

A risk assessment method for multi-site damage

NASA Astrophysics Data System (ADS)

Millwater, Harry Russell, Jr.

This research focused on developing probabilistic methods suitable for computing small probabilities of failure, e.g., 10sp{-6}, of structures subject to multi-site damage (MSD). MSD is defined as the simultaneous development of fatigue cracks at multiple sites in the same structural element such that the fatigue cracks may coalesce to form one large crack. MSD is modeled as an array of collinear cracks with random initial crack lengths with the centers of the initial cracks spaced uniformly apart. The data used was chosen to be representative of aluminum structures. The structure is considered failed whenever any two adjacent cracks link up. A fatigue computer model is developed that can accurately and efficiently grow a collinear array of arbitrary length cracks from initial size until failure. An algorithm is developed to compute the stress intensity factors of all cracks considering all interaction effects. The probability of failure of two to 100 cracks is studied. Lower bounds on the probability of failure are developed based upon the probability of the largest crack exceeding a critical crack size. The critical crack size is based on the initial crack size that will grow across the ligament when the neighboring crack has zero length. The probability is evaluated using extreme value theory. An upper bound is based on the probability of the maximum sum of initial cracks being greater than a critical crack size. A weakest link sampling approach is developed that can accurately and efficiently compute small probabilities of failure. This methodology is based on predicting the weakest link, i.e., the two cracks to link up first, for a realization of initial crack sizes, and computing the cycles-to-failure using these two cracks. Criteria to determine the weakest link are discussed. Probability results using the weakest link sampling method are compared to Monte Carlo-based benchmark results. The results indicate that very small probabilities can be computed accurately in a few minutes using a Hewlett-Packard workstation.

Rapid indirect trajectory optimization on highly parallel computing architectures

NASA Astrophysics Data System (ADS)

Antony, Thomas

Trajectory optimization is a field which can benefit greatly from the advantages offered by parallel computing. The current state-of-the-art in trajectory optimization focuses on the use of direct optimization methods, such as the pseudo-spectral method. These methods are favored due to their ease of implementation and large convergence regions while indirect methods have largely been ignored in the literature in the past decade except for specific applications in astrodynamics. It has been shown that the shortcomings conventionally associated with indirect methods can be overcome by the use of a continuation method in which complex trajectory solutions are obtained by solving a sequence of progressively difficult optimization problems. High performance computing hardware is trending towards more parallel architectures as opposed to powerful single-core processors. Graphics Processing Units (GPU), which were originally developed for 3D graphics rendering have gained popularity in the past decade as high-performance, programmable parallel processors. The Compute Unified Device Architecture (CUDA) framework, a parallel computing architecture and programming model developed by NVIDIA, is one of the most widely used platforms in GPU computing. GPUs have been applied to a wide range of fields that require the solution of complex, computationally demanding problems. A GPU-accelerated indirect trajectory optimization methodology which uses the multiple shooting method and continuation is developed using the CUDA platform. The various algorithmic optimizations used to exploit the parallelism inherent in the indirect shooting method are described. The resulting rapid optimal control framework enables the construction of high quality optimal trajectories that satisfy problem-specific constraints and fully satisfy the necessary conditions of optimality. The benefits of the framework are highlighted by construction of maximum terminal velocity trajectories for a hypothetical long range weapon system. The techniques used to construct an initial guess from an analytic near-ballistic trajectory and the methods used to formulate the necessary conditions of optimality in a manner that is transparent to the designer are discussed. Various hypothetical mission scenarios that enforce different combinations of initial, terminal, interior point and path constraints demonstrate the rapid construction of complex trajectories without requiring any a-priori insight into the structure of the solutions. Trajectory problems of this kind were previously considered impractical to solve using indirect methods. The performance of the GPU-accelerated solver is found to be 2x--4x faster than MATLAB's bvp4c, even while running on GPU hardware that is five years behind the state-of-the-art.

Multimodal neuroelectric interface development

NASA Technical Reports Server (NTRS)

Trejo, Leonard J.; Wheeler, Kevin R.; Jorgensen, Charles C.; Rosipal, Roman; Clanton, Sam T.; Matthews, Bryan; Hibbs, Andrew D.; Matthews, Robert; Krupka, Michael

2003-01-01

We are developing electromyographic and electroencephalographic methods, which draw control signals for human-computer interfaces from the human nervous system. We have made progress in four areas: 1) real-time pattern recognition algorithms for decoding sequences of forearm muscle activity associated with control gestures; 2) signal-processing strategies for computer interfaces using electroencephalogram (EEG) signals; 3) a flexible computation framework for neuroelectric interface research; and d) noncontact sensors, which measure electromyogram or EEG signals without resistive contact to the body.

Computational Fluid Dynamics. [numerical methods and algorithm development

NASA Technical Reports Server (NTRS)

1992-01-01

This collection of papers was presented at the Computational Fluid Dynamics (CFD) Conference held at Ames Research Center in California on March 12 through 14, 1991. It is an overview of CFD activities at NASA Lewis Research Center. The main thrust of computational work at Lewis is aimed at propulsion systems. Specific issues related to propulsion CFD and associated modeling will also be presented. Examples of results obtained with the most recent algorithm development will also be presented.

Hybrid massively parallel fast sweeping method for static Hamilton-Jacobi equations

NASA Astrophysics Data System (ADS)

Detrixhe, Miles; Gibou, Frédéric

2016-10-01

The fast sweeping method is a popular algorithm for solving a variety of static Hamilton-Jacobi equations. Fast sweeping algorithms for parallel computing have been developed, but are severely limited. In this work, we present a multilevel, hybrid parallel algorithm that combines the desirable traits of two distinct parallel methods. The fine and coarse grained components of the algorithm take advantage of heterogeneous computer architecture common in high performance computing facilities. We present the algorithm and demonstrate its effectiveness on a set of example problems including optimal control, dynamic games, and seismic wave propagation. We give results for convergence, parallel scaling, and show state-of-the-art speedup values for the fast sweeping method.

A third-generation density-functional-theory-based method for calculating canonical molecular orbitals of large molecules.

PubMed

Hirano, Toshiyuki; Sato, Fumitoshi

2014-07-28

We used grid-free modified Cholesky decomposition (CD) to develop a density-functional-theory (DFT)-based method for calculating the canonical molecular orbitals (CMOs) of large molecules. Our method can be used to calculate standard CMOs, analytically compute exchange-correlation terms, and maximise the capacity of next-generation supercomputers. Cholesky vectors were first analytically downscaled using low-rank pivoted CD and CD with adaptive metric (CDAM). The obtained Cholesky vectors were distributed and stored on each computer node in a parallel computer, and the Coulomb, Fock exchange, and pure exchange-correlation terms were calculated by multiplying the Cholesky vectors without evaluating molecular integrals in self-consistent field iterations. Our method enables DFT and massively distributed memory parallel computers to be used in order to very efficiently calculate the CMOs of large molecules.

Cross-bispectrum computation and variance estimation

NASA Technical Reports Server (NTRS)

Lii, K. S.; Helland, K. N.

1981-01-01

A method for the estimation of cross-bispectra of discrete real time series is developed. The asymptotic variance properties of the bispectrum are reviewed, and a method for the direct estimation of bispectral variance is given. The symmetry properties are described which minimize the computations necessary to obtain a complete estimate of the cross-bispectrum in the right-half-plane. A procedure is given for computing the cross-bispectrum by subdividing the domain into rectangular averaging regions which help reduce the variance of the estimates and allow easy application of the symmetry relationships to minimize the computational effort. As an example of the procedure, the cross-bispectrum of a numerically generated, exponentially distributed time series is computed and compared with theory.

Condition Number Estimation of Preconditioned Matrices

PubMed Central

Kushida, Noriyuki

2015-01-01

The present paper introduces a condition number estimation method for preconditioned matrices. The newly developed method provides reasonable results, while the conventional method which is based on the Lanczos connection gives meaningless results. The Lanczos connection based method provides the condition numbers of coefficient matrices of systems of linear equations with information obtained through the preconditioned conjugate gradient method. Estimating the condition number of preconditioned matrices is sometimes important when describing the effectiveness of new preconditionerers or selecting adequate preconditioners. Operating a preconditioner on a coefficient matrix is the simplest method of estimation. However, this is not possible for large-scale computing, especially if computation is performed on distributed memory parallel computers. This is because, the preconditioned matrices become dense, even if the original matrices are sparse. Although the Lanczos connection method can be used to calculate the condition number of preconditioned matrices, it is not considered to be applicable to large-scale problems because of its weakness with respect to numerical errors. Therefore, we have developed a robust and parallelizable method based on Hager’s method. The feasibility studies are curried out for the diagonal scaling preconditioner and the SSOR preconditioner with a diagonal matrix, a tri-daigonal matrix and Pei’s matrix. As a result, the Lanczos connection method contains around 10% error in the results even with a simple problem. On the other hand, the new method contains negligible errors. In addition, the newly developed method returns reasonable solutions when the Lanczos connection method fails with Pei’s matrix, and matrices generated with the finite element method. PMID:25816331

Active Control of Fan Noise: Feasibility Study. Volume 5; Numerical Computation of Acoustic Mode Reflection Coefficients for an Unflanged Cylindrical Duct

NASA Technical Reports Server (NTRS)

Kraft, R. E.

1996-01-01

A computational method to predict modal reflection coefficients in cylindrical ducts has been developed based on the work of Homicz, Lordi, and Rehm, which uses the Wiener-Hopf method to account for the boundary conditions at the termination of a thin cylindrical pipe. The purpose of this study is to develop a computational routine to predict the reflection coefficients of higher order acoustic modes impinging on the unflanged termination of a cylindrical duct. This effort was conducted wider Task Order 5 of the NASA Lewis LET Program, Active Noise Control of aircraft Engines: Feasibility Study, and will be used as part of the development of an integrated source noise, acoustic propagation, ANC actuator coupling, and control system algorithm simulation. The reflection coefficient prediction will be incorporated into an existing cylindrical duct modal analysis to account for the reflection of modes from the duct termination. This will provide a more accurate, rapid computation design tool for evaluating the effect of reflected waves on active noise control systems mounted in the duct, as well as providing a tool for the design of acoustic treatment in inlet ducts. As an active noise control system design tool, the method can be used preliminary to more accurate but more numerically intensive acoustic propagation models such as finite element methods. The resulting computer program has been shown to give reasonable results, some examples of which are presented. Reliable data to use for comparison is scarce, so complete checkout is difficult, and further checkout is needed over a wider range of system parameters. In future efforts the method will be adapted as a subroutine to the GEAE segmented cylindrical duct modal analysis program.

Agent-Based Multicellular Modeling for Predictive Toxicology

EPA Science Inventory

Biological modeling is a rapidly growing field that has benefited significantly from recent technological advances, expanding traditional methods with greater computing power, parameter-determination algorithms, and the development of novel computational approaches to modeling bi...

Correlative multiple porosimetries for reservoir sandstones with adoption of a new reference-sample-guided computed-tomographic method.

PubMed

Jin, Jae Hwa; Kim, Junho; Lee, Jeong-Yil; Oh, Young Min

2016-07-22

One of the main interests in petroleum geology and reservoir engineering is to quantify the porosity of reservoir beds as accurately as possible. A variety of direct measurements, including methods of mercury intrusion, helium injection and petrographic image analysis, have been developed; however, their application frequently yields equivocal results because these methods are different in theoretical bases, means of measurement, and causes of measurement errors. Here, we present a set of porosities measured in Berea Sandstone samples by the multiple methods, in particular with adoption of a new method using computed tomography and reference samples. The multiple porosimetric data show a marked correlativeness among different methods, suggesting that these methods are compatible with each other. The new method of reference-sample-guided computed tomography is more effective than the previous methods when the accompanied merits such as experimental conveniences are taken into account.

Correlative multiple porosimetries for reservoir sandstones with adoption of a new reference-sample-guided computed-tomographic method

PubMed Central

Jin, Jae Hwa; Kim, Junho; Lee, Jeong-Yil; Oh, Young Min

2016-01-01

One of the main interests in petroleum geology and reservoir engineering is to quantify the porosity of reservoir beds as accurately as possible. A variety of direct measurements, including methods of mercury intrusion, helium injection and petrographic image analysis, have been developed; however, their application frequently yields equivocal results because these methods are different in theoretical bases, means of measurement, and causes of measurement errors. Here, we present a set of porosities measured in Berea Sandstone samples by the multiple methods, in particular with adoption of a new method using computed tomography and reference samples. The multiple porosimetric data show a marked correlativeness among different methods, suggesting that these methods are compatible with each other. The new method of reference-sample-guided computed tomography is more effective than the previous methods when the accompanied merits such as experimental conveniences are taken into account. PMID:27445105

Computational Methods for MOF/Polymer Membranes.

PubMed

Erucar, Ilknur; Keskin, Seda

2016-04-01

Metal-organic framework (MOF)/polymer mixed matrix membranes (MMMs) have received significant interest in the last decade. MOFs are incorporated into polymers to make MMMs that exhibit improved gas permeability and selectivity compared with pure polymer membranes. The fundamental challenge in this area is to choose the appropriate MOF/polymer combinations for a gas separation of interest. Even if a single polymer is considered, there are thousands of MOFs that could potentially be used as fillers in MMMs. As a result, there has been a large demand for computational studies that can accurately predict the gas separation performance of MOF/polymer MMMs prior to experiments. We have developed computational approaches to assess gas separation potentials of MOF/polymer MMMs and used them to identify the most promising MOF/polymer pairs. In this Personal Account, we aim to provide a critical overview of current computational methods for modeling MOF/polymer MMMs. We give our perspective on the background, successes, and failures that led to developments in this area and discuss the opportunities and challenges of using computational methods for MOF/polymer MMMs. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Joint the Center for Applied Scientific Computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gamblin, Todd; Bremer, Timo; Van Essen, Brian

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

Research in applied mathematics, numerical analysis, and computer science

NASA Technical Reports Server (NTRS)

1984-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering (ICASE) in applied mathematics, numerical analysis, and computer science is summarized and abstracts of published reports are presented. The major categories of the ICASE research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers.

A modified Finite Element-Transfer Matrix for control design of space structures

NASA Technical Reports Server (NTRS)

Tan, T.-M.; Yousuff, A.; Bahar, L. Y.; Konstandinidis, M.

1990-01-01

The Finite Element-Transfer Matrix (FETM) method was developed for reducing the computational efforts involved in structural analysis. While being widely used by structural analysts, this method does, however, have certain limitations, particularly when used for the control design of large flexible structures. In this paper, a new formulation based on the FETM method is presented. The new method effectively overcomes the limitations in the original FETM method, and also allows an easy construction of reduced models that are tailored for the control design. Other advantages of this new method include the ability to extract open loop frequencies and mode shapes with less computation, and simplification of the design procedures for output feedback, constrained compensation, and decentralized control. The development of this new method and the procedures for generating reduced models using this method are described in detail and the role of the reduced models in control design is discussed through an illustrative example.

Method for the Direct Solve of the Many-Body Schrödinger Wave Equation

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Tymczak, C. J.; Poirier, Bill

We report on theoretical and computational developments towards a computationally efficient direct solve of the many-body Schrödinger wave equation for electronic systems. This methodology relies on two recent developments pioneered by the authors: 1) the development of a Cardinal Sine basis for electronic structure calculations; and 2) the development of a highly efficient and compact representation of multidimensional functions using the Canonical tensor rank representation developed by Belykin et. al. which we have adapted to electronic structure problems. We then show several relevant examples of the utility and accuracy of this methodology, scaling with system size, and relevant convergence issues of the methodology. Method for the Direct Solve of the Many-Body Schrödinger Wave Equation.

Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems

PubMed Central

Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

2006-01-01

Background We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. Results We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Conclusion Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems. PMID:17081289

Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems.

PubMed

Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

2006-11-02

We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems.

Cloud Computing as a Core Discipline in a Technology Entrepreneurship Program

ERIC Educational Resources Information Center

Lawler, James; Joseph, Anthony

2012-01-01

Education in entrepreneurship continues to be a developing area of curricula for computer science and information systems students. Entrepreneurship is enabled frequently by cloud computing methods that furnish benefits to especially medium and small-sized firms. Expanding upon an earlier foundation paper, the authors of this paper present an…

Computer analysis of arteriograms

NASA Technical Reports Server (NTRS)

Selzer, R. H.; Armstrong, J. H.; Beckenbach, E. B.; Blankenhorn, D. H.; Crawford, D. W.; Brooks, S. H.; Sanmarco, M. E.

1977-01-01

A computer system has been developed to quantify the degree of atherosclerosis in the human femoral artery. The analysis involves first scanning and digitizing angiographic film, then tracking the outline of the arterial image and finally computing the relative amount of roughness or irregularity in the vessel wall. The image processing system and method are described.

 The application of computational chemistry to lignin

Treesearch

Thomas Elder; Laura Berstis; Nele Sophie Zwirchmayr; Gregg T. Beckham; Michael F. Crowley

2017-01-01

Computational chemical methods have become an important technique in the examination of the structure and reactivity of lignin. The calculations can be based either on classical or quantum mechanics, with concomitant differences in computational intensity and size restrictions. The current paper will concentrate on results developed from the latter type of calculations...

Systems analysis of the space shuttle. [communication systems, computer systems, and power distribution

NASA Technical Reports Server (NTRS)

Schilling, D. L.; Oh, S. J.; Thau, F.

1975-01-01

Developments in communications systems, computer systems, and power distribution systems for the space shuttle are described. The use of high speed delta modulation for bit rate compression in the transmission of television signals is discussed. Simultaneous Multiprocessor Organization, an approach to computer organization, is presented. Methods of computer simulation and automatic malfunction detection for the shuttle power distribution system are also described.

Computer methods for sampling from the gamma distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, M.E.; Tadikamalla, P.R.

1978-01-01

Considerable attention has recently been directed at developing ever faster algorithms for generating gamma random variates on digital computers. This paper surveys the current state of the art including the leading algorithms of Ahrens and Dieter, Atkinson, Cheng, Fishman, Marsaglia, Tadikamalla, and Wallace. General random variate generation techniques are explained with reference to these gamma algorithms. Computer simulation experiments on IBM and CDC computers are reported.

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

NASA Technical Reports Server (NTRS)

Cole, Gary L.; Melcher, Kevin J.; Chicatelli, Amy K.; Hartley, Tom T.; Chung, Joongkee

1994-01-01

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

Computed tomography: Will the slices reveal the truth

PubMed Central

Haridas, Harish; Mohan, Abarajithan; Papisetti, Sravanthi; Ealla, Kranti K. R.

2016-01-01

With the advances in the field of imaging sciences, new methods have been developed in dental radiology. These include digital radiography, density analyzing methods, cone beam computed tomography (CBCT), magnetic resonance imaging, ultrasound, and nuclear imaging techniques, which provide high-resolution detailed images of oral structures. The current review aims to critically elaborate the use of CBCT in endodontics. PMID:27652253

Optimal shield mass distribution for space radiation protection

NASA Technical Reports Server (NTRS)

Billings, M. P.

1972-01-01

Computational methods have been developed and successfully used for determining the optimum distribution of space radiation shielding on geometrically complex space vehicles. These methods have been incorporated in computer program SWORD for dose evaluation in complex geometry, and iteratively calculating the optimum distribution for (minimum) shield mass satisfying multiple acute and protected dose constraints associated with each of several body organs.

Northwest Montana/North Idaho transmission corridor study: a computer-assisted corridor location and impact evaluation assessment

Treesearch

Timothy J. Murray; Daniel J. Bisenius; Jay G. Marcotte

1979-01-01

A computer-assisted method was used to locate and evaluate approximately 1,200 miles of alternative corridors within an 8,000 square mile study region. The method involved in-depth impact analyses for nine major location criteria or determinant models. Regional "experts" from the Rocky Mountain area participated with BPA in developing model structure....

Iterative computation of generalized inverses, with an application to CMG steering laws

NASA Technical Reports Server (NTRS)

Steincamp, J. W.

1971-01-01

A cubically convergent iterative method for computing the generalized inverse of an arbitrary M X N matrix A is developed and a FORTRAN subroutine by which the method was implemented for real matrices on a CDC 3200 is given, with a numerical example to illustrate accuracy. Application to a redundant single-gimbal CMG assembly steering law is discussed.

Computer technique for simulating the combustion of cellulose and other fuels

Treesearch

Andrew M. Stein; Brian W. Bauske

1971-01-01

A computer method has been developed for simulating the combustion of wood and other cellulosic fuels. The products of combustion are used as input for a convection model that slimulates real fires. The method allows the chemical process to proceed to equilibrium and then examines the effects of mass addition and repartitioning on the fluid mechanics of the convection...

Computer Laboratory for Multi-scale Simulations of Novel Nanomaterials

DTIC Science & Technology

2014-09-15

schemes for multiscale modeling of polymers. Permselective ion-exchange membranes for protective clothing, fuel cells , and batteries are of special...polyelectrolyte membranes ( PEM ) with chemical warfare agents (CWA) and their simulants and (2) development of new simulation methods and computational...chemical potential using gauge cell method and calculation of density profiles. However, the code does not run in parallel environments. For mesoscale

Calculus domains modelled using an original bool algebra based on polygons

NASA Astrophysics Data System (ADS)

Oanta, E.; Panait, C.; Raicu, A.; Barhalescu, M.; Axinte, T.

2016-08-01

Analytical and numerical computer based models require analytical definitions of the calculus domains. The paper presents a method to model a calculus domain based on a bool algebra which uses solid and hollow polygons. The general calculus relations of the geometrical characteristics that are widely used in mechanical engineering are tested using several shapes of the calculus domain in order to draw conclusions regarding the most effective methods to discretize the domain. The paper also tests the results of several CAD commercial software applications which are able to compute the geometrical characteristics, being drawn interesting conclusions. The tests were also targeting the accuracy of the results vs. the number of nodes on the curved boundary of the cross section. The study required the development of an original software consisting of more than 1700 computer code lines. In comparison with other calculus methods, the discretization using convex polygons is a simpler approach. Moreover, this method doesn't lead to large numbers as the spline approximation did, in that case being required special software packages in order to offer multiple, arbitrary precision. The knowledge resulted from this study may be used to develop complex computer based models in engineering.

TomoBank: a tomographic data repository for computational x-ray science

NASA Astrophysics Data System (ADS)

De Carlo, Francesco; Gürsoy, Doğa; Ching, Daniel J.; Joost Batenburg, K.; Ludwig, Wolfgang; Mancini, Lucia; Marone, Federica; Mokso, Rajmund; Pelt, Daniël M.; Sijbers, Jan; Rivers, Mark

2018-03-01

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology have made sub-second and multi-energy tomographic data collection possible (Gibbs et al 2015 Sci. Rep. 5 11824), but have also increased the demand to develop new reconstruction methods able to handle in situ (Pelt and Batenburg 2013 IEEE Trans. Image Process. 22 5238-51) and dynamic systems (Mohan et al 2015 IEEE Trans. Comput. Imaging 1 96-111) that can be quickly incorporated in beamline production software (Gürsoy et al 2014 J. Synchrotron Radiat. 21 1188-93). The x-ray tomography data bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging datasets and their descriptors.

TomoBank: a tomographic data repository for computational x-ray science

DOE PAGES

De Carlo, Francesco; Gürsoy, Doğa; Ching, Daniel J.; ...

2018-02-08

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology made sub-second and multi-energy tomographic data collection possible [1], but also increased the demand to develop new reconstruction methods able to handle in-situ [2] and dynamic systems [3] that can be quickly incorporated in beamline production software [4]. The X-ray Tomography Datamore » Bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging dataset and their descriptors.« less

Development and Initial Psychometric Properties of the Computer Assisted Maltreatment Inventory (CAMI): A Comprehensive Self-Report Measure of Child Maltreatment History

ERIC Educational Resources Information Center

DiLillo, David; Hayes-Skelton, Sarah A.; Fortier, Michelle A.; Perry, Andrea R.; Evans, Sarah E.; Messman Moore, Terri L.; Walsh, Kate; Nash, Cindy; Fauchier, Angele

2010-01-01

Objectives: The present study reports on the development and initial psychometric properties of the Computer Assisted Maltreatment Inventory (CAMI), a web-based self-report measure of child maltreatment history, including sexual and physical abuse, exposure to interparental violence, psychological abuse, and neglect. Methods: The CAMI was…

Developing Face-to-Face Argumentation Skills: Does Arguing on the Computer Help?

ERIC Educational Resources Information Center

Iordanou, Kalypso

2013-01-01

Arguing on the computer was used as a method to promote development of face-to-face argumentation skills in middle schoolers. In the study presented, sixth graders engaged in electronic dialogues with peers on a controversial topic and in some reflective activities based on transcriptions of the dialogues. Although participants initially exhibited…

Molecular robots with sensors and intelligence.

PubMed

Hagiya, Masami; Konagaya, Akihiko; Kobayashi, Satoshi; Saito, Hirohide; Murata, Satoshi

2014-06-17

CONSPECTUS: What we can call a molecular robot is a set of molecular devices such as sensors, logic gates, and actuators integrated into a consistent system. The molecular robot is supposed to react autonomously to its environment by receiving molecular signals and making decisions by molecular computation. Building such a system has long been a dream of scientists; however, despite extensive efforts, systems having all three functions (sensing, computation, and actuation) have not been realized yet. This Account introduces an ongoing research project that focuses on the development of molecular robotics funded by MEXT (Ministry of Education, Culture, Sports, Science and Technology, Japan). This 5 year project started in July 2012 and is titled "Development of Molecular Robots Equipped with Sensors and Intelligence". The major issues in the field of molecular robotics all correspond to a feedback (i.e., plan-do-see) cycle of a robotic system. More specifically, these issues are (1) developing molecular sensors capable of handling a wide array of signals, (2) developing amplification methods of signals to drive molecular computing devices, (3) accelerating molecular computing, (4) developing actuators that are controllable by molecular computers, and (5) providing bodies of molecular robots encapsulating the above molecular devices, which implement the conformational changes and locomotion of the robots. In this Account, the latest contributions to the project are reported. There are four research teams in the project that specialize on sensing, intelligence, amoeba-like actuation, and slime-like actuation, respectively. The molecular sensor team is focusing on the development of molecular sensors that can handle a variety of signals. This team is also investigating methods to amplify signals from the molecular sensors. The molecular intelligence team is developing molecular computers and is currently focusing on a new photochemical technology for accelerating DNA-based computations. They also introduce novel computational models behind various kinds of molecular computers necessary for designing such computers. The amoeba robot team aims at constructing amoeba-like robots. The team is trying to incorporate motor proteins, including kinesin and microtubules (MTs), for use as actuators implemented in a liposomal compartment as a robot body. They are also developing a methodology to link DNA-based computation and molecular motor control. The slime robot team focuses on the development of slime-like robots. The team is evaluating various gels, including DNA gel and BZ gel, for use as actuators, as well as the body material to disperse various molecular devices in it. They also try to control the gel actuators by DNA signals coming from molecular computers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dag, Serkan; Yildirim, Bora; Sabuncuoglu, Baris

The objective of this study is to develop crack growth analysis methods for functionally graded materials (FGMs) subjected to mode I cyclic loading. The study presents finite elements based computational procedures for both two and three dimensional problems to examine fatigue crack growth in functionally graded materials. Developed methods allow the computation of crack length and generation of crack front profile for a graded medium subjected to fluctuating stresses. The results presented for an elliptical crack embedded in a functionally graded medium, illustrate the competing effects of ellipse aspect ratio and material property gradation on the fatigue crack growth behavior.

A Computer Program for the Calculation of Three-Dimensional Transonic Nacelle/Inlet Flowfields

NASA Technical Reports Server (NTRS)

Vadyak, J.; Atta, E. H.

1983-01-01

A highly efficient computer analysis was developed for predicting transonic nacelle/inlet flowfields. This algorithm can compute the three dimensional transonic flowfield about axisymmetric (or asymmetric) nacelle/inlet configurations at zero or nonzero incidence. The flowfield is determined by solving the full-potential equation in conservative form on a body-fitted curvilinear computational mesh. The difference equations are solved using the AF2 approximate factorization scheme. This report presents a discussion of the computational methods used to both generate the body-fitted curvilinear mesh and to obtain the inviscid flow solution. Computed results and correlations with existing methods and experiment are presented. Also presented are discussions on the organization of the grid generation (NGRIDA) computer program and the flow solution (NACELLE) computer program, descriptions of the respective subroutines, definitions of the required input parameters for both algorithms, a brief discussion on interpretation of the output, and sample cases to illustrate application of the analysis.

Reverse time migration by Krylov subspace reduced order modeling

NASA Astrophysics Data System (ADS)

Basir, Hadi Mahdavi; Javaherian, Abdolrahim; Shomali, Zaher Hossein; Firouz-Abadi, Roohollah Dehghani; Gholamy, Shaban Ali

2018-04-01

Imaging is a key step in seismic data processing. To date, a myriad of advanced pre-stack depth migration approaches have been developed; however, reverse time migration (RTM) is still considered as the high-end imaging algorithm. The main limitations associated with the performance cost of reverse time migration are the intensive computation of the forward and backward simulations, time consumption, and memory allocation related to imaging condition. Based on the reduced order modeling, we proposed an algorithm, which can be adapted to all the aforementioned factors. Our proposed method benefit from Krylov subspaces method to compute certain mode shapes of the velocity model computed by as an orthogonal base of reduced order modeling. Reverse time migration by reduced order modeling is helpful concerning the highly parallel computation and strongly reduces the memory requirement of reverse time migration. The synthetic model results showed that suggested method can decrease the computational costs of reverse time migration by several orders of magnitudes, compared with reverse time migration by finite element method.

Brute force meets Bruno force in parameter optimisation: introduction of novel constraints for parameter accuracy improvement by symbolic computation.

PubMed

Nakatsui, M; Horimoto, K; Lemaire, F; Ürgüplü, A; Sedoglavic, A; Boulier, F

2011-09-01

Recent remarkable advances in computer performance have enabled us to estimate parameter values by the huge power of numerical computation, the so-called 'Brute force', resulting in the high-speed simultaneous estimation of a large number of parameter values. However, these advancements have not been fully utilised to improve the accuracy of parameter estimation. Here the authors review a novel method for parameter estimation using symbolic computation power, 'Bruno force', named after Bruno Buchberger, who found the Gröbner base. In the method, the objective functions combining the symbolic computation techniques are formulated. First, the authors utilise a symbolic computation technique, differential elimination, which symbolically reduces an equivalent system of differential equations to a system in a given model. Second, since its equivalent system is frequently composed of large equations, the system is further simplified by another symbolic computation. The performance of the authors' method for parameter accuracy improvement is illustrated by two representative models in biology, a simple cascade model and a negative feedback model in comparison with the previous numerical methods. Finally, the limits and extensions of the authors' method are discussed, in terms of the possible power of 'Bruno force' for the development of a new horizon in parameter estimation.

Federated Tensor Factorization for Computational Phenotyping

PubMed Central

Kim, Yejin; Sun, Jimeng; Yu, Hwanjo; Jiang, Xiaoqian

2017-01-01

Tensor factorization models offer an effective approach to convert massive electronic health records into meaningful clinical concepts (phenotypes) for data analysis. These models need a large amount of diverse samples to avoid population bias. An open challenge is how to derive phenotypes jointly across multiple hospitals, in which direct patient-level data sharing is not possible (e.g., due to institutional policies). In this paper, we developed a novel solution to enable federated tensor factorization for computational phenotyping without sharing patient-level data. We developed secure data harmonization and federated computation procedures based on alternating direction method of multipliers (ADMM). Using this method, the multiple hospitals iteratively update tensors and transfer secure summarized information to a central server, and the server aggregates the information to generate phenotypes. We demonstrated with real medical datasets that our method resembles the centralized training model (based on combined datasets) in terms of accuracy and phenotypes discovery while respecting privacy. PMID:29071165

Accurate de novo design of hyperstable constrained peptides

PubMed Central

Bhardwaj, Gaurav; Mulligan, Vikram Khipple; Bahl, Christopher D.; Gilmore, Jason M.; Harvey, Peta J.; Cheneval, Olivier; Buchko, Garry W.; Pulavarti, Surya V.S.R.K.; Kaas, Quentin; Eletsky, Alexander; Huang, Po-Ssu; Johnsen, William A.; Greisen, Per; Rocklin, Gabriel J.; Song, Yifan; Linsky, Thomas W.; Watkins, Andrew; Rettie, Stephen A.; Xu, Xianzhong; Carter, Lauren P.; Bonneau, Richard; Olson, James M.; Coutsias, Evangelos; Correnti, Colin E.; Szyperski, Thomas; Craik, David J.; Baker, David

2016-01-01

Summary Naturally occurring, pharmacologically active peptides constrained with covalent crosslinks generally have shapes evolved to fit precisely into binding pockets on their targets. Such peptides can have excellent pharmaceutical properties, combining the stability and tissue penetration of small molecule drugs with the specificity of much larger protein therapeutics. The ability to design constrained peptides with precisely specified tertiary structures would enable the design of shape-complementary inhibitors of arbitrary targets. Here we describe the development of computational methods for de novo design of conformationally-restricted peptides, and the use of these methods to design 15–50 residue disulfide-crosslinked and heterochiral N-C backbone-cyclized peptides. These peptides are exceptionally stable to thermal and chemical denaturation, and twelve experimentally-determined X-ray and NMR structures are nearly identical to the computational models. The computational design methods and stable scaffolds presented here provide the basis for development of a new generation of peptide-based drugs. PMID:27626386

Probabilistic structural mechanics research for parallel processing computers

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

1991-01-01

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Computational design and experimental validation of new thermal barrier systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Shengmin

2015-03-31

The focus of this project is on the development of a reliable and efficient ab initio based computational high temperature material design method which can be used to assist the Thermal Barrier Coating (TBC) bond-coat and top-coat design. Experimental evaluations on the new TBCs are conducted to confirm the new TBCs’ properties. Southern University is the subcontractor on this project with a focus on the computational simulation method development. We have performed ab initio density functional theory (DFT) method and molecular dynamics simulation on screening the top coats and bond coats for gas turbine thermal barrier coating design and validationmore » applications. For experimental validations, our focus is on the hot corrosion performance of different TBC systems. For example, for one of the top coatings studied, we examined the thermal stability of TaZr 2.75O 8 and confirmed it’s hot corrosion performance.« less

Development of programmable artificial neural networks

NASA Technical Reports Server (NTRS)

Meade, Andrew J.

1993-01-01

Conventionally programmed digital computers can process numbers with great speed and precision, but do not easily recognize patterns or imprecise or contradictory data. Instead of being programmed in the conventional sense, artificial neural networks are capable of self-learning through exposure to repeated examples. However, the training of an ANN can be a time consuming and unpredictable process. A general method is being developed to mate the adaptability of the ANN with the speed and precision of the digital computer. This method was successful in building feedforward networks that can approximate functions and their partial derivatives from examples in a single iteration. The general method also allows the formation of feedforward networks that can approximate the solution to nonlinear ordinary and partial differential equations to desired accuracy without the need of examples. It is believed that continued research will produce artificial neural networks that can be used with confidence in practical scientific computing and engineering applications.

A Lie-Theoretic Perspective on O(n) Mass Matrix Inversion for Serial Manipulators and Polypeptide Chains

PubMed Central

Lee, Kiju; Wang, Yunfeng; Chirikjian, Gregory S.

2010-01-01

Over the past several decades a number of O(n) methods for forward and inverse dynamics computations have been developed in the multi-body dynamics and robotics literature. A method was developed in 1974 by Fixman for O(n) computation of the mass-matrix determinant for a serial polymer chain consisting of point masses. In other recent papers, we extended this method in order to compute the inverse of the mass matrix for serial chains consisting of point masses. In the present paper, we extend these ideas further and address the case of serial chains composed of rigid-bodies. This requires the use of relatively deep mathematics associated with the rotation group, SO(3), and the special Euclidean group, SE(3), and specifically, it requires that one differentiates functions of Lie-group-valued argument. PMID:20165563

A class of parallel algorithms for computation of the manipulator inertia matrix

NASA Technical Reports Server (NTRS)

Fijany, Amir; Bejczy, Antal K.

1989-01-01

Parallel and parallel/pipeline algorithms for computation of the manipulator inertia matrix are presented. An algorithm based on composite rigid-body spatial inertia method, which provides better features for parallelization, is used for the computation of the inertia matrix. Two parallel algorithms are developed which achieve the time lower bound in computation. Also described is the mapping of these algorithms with topological variation on a two-dimensional processor array, with nearest-neighbor connection, and with cardinality variation on a linear processor array. An efficient parallel/pipeline algorithm for the linear array was also developed, but at significantly higher efficiency.

A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion

NASA Astrophysics Data System (ADS)

Lin, Y.; O'Malley, D.; Vesselinov, V. V.

2015-12-01

Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.

Computer-aided detection of renal calculi from noncontrast CT images using TV-flow and MSER features

PubMed Central

Liu, Jianfei; Wang, Shijun; Turkbey, Evrim B.; Linguraru, Marius George; Yao, Jianhua; Summers, Ronald M.

2015-01-01

Purpose: Renal calculi are common extracolonic incidental findings on computed tomographic colonography (CTC). This work aims to develop a fully automated computer-aided diagnosis system to accurately detect renal calculi on CTC images. Methods: The authors developed a total variation (TV) flow method to reduce image noise within the kidneys while maintaining the characteristic appearance of renal calculi. Maximally stable extremal region (MSER) features were then calculated to robustly identify calculi candidates. Finally, the authors computed texture and shape features that were imported to support vector machines for calculus classification. The method was validated on a dataset of 192 patients and compared to a baseline approach that detects calculi by thresholding. The authors also compared their method with the detection approaches using anisotropic diffusion and nonsmoothing. Results: At a false positive rate of 8 per patient, the sensitivities of the new method and the baseline thresholding approach were 69% and 35% (p < 1e − 3) on all calculi from 1 to 433 mm3 in the testing dataset. The sensitivities of the detection methods using anisotropic diffusion and nonsmoothing were 36% and 0%, respectively. The sensitivity of the new method increased to 90% if only larger and more clinically relevant calculi were considered. Conclusions: Experimental results demonstrated that TV-flow and MSER features are efficient means to robustly and accurately detect renal calculi on low-dose, high noise CTC images. Thus, the proposed method can potentially improve diagnosis. PMID:25563255

Numerical computation of solar neutrino flux attenuated by the MSW mechanism

NASA Astrophysics Data System (ADS)

Kim, Jai Sam; Chae, Yoon Sang; Kim, Jung Dae

1999-07-01

We compute the survival probability of an electron neutrino in its flight through the solar core experiencing the Mikheyev-Smirnov-Wolfenstein effect with all three neutrino species considered. We adopted a hybrid method that uses an accurate approximation formula in the non-resonance region and numerical integration in the non-adiabatic resonance region. The key of our algorithm is to use the importance sampling method for sampling the neutrino creation energy and position and to find the optimum radii to start and stop numerical integration. We further developed a parallel algorithm for a message passing parallel computer. By using an idea of job token, we have developed a dynamical load balancing mechanism which is effective under any irregular load distributions

A fast bottom-up algorithm for computing the cut sets of noncoherent fault trees

DOE Office of Scientific and Technical Information (OSTI.GOV)

Corynen, G.C.

1987-11-01

An efficient procedure for finding the cut sets of large fault trees has been developed. Designed to address coherent or noncoherent systems, dependent events, shared or common-cause events, the method - called SHORTCUT - is based on a fast algorithm for transforming a noncoherent tree into a quasi-coherent tree (COHERE), and on a new algorithm for reducing cut sets (SUBSET). To assure sufficient clarity and precision, the procedure is discussed in the language of simple sets, which is also developed in this report. Although the new method has not yet been fully implemented on the computer, we report theoretical worst-casemore » estimates of its computational complexity. 12 refs., 10 figs.« less

Monte Carlo Simulations and Generation of the SPI Response

NASA Technical Reports Server (NTRS)

Sturner, S. J.; Shrader, C. R.; Weidenspointner, G.; Teegarden, B. J.; Attie, D.; Diehl, R.; Ferguson, C.; Jean, P.; vonKienlin, A.

2003-01-01

In this paper we discuss the methods developed for the production of the INTEGRAL/SPI instrument response. The response files were produced using a suite of Monte Carlo simulation software developed at NASA/GSFC based on the GEANT-3 package available from CERN. The production of the INTEGRAL/SPI instrument response also required the development of a detailed computer mass model for SPI. We discuss our extensive investigations into methods to reduce both the computation time and storage requirements for the SPI response. We also discuss corrections to the simulated response based on our comparison of ground and inflight calibration data with MGEANT simulation.

Monte Carlo Simulations and Generation of the SPI Response

NASA Technical Reports Server (NTRS)

Sturner, S. J.; Shrader, C. R.; Weidenspointner, G.; Teegarden, B. J.; Attie, D.; Cordier, B.; Diehl, R.; Ferguson, C.; Jean, P.; vonKienlin, A.

2003-01-01

In this paper we discuss the methods developed for the production of the INTEGRAL/SPI instrument response. The response files were produced using a suite of Monte Carlo simulation software developed at NASA/GSFC based on the GEANT-3 package available from CERN. The production of the INTEGRAL/SPI instrument response also required the development of a detailed computer mass model for SPI. We discuss ow extensive investigations into methods to reduce both the computation time and storage requirements for the SPI response. We also discuss corrections to the simulated response based on our comparison of ground and infiight Calibration data with MGEANT simulations.

Framework for computationally-predicted AOPs

EPA Science Inventory

Framework for computationally-predicted AOPs Given that there are a vast number of existing and new chemicals in the commercial pipeline, emphasis is placed on developing high throughput screening (HTS) methods for hazard prediction. Adverse Outcome Pathways (AOPs) represent a...

Cloud Computing Techniques for Space Mission Design

NASA Technical Reports Server (NTRS)

Arrieta, Juan; Senent, Juan

2014-01-01

The overarching objective of space mission design is to tackle complex problems producing better results, and faster. In developing the methods and tools to fulfill this objective, the user interacts with the different layers of a computing system.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

DOE PAGES

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

Discussion on the Technology and Method of Computer Network Security Management

NASA Astrophysics Data System (ADS)

Zhou, Jianlei

2017-09-01

With the rapid development of information technology, the application of computer network technology has penetrated all aspects of society, changed people's way of life work to a certain extent, brought great convenience to people. But computer network technology is not a panacea, it can promote the function of social development, but also can cause damage to the community and the country. Due to computer network’ openness, easiness of sharing and other characteristics, it had a very negative impact on the computer network security, especially the loopholes in the technical aspects can cause damage on the network information. Based on this, this paper will do a brief analysis on the computer network security management problems and security measures.

A method of computer modelling the lithium-ion batteries aging process based on the experimental characteristics

NASA Astrophysics Data System (ADS)

Czerepicki, A.; Koniak, M.

2017-06-01

The paper presents a method of modelling the processes of aging lithium-ion batteries, its implementation as a computer application and results for battery state estimation. Authors use previously developed behavioural battery model, which was built using battery operating characteristics obtained from the experiment. This model was implemented in the form of a computer program using a database to store battery characteristics. Batteries aging process is a new extended functionality of the model. Algorithm of computer simulation uses a real measurements of battery capacity as a function of the battery charge and discharge cycles number. Simulation allows to take into account the incomplete cycles of charge or discharge battery, which are characteristic for transport powered by electricity. The developed model was used to simulate the battery state estimation for different load profiles, obtained by measuring the movement of the selected means of transport.

User's manual: Subsonic/supersonic advanced panel pilot code

NASA Technical Reports Server (NTRS)

Moran, J.; Tinoco, E. N.; Johnson, F. T.

1978-01-01

Sufficient instructions for running the subsonic/supersonic advanced panel pilot code were developed. This software was developed as a vehicle for numerical experimentation and it should not be construed to represent a finished production program. The pilot code is based on a higher order panel method using linearly varying source and quadratically varying doublet distributions for computing both linearized supersonic and subsonic flow over arbitrary wings and bodies. This user's manual contains complete input and output descriptions. A brief description of the method is given as well as practical instructions for proper configurations modeling. Computed results are also included to demonstrate some of the capabilities of the pilot code. The computer program is written in FORTRAN IV for the SCOPE 3.4.4 operations system of the Ames CDC 7600 computer. The program uses overlay structure and thirteen disk files, and it requires approximately 132000 (Octal) central memory words.

Mind the Gap! A Journey towards Computational Toxicology.

PubMed

Mangiatordi, Giuseppe Felice; Alberga, Domenico; Altomare, Cosimo Damiano; Carotti, Angelo; Catto, Marco; Cellamare, Saverio; Gadaleta, Domenico; Lattanzi, Gianluca; Leonetti, Francesco; Pisani, Leonardo; Stefanachi, Angela; Trisciuzzi, Daniela; Nicolotti, Orazio

2016-09-01

Computational methods have advanced toxicology towards the development of target-specific models based on a clear cause-effect rationale. However, the predictive potential of these models presents strengths and weaknesses. On the good side, in silico models are valuable cheap alternatives to in vitro and in vivo experiments. On the other, the unconscious use of in silico methods can mislead end-users with elusive results. The focus of this review is on the basic scientific and regulatory recommendations in the derivation and application of computational models. Attention is paid to examine the interplay between computational toxicology and drug discovery and development. Avoiding the easy temptation of an overoptimistic future, we report our view on what can, or cannot, realistically be done. Indeed, studies of safety/toxicity represent a key element of chemical prioritization programs carried out by chemical industries, and primarily by pharmaceutical companies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Research of Computer Aided Farm Machinery Designing Method Based on Ergonomics

NASA Astrophysics Data System (ADS)

Gao, Xiyin; Li, Xinling; Song, Qiang; Zheng, Ying

Along with agricultural economy development, the farm machinery product type Increases gradually, the ergonomics question is also getting more and more prominent. The widespread application of computer aided machinery design makes it possible that farm machinery design is intuitive, flexible and convenient. At present, because the developed computer aided ergonomics software has not suitable human body database, which is needed in view of farm machinery design in China, the farm machinery design have deviation in ergonomics analysis. This article puts forward that using the open database interface procedure in CATIA to establish human body database which aims at the farm machinery design, and reading the human body data to ergonomics module of CATIA can product practical application virtual body, using human posture analysis and human activity analysis module to analysis the ergonomics in farm machinery, thus computer aided farm machinery designing method based on engineering can be realized.

A method for three-dimensional modeling of wind-shear environments for flight simulator applications

NASA Technical Reports Server (NTRS)

Bray, R. S.

1984-01-01

A computational method for modeling severe wind shears of the type that have been documented during severe convective atmospheric conditions is offered for use in research and training flight simulation. The procedure was developed with the objectives of operational flexibility and minimum computer load. From one to five, simple down burst wind models can be configured and located to produce the wind field desired for specific simulated flight scenarios. A definition of related turbulence parameters is offered as an additional product of the computations. The use of the method to model several documented examples of severe wind shear is demonstrated.

Multiphase Fluid Dynamics for Spacecraft Applications

NASA Astrophysics Data System (ADS)

Shyy, W.; Sim, J.

2011-09-01

Multiphase flows involving moving interfaces between different fluids/phases are observed in nature as well as in a wide range of engineering applications. With the recent development of high fidelity computational techniques, a number of challenging multiphase flow problems can now be computed. We introduce the basic notion of the main categories of multiphase flow computation; Lagrangian, Eulerian, and Eulerian-Lagrangian techniques to represent and follow interface, and sharp and continuous interface methods to model interfacial dynamics. The marker-based adaptive Eulerian-Lagrangian method, which is one of the most popular methods, is highlighted with microgravity and space applications including droplet collision and spacecraft liquid fuel tank surface stability.

[Axial computer tomography of the neurocranium (author's transl)].

PubMed

Stöppler, L

1977-05-27

Computer tomography (CT), a new radiographic examination technique, is very highly efficient, for it has high informative content with little stress for the patient. In contrast to the conventional X-ray technology, CT succeeds, by direct presentation of the structure of the soft parts, in obtaining information which comes close to that of macroscopic neuropathology. The capacity and limitations of the method at the present stage of development are reported. Computer tomography cannot displace conventional neuroradiological methods of investigation, although it is rightly presented as a screening method and helps towards selective use. Indications, technical integration and handling of CT are prerequisites for the exhaustive benefit of the excellent new technique.

The Helicopter Antenna Radiation Prediction Code (HARP)

NASA Technical Reports Server (NTRS)

Klevenow, F. T.; Lynch, B. G.; Newman, E. H.; Rojas, R. G.; Scheick, J. T.; Shamansky, H. T.; Sze, K. Y.

1990-01-01

The first nine months effort in the development of a user oriented computer code, referred to as the HARP code, for analyzing the radiation from helicopter antennas is described. The HARP code uses modern computer graphics to aid in the description and display of the helicopter geometry. At low frequencies the helicopter is modeled by polygonal plates, and the method of moments is used to compute the desired patterns. At high frequencies the helicopter is modeled by a composite ellipsoid and flat plates, and computations are made using the geometrical theory of diffraction. The HARP code will provide a user friendly interface, employing modern computer graphics, to aid the user to describe the helicopter geometry, select the method of computation, construct the desired high or low frequency model, and display the results.

A parallel finite element procedure for contact-impact problems using edge-based smooth triangular element and GPU

NASA Astrophysics Data System (ADS)

Cai, Yong; Cui, Xiangyang; Li, Guangyao; Liu, Wenyang

2018-04-01

The edge-smooth finite element method (ES-FEM) can improve the computational accuracy of triangular shell elements and the mesh partition efficiency of complex models. In this paper, an approach is developed to perform explicit finite element simulations of contact-impact problems with a graphical processing unit (GPU) using a special edge-smooth triangular shell element based on ES-FEM. Of critical importance for this problem is achieving finer-grained parallelism to enable efficient data loading and to minimize communication between the device and host. Four kinds of parallel strategies are then developed to efficiently solve these ES-FEM based shell element formulas, and various optimization methods are adopted to ensure aligned memory access. Special focus is dedicated to developing an approach for the parallel construction of edge systems. A parallel hierarchy-territory contact-searching algorithm (HITA) and a parallel penalty function calculation method are embedded in this parallel explicit algorithm. Finally, the program flow is well designed, and a GPU-based simulation system is developed, using Nvidia's CUDA. Several numerical examples are presented to illustrate the high quality of the results obtained with the proposed methods. In addition, the GPU-based parallel computation is shown to significantly reduce the computing time.

Computational fluid mechanics utilizing the variational principle of modeling damping seals

NASA Technical Reports Server (NTRS)

Abernathy, J. M.

1986-01-01

A computational fluid dynamics code for application to traditional incompressible flow problems has been developed. The method is actually a slight compressibility approach which takes advantage of the bulk modulus and finite sound speed of all real fluids. The finite element numerical analog uses a dynamic differencing scheme based, in part, on a variational principle for computational fluid dynamics. The code was developed in order to study the feasibility of damping seals for high speed turbomachinery. Preliminary seal analyses have been performed.

The study of early human embryos using interactive 3-dimensional computer reconstructions.

PubMed

Scarborough, J; Aiton, J F; McLachlan, J C; Smart, S D; Whiten, S C

1997-07-01

Tracings of serial histological sections from 4 human embryos at different Carnegie stages were used to create 3-dimensional (3D) computer models of the developing heart. The models were constructed using commercially available software developed for graphic design and the production of computer generated virtual reality environments. They are available as interactive objects which can be downloaded via the World Wide Web. This simple method of 3D reconstruction offers significant advantages for understanding important events in morphological sciences.

Human sense utilization method on real-time computer graphics

NASA Astrophysics Data System (ADS)

Maehara, Hideaki; Ohgashi, Hitoshi; Hirata, Takao

1997-06-01

We are developing an adjustment method of real-time computer graphics, to obtain effective ones which give audience various senses intended by producer, utilizing human sensibility technologically. Generally, production of real-time computer graphics needs much adjustment of various parameters, such as 3D object models/their motions/attributes/view angle/parallax etc., in order that the graphics gives audience superior effects as reality of materials, sense of experience and so on. And it is also known it costs much to adjust such various parameters by trial and error. A graphics producer often evaluates his graphics to improve it. For example, it may lack 'sense of speed' or be necessary to be given more 'sense of settle down,' to improve it. On the other hand, we can know how the parameters in computer graphics affect such senses by means of statistically analyzing several samples of computer graphics which provide different senses. We paid attention to these two facts, so that we designed an adjustment method of the parameters by inputting phases of sense into a computer. By the way of using this method, it becomes possible to adjust real-time computer graphics more effectively than by conventional way of trial and error.

Computation of Nonlinear Hydrodynamic Loads on Floating Wind Turbines Using Fluid-Impulse Theory: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kok Yan Chan, G.; Sclavounos, P. D.; Jonkman, J.

2015-04-02

A hydrodynamics computer module was developed for the evaluation of the linear and nonlinear loads on floating wind turbines using a new fluid-impulse formulation for coupling with the FAST program. The recently developed formulation allows the computation of linear and nonlinear loads on floating bodies in the time domain and avoids the computationally intensive evaluation of temporal and nonlinear free-surface problems and efficient methods are derived for its computation. The body instantaneous wetted surface is approximated by a panel mesh and the discretization of the free surface is circumvented by using the Green function. The evaluation of the nonlinear loadsmore » is based on explicit expressions derived by the fluid-impulse theory, which can be computed efficiently. Computations are presented of the linear and nonlinear loads on the MIT/NREL tension-leg platform. Comparisons were carried out with frequency-domain linear and second-order methods. Emphasis was placed on modeling accuracy of the magnitude of nonlinear low- and high-frequency wave loads in a sea state. Although fluid-impulse theory is applied to floating wind turbines in this paper, the theory is applicable to other offshore platforms as well.« less

Modeling Trait Anxiety: From Computational Processes to Personality

PubMed Central

Raymond, James G.; Steele, J. Douglas; Seriès, Peggy

2017-01-01

Computational methods are increasingly being applied to the study of psychiatric disorders. Often, this involves fitting models to the behavior of individuals with subclinical character traits that are known vulnerability factors for the development of psychiatric conditions. Anxiety disorders can be examined with reference to the behavior of individuals high in “trait” anxiety, which is a known vulnerability factor for the development of anxiety and mood disorders. However, it is not clear how this self-report measure relates to neural and behavioral processes captured by computational models. This paper reviews emerging computational approaches to the study of trait anxiety, specifying how interacting processes susceptible to analysis using computational models could drive a tendency to experience frequent anxious states and promote vulnerability to the development of clinical disorders. Existing computational studies are described in the light of this perspective and appropriate targets for future studies are discussed. PMID:28167920

Modeling Trait Anxiety: From Computational Processes to Personality.

PubMed

Raymond, James G; Steele, J Douglas; Seriès, Peggy

2017-01-01

Computational methods are increasingly being applied to the study of psychiatric disorders. Often, this involves fitting models to the behavior of individuals with subclinical character traits that are known vulnerability factors for the development of psychiatric conditions. Anxiety disorders can be examined with reference to the behavior of individuals high in "trait" anxiety, which is a known vulnerability factor for the development of anxiety and mood disorders. However, it is not clear how this self-report measure relates to neural and behavioral processes captured by computational models. This paper reviews emerging computational approaches to the study of trait anxiety, specifying how interacting processes susceptible to analysis using computational models could drive a tendency to experience frequent anxious states and promote vulnerability to the development of clinical disorders. Existing computational studies are described in the light of this perspective and appropriate targets for future studies are discussed.

Prediction of the Thermal Conductivity of Refrigerants by Computational Methods and Artificial Neural Network.

PubMed

Ghaderi, Forouzan; Ghaderi, Amir H; Ghaderi, Noushin; Najafi, Bijan

2017-01-01

Background: The thermal conductivity of fluids can be calculated by several computational methods. However, these methods are reliable only at the confined levels of density, and there is no specific computational method for calculating thermal conductivity in the wide ranges of density. Methods: In this paper, two methods, an Artificial Neural Network (ANN) approach and a computational method established upon the Rainwater-Friend theory, were used to predict the value of thermal conductivity in all ranges of density. The thermal conductivity of six refrigerants, R12, R14, R32, R115, R143, and R152 was predicted by these methods and the effectiveness of models was specified and compared. Results: The results show that the computational method is a usable method for predicting thermal conductivity at low levels of density. However, the efficiency of this model is considerably reduced in the mid-range of density. It means that this model cannot be used at density levels which are higher than 6. On the other hand, the ANN approach is a reliable method for thermal conductivity prediction in all ranges of density. The best accuracy of ANN is achieved when the number of units is increased in the hidden layer. Conclusion: The results of the computational method indicate that the regular dependence between thermal conductivity and density at higher densities is eliminated. It can develop a nonlinear problem. Therefore, analytical approaches are not able to predict thermal conductivity in wide ranges of density. Instead, a nonlinear approach such as, ANN is a valuable method for this purpose.

Prediction of the Thermal Conductivity of Refrigerants by Computational Methods and Artificial Neural Network

PubMed Central

Ghaderi, Forouzan; Ghaderi, Amir H.; Ghaderi, Noushin; Najafi, Bijan

2017-01-01

Background: The thermal conductivity of fluids can be calculated by several computational methods. However, these methods are reliable only at the confined levels of density, and there is no specific computational method for calculating thermal conductivity in the wide ranges of density. Methods: In this paper, two methods, an Artificial Neural Network (ANN) approach and a computational method established upon the Rainwater-Friend theory, were used to predict the value of thermal conductivity in all ranges of density. The thermal conductivity of six refrigerants, R12, R14, R32, R115, R143, and R152 was predicted by these methods and the effectiveness of models was specified and compared. Results: The results show that the computational method is a usable method for predicting thermal conductivity at low levels of density. However, the efficiency of this model is considerably reduced in the mid-range of density. It means that this model cannot be used at density levels which are higher than 6. On the other hand, the ANN approach is a reliable method for thermal conductivity prediction in all ranges of density. The best accuracy of ANN is achieved when the number of units is increased in the hidden layer. Conclusion: The results of the computational method indicate that the regular dependence between thermal conductivity and density at higher densities is eliminated. It can develop a nonlinear problem. Therefore, analytical approaches are not able to predict thermal conductivity in wide ranges of density. Instead, a nonlinear approach such as, ANN is a valuable method for this purpose. PMID:29188217

A Validation Summary of the NCC Turbulent Reacting/non-reacting Spray Computations

NASA Technical Reports Server (NTRS)

Raju, M. S.; Liu, N.-S. (Technical Monitor)

2000-01-01

This pper provides a validation summary of the spray computations performed as a part of the NCC (National Combustion Code) development activity. NCC is being developed with the aim of advancing the current prediction tools used in the design of advanced technology combustors based on the multidimensional computational methods. The solution procedure combines the novelty of the application of the scalar Monte Carlo PDF (Probability Density Function) method to the modeling of turbulent spray flames with the ability to perform the computations on unstructured grids with parallel computing. The calculation procedure was applied to predict the flow properties of three different spray cases. One is a nonswirling unconfined reacting spray, the second is a nonswirling unconfined nonreacting spray, and the third is a confined swirl-stabilized spray flame. The comparisons involving both gas-phase and droplet velocities, droplet size distributions, and gas-phase temperatures show reasonable agreement with the available experimental data. The comparisons involve both the results obtained from the use of the Monte Carlo PDF method as well as those obtained from the conventional computational fluid dynamics (CFD) solution. Detailed comparisons in the case of a reacting nonswirling spray clearly highlight the importance of chemistry/turbulence interactions in the modeling of reacting sprays. The results from the PDF and non-PDF methods were found to be markedly different and the PDF solution is closer to the reported experimental data. The PDF computations predict that most of the combustion occurs in a predominantly diffusion-flame environment. However, the non-PDF solution predicts incorrectly that the combustion occurs in a predominantly vaporization-controlled regime. The Monte Carlo temperature distribution shows that the functional form of the PDF for the temperature fluctuations varies substantially from point to point. The results also bring to the fore some of the deficiencies associated with the use of assumed-shape PDF methods in spray computations.

Multidisciplinary Design Optimization (MDO) Methods: Their Synergy with Computer Technology in Design Process

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, Jaroslaw

1998-01-01

The paper identifies speed, agility, human interface, generation of sensitivity information, task decomposition, and data transmission (including storage) as important attributes for a computer environment to have in order to support engineering design effectively. It is argued that when examined in terms of these attributes the presently available environment can be shown to be inadequate a radical improvement is needed, and it may be achieved by combining new methods that have recently emerged from multidisciplinary design optimization (MDO) with massively parallel processing computer technology. The caveat is that, for successful use of that technology in engineering computing, new paradigms for computing will have to be developed - specifically, innovative algorithms that are intrinsically parallel so that their performance scales up linearly with the number of processors. It may be speculated that the idea of simulating a complex behavior by interaction of a large number of very simple models may be an inspiration for the above algorithms, the cellular automata are an example. Because of the long lead time needed to develop and mature new paradigms, development should be now, even though the widespread availability of massively parallel processing is still a few years away.

Multidisciplinary Design Optimisation (MDO) Methods: Their Synergy with Computer Technology in the Design Process

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, Jaroslaw

1999-01-01

The paper identifies speed, agility, human interface, generation of sensitivity information, task decomposition, and data transmission (including storage) as important attributes for a computer environment to have in order to support engineering design effectively. It is argued that when examined in terms of these attributes the presently available environment can be shown to be inadequate. A radical improvement is needed, and it may be achieved by combining new methods that have recently emerged from multidisciplinary design optimisation (MDO) with massively parallel processing computer technology. The caveat is that, for successful use of that technology in engineering computing, new paradigms for computing will have to be developed - specifically, innovative algorithms that are intrinsically parallel so that their performance scales up linearly with the number of processors. It may be speculated that the idea of simulating a complex behaviour by interaction of a large number of very simple models may be an inspiration for the above algorithms; the cellular automata are an example. Because of the long lead time needed to develop and mature new paradigms, development should begin now, even though the widespread availability of massively parallel processing is still a few years away.

Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review

PubMed Central

Ngoepe, Malebogo N.; Frangi, Alejandro F.; Byrne, James V.; Ventikos, Yiannis

2018-01-01

Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities. PMID:29670533

Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review.

PubMed

Ngoepe, Malebogo N; Frangi, Alejandro F; Byrne, James V; Ventikos, Yiannis

2018-01-01

Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities.

Quantum simulator review

NASA Astrophysics Data System (ADS)

Bednar, Earl; Drager, Steven L.

2007-04-01

Quantum information processing's objective is to utilize revolutionary computing capability based on harnessing the paradigm shift offered by quantum computing to solve classically hard and computationally challenging problems. Some of our computationally challenging problems of interest include: the capability for rapid image processing, rapid optimization of logistics, protecting information, secure distributed simulation, and massively parallel computation. Currently, one important problem with quantum information processing is that the implementation of quantum computers is difficult to realize due to poor scalability and great presence of errors. Therefore, we have supported the development of Quantum eXpress and QuIDD Pro, two quantum computer simulators running on classical computers for the development and testing of new quantum algorithms and processes. This paper examines the different methods used by these two quantum computing simulators. It reviews both simulators, highlighting each simulators background, interface, and special features. It also demonstrates the implementation of current quantum algorithms on each simulator. It concludes with summary comments on both simulators.

An exact computational method for performance analysis of sequential test algorithms for detecting network intrusions

NASA Astrophysics Data System (ADS)

Chen, Xinjia; Lacy, Fred; Carriere, Patrick

2015-05-01

Sequential test algorithms are playing increasingly important roles for quick detecting network intrusions such as portscanners. In view of the fact that such algorithms are usually analyzed based on intuitive approximation or asymptotic analysis, we develop an exact computational method for the performance analysis of such algorithms. Our method can be used to calculate the probability of false alarm and average detection time up to arbitrarily pre-specified accuracy.

Parallel solution of the symmetric tridiagonal eigenproblem. Research report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jessup, E.R.

1989-10-01

This thesis discusses methods for computing all eigenvalues and eigenvectors of a symmetric tridiagonal matrix on a distributed-memory Multiple Instruction, Multiple Data multiprocessor. Only those techniques having the potential for both high numerical accuracy and significant large-grained parallelism are investigated. These include the QL method or Cuppen's divide and conquer method based on rank-one updating to compute both eigenvalues and eigenvectors, bisection to determine eigenvalues and inverse iteration to compute eigenvectors. To begin, the methods are compared with respect to computation time, communication time, parallel speed up, and accuracy. Experiments on an IPSC hypercube multiprocessor reveal that Cuppen's method ismore » the most accurate approach, but bisection with inverse iteration is the fastest and most parallel. Because the accuracy of the latter combination is determined by the quality of the computed eigenvectors, the factors influencing the accuracy of inverse iteration are examined. This includes, in part, statistical analysis of the effect of a starting vector with random components. These results are used to develop an implementation of inverse iteration producing eigenvectors with lower residual error and better orthogonality than those generated by the EISPACK routine TINVIT. This thesis concludes with adaptions of methods for the symmetric tridiagonal eigenproblem to the related problem of computing the singular value decomposition (SVD) of a bidiagonal matrix.« less

Parallel solution of the symmetric tridiagonal eigenproblem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jessup, E.R.

1989-01-01

This thesis discusses methods for computing all eigenvalues and eigenvectors of a symmetric tridiagonal matrix on a distributed memory MIMD multiprocessor. Only those techniques having the potential for both high numerical accuracy and significant large-grained parallelism are investigated. These include the QL method or Cuppen's divide and conquer method based on rank-one updating to compute both eigenvalues and eigenvectors, bisection to determine eigenvalues, and inverse iteration to compute eigenvectors. To begin, the methods are compared with respect to computation time, communication time, parallel speedup, and accuracy. Experiments on an iPSC hyper-cube multiprocessor reveal that Cuppen's method is the most accuratemore » approach, but bisection with inverse iteration is the fastest and most parallel. Because the accuracy of the latter combination is determined by the quality of the computed eigenvectors, the factors influencing the accuracy of inverse iteration are examined. This includes, in part, statistical analysis of the effects of a starting vector with random components. These results are used to develop an implementation of inverse iteration producing eigenvectors with lower residual error and better orthogonality than those generated by the EISPACK routine TINVIT. This thesis concludes with adaptations of methods for the symmetric tridiagonal eigenproblem to the related problem of computing the singular value decomposition (SVD) of a bidiagonal matrix.« less

A Decentralized Eigenvalue Computation Method for Spectrum Sensing Based on Average Consensus

NASA Astrophysics Data System (ADS)

Mohammadi, Jafar; Limmer, Steffen; Stańczak, Sławomir

2016-07-01

This paper considers eigenvalue estimation for the decentralized inference problem for spectrum sensing. We propose a decentralized eigenvalue computation algorithm based on the power method, which is referred to as generalized power method GPM; it is capable of estimating the eigenvalues of a given covariance matrix under certain conditions. Furthermore, we have developed a decentralized implementation of GPM by splitting the iterative operations into local and global computation tasks. The global tasks require data exchange to be performed among the nodes. For this task, we apply an average consensus algorithm to efficiently perform the global computations. As a special case, we consider a structured graph that is a tree with clusters of nodes at its leaves. For an accelerated distributed implementation, we propose to use computation over multiple access channel (CoMAC) as a building block of the algorithm. Numerical simulations are provided to illustrate the performance of the two algorithms.

Combined magnetic vector-scalar potential finite element computation of 3D magnetic field and performance of modified Lundell alternators in Space Station applications. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Wang, Ren H.

1991-01-01

A method of combined use of magnetic vector potential (MVP) based finite element (FE) formulations and magnetic scalar potential (MSP) based FE formulations for computation of three-dimensional (3D) magnetostatic fields is developed. This combined MVP-MSP 3D-FE method leads to considerable reduction by nearly a factor of 3 in the number of unknowns in comparison to the number of unknowns which must be computed in global MVP based FE solutions. This method allows one to incorporate portions of iron cores sandwiched in between coils (conductors) in current-carrying regions. Thus, it greatly simplifies the geometries of current carrying regions (in comparison with the exclusive MSP based methods) in electric machinery applications. A unique feature of this approach is that the global MSP solution is single valued in nature, that is, no branch cut is needed. This is again a superiority over the exclusive MSP based methods. A Newton-Raphson procedure with a concept of an adaptive relaxation factor was developed and successfully used in solving the 3D-FE problem with magnetic material anisotropy and nonlinearity. Accordingly, this combined MVP-MSP 3D-FE method is most suited for solution of large scale global type magnetic field computations in rotating electric machinery with very complex magnetic circuit geometries, as well as nonlinear and anisotropic material properties.

Three-dimensional Diffusive Strip Method

NASA Astrophysics Data System (ADS)

Martinez-Ruiz, Daniel; Meunier, Patrice; Duchemin, Laurent; Villermaux, Emmanuel

2016-11-01

The Diffusive Strip Method (DSM) is a near-exact numerical method developed for mixing computations at large Péclet number in two-dimensions. The method consists in following stretched material lines to compute a-posteriori the resulting scalar field is extended here to three-dimensional flows, following surfaces. We describe its 3D peculiarities, and show how it applies to a simple Taylor-Couette configuration with non-rotating boundary conditions at the top end, bottom and outer cylinder. This flow produces an elaborate, although controlled, steady 3D flow which relies on the Ekman pumping arising from the rotation of the inner cylinder is both studied experimentally, and numerically modeled. A recurrent two-cells structure appears formed by stream tubes shaped as nested tori. A scalar blob in the flow experiences a Lagrangian oscillating dynamics with stretchings and compressions, driving the mixing process, and yielding both rapidly-mixed and nearly pure-diffusive regions. A triangulated-surface method is developed to calculate the blob elongation and scalar concentration PDFs through a single variable computation along the advected blob surface, capturing the rich evolution observed in the experiments.

A space radiation transport method development

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Tripathi, R. K.; Qualls, G. D.; Cucinotta, F. A.; Prael, R. E.; Norbury, J. W.; Heinbockel, J. H.; Tweed, J.

2004-01-01

Improved spacecraft shield design requires early entry of radiation constraints into the design process to maximize performance and minimize costs. As a result, we have been investigating high-speed computational procedures to allow shield analysis from the preliminary design concepts to the final design. In particular, we will discuss the progress towards a full three-dimensional and computationally efficient deterministic code for which the current HZETRN evaluates the lowest-order asymptotic term. HZETRN is the first deterministic solution to the Boltzmann equation allowing field mapping within the International Space Station (ISS) in tens of minutes using standard finite element method (FEM) geometry common to engineering design practice enabling development of integrated multidisciplinary design optimization methods. A single ray trace in ISS FEM geometry requires 14 ms and severely limits application of Monte Carlo methods to such engineering models. A potential means of improving the Monte Carlo efficiency in coupling to spacecraft geometry is given in terms of re-configurable computing and could be utilized in the final design as verification of the deterministic method optimized design. Published by Elsevier Ltd on behalf of COSPAR.

Algorithms and software used in selecting structure of machine-training cluster based on neurocomputers

NASA Astrophysics Data System (ADS)

Romanchuk, V. A.; Lukashenko, V. V.

2018-05-01

The technique of functioning of a control system by a computing cluster based on neurocomputers is proposed. Particular attention is paid to the method of choosing the structure of the computing cluster due to the fact that the existing methods are not effective because of a specialized hardware base - neurocomputers, which are highly parallel computer devices with an architecture different from the von Neumann architecture. A developed algorithm for choosing the computational structure of a cloud cluster is described, starting from the direction of data transfer in the flow control graph of the program and its adjacency matrix.

Cumulative reports and publications through December 31, 1989

NASA Technical Reports Server (NTRS)

1990-01-01

A complete list of reports from the Institute for Computer Applications in Science and Engineering (ICASE) is presented. The major categories of the current ICASE research program are: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effectual numerical methods; computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, structural analysis, and chemistry; computer systems and software, especially vector and parallel computers, microcomputers, and data management. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when it is available.

Ada Compiler Validation Summary Report: Certificate Number: 900121S1. 10251 Computer Sciences Corporation MC Ada V1.2.Beta/Concurrent Computer Corporation Concurrent/Masscomp 5600 Host To Concurrent/Masscomp 5600 (Dual 68020 Processor Configuration) Target

DTIC Science & Technology

1990-04-23

developed Ada Real - Time Operating System (ARTOS) for bare machine environments(Target), ACW 1.1I0. " ; - -M.UIECTTERMS Ada programming language, Ada...configuration) Operating System: CSC developed Ada Real - Time Operating System (ARTOS) for bare machine environments Memory Size: 4MB 2.2...Test Method Testing of the MC Ado V1.2.beta/ Concurrent Computer Corporation compiler and the CSC developed Ada Real - Time Operating System (ARTOS) for

Recent developments of the NESSUS probabilistic structural analysis computer program

NASA Technical Reports Server (NTRS)

Millwater, H.; Wu, Y.-T.; Torng, T.; Thacker, B.; Riha, D.; Leung, C. P.

1992-01-01

The NESSUS probabilistic structural analysis computer program combines state-of-the-art probabilistic algorithms with general purpose structural analysis methods to compute the probabilistic response and the reliability of engineering structures. Uncertainty in loading, material properties, geometry, boundary conditions and initial conditions can be simulated. The structural analysis methods include nonlinear finite element and boundary element methods. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. The scope of the code has recently been expanded to include probabilistic life and fatigue prediction of structures in terms of component and system reliability and risk analysis of structures considering cost of failure. The code is currently being extended to structural reliability considering progressive crack propagation. Several examples are presented to demonstrate the new capabilities.

Computing in Hydraulic Engineering Education

NASA Astrophysics Data System (ADS)

Duan, J. G.

2011-12-01

Civil engineers, pioneers of our civilization, are rarely perceived as leaders and innovators in modern society because of retardations in technology innovation. This crisis has resulted in the decline of the prestige of civil engineering profession, reduction of federal funding on deteriorating infrastructures, and problems with attracting the most talented high-school students. Infusion of cutting-edge computer technology and stimulating creativity and innovation therefore are the critical challenge to civil engineering education. To better prepare our graduates to innovate, this paper discussed the adaption of problem-based collaborative learning technique and integration of civil engineering computing into a traditional civil engineering curriculum. Three interconnected courses: Open Channel Flow, Computational Hydraulics, and Sedimentation Engineering, were developed with emphasis on computational simulations. In Open Channel flow, the focuses are principles of free surface flow and the application of computational models. This prepares students to the 2nd course, Computational Hydraulics, that introduce the fundamental principles of computational hydraulics, including finite difference and finite element methods. This course complements the Open Channel Flow class to provide students with in-depth understandings of computational methods. The 3rd course, Sedimentation Engineering, covers the fundamentals of sediment transport and river engineering, so students can apply the knowledge and programming skills gained from previous courses to develop computational models for simulating sediment transport. These courses effectively equipped students with important skills and knowledge to complete thesis and dissertation research.

Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations

NASA Astrophysics Data System (ADS)

Iwase, Shigeru; Futamura, Yasunori; Imakura, Akira; Sakurai, Tetsuya; Tsukamoto, Shigeru; Ono, Tomoya

2018-05-01

We propose an efficient computational method for evaluating the self-energy matrices of electrodes to study ballistic electron transport properties in nanoscale systems. To reduce the high computational cost incurred in large systems, a contour integral eigensolver based on the Sakurai-Sugiura method combined with the shifted biconjugate gradient method is developed to solve an exponential-type eigenvalue problem for complex wave vectors. A remarkable feature of the proposed algorithm is that the numerical procedure is very similar to that of conventional band structure calculations. We implement the developed method in the framework of the real-space higher-order finite-difference scheme with nonlocal pseudopotentials. Numerical tests for a wide variety of materials validate the robustness, accuracy, and efficiency of the proposed method. As an illustration of the method, we present the electron transport property of the freestanding silicene with the line defect originating from the reversed buckled phases.

An immersed boundary method for modeling a dirty geometry data

NASA Astrophysics Data System (ADS)

Onishi, Keiji; Tsubokura, Makoto

2017-11-01

We present a robust, fast, and low preparation cost immersed boundary method (IBM) for simulating an incompressible high Re flow around highly complex geometries. The method is achieved by the dispersion of the momentum by the axial linear projection and the approximate domain assumption satisfying the mass conservation around the wall including cells. This methodology has been verified against an analytical theory and wind tunnel experiment data. Next, we simulate the problem of flow around a rotating object and demonstrate the ability of this methodology to the moving geometry problem. This methodology provides the possibility as a method for obtaining a quick solution at a next large scale supercomputer. This research was supported by MEXT as ``Priority Issue on Post-K computer'' (Development of innovative design and production processes) and used computational resources of the K computer provided by the RIKEN Advanced Institute for Computational Science.

An efficient method for hybrid density functional calculation with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Wang, Maoyuan; Liu, Gui-Bin; Guo, Hong; Yao, Yugui

2018-03-01

In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When spin-orbit coupling (SOC) is taken into account, the non-collinear spin structure increases computing effort by at least eight times. As a result, hybrid functional calculations with SOC are intractable in most cases. In this paper, we present an approximate solution to this problem by developing an efficient method based on a mixed linear combination of atomic orbital (LCAO) scheme. We demonstrate the power of this method using several examples and we show that the results compare very well with those of direct hybrid functional calculations with SOC, yet the method only requires a computing effort similar to that without SOC. The presented technique provides a good balance between computing efficiency and accuracy, and it can be extended to magnetic materials.

Computer Aided Drug Design: Success and Limitations.

PubMed

Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho

2016-01-01

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 2: User guide

NASA Technical Reports Server (NTRS)

Chen, H. C.; Neback, H. E.; Kao, T. J.; Yu, N. Y.; Kusunose, K.

1991-01-01

This manual explains how to use an Euler based computational method for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. The propeller power effects are simulated by the actuator disk concept. This method consists of global flow field analysis and the embedded flow solution for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine. The computational procedure includes the use of several computer programs performing four main functions: grid generation, Euler solution, grid embedding, and streamline tracing. This user's guide provides information for these programs, including input data preparations with sample input decks, output descriptions, and sample Unix scripts for program execution in the UNICOS environment.

Extended precision data types for the development of the original computer aided engineering applications

NASA Astrophysics Data System (ADS)

Pescaru, A.; Oanta, E.; Axinte, T.; Dascalescu, A.-D.

2015-11-01

Computer aided engineering is based on models of the phenomena which are expressed as algorithms. The implementations of the algorithms are usually software applications which are processing a large volume of numerical data, regardless the size of the input data. In this way, the finite element method applications used to have an input data generator which was creating the entire volume of geometrical data, starting from the initial geometrical information and the parameters stored in the input data file. Moreover, there were several data processing stages, such as: renumbering of the nodes meant to minimize the size of the band length of the system of equations to be solved, computation of the equivalent nodal forces, computation of the element stiffness matrix, assemblation of system of equations, solving the system of equations, computation of the secondary variables. The modern software application use pre-processing and post-processing programs to easily handle the information. Beside this example, CAE applications use various stages of complex computation, being very interesting the accuracy of the final results. Along time, the development of CAE applications was a constant concern of the authors and the accuracy of the results was a very important target. The paper presents the various computing techniques which were imagined and implemented in the resulting applications: finite element method programs, finite difference element method programs, applied general numerical methods applications, data generators, graphical applications, experimental data reduction programs. In this context, the use of the extended precision data types was one of the solutions, the limitations being imposed by the size of the memory which may be allocated. To avoid the memory-related problems the data was stored in files. To minimize the execution time, part of the file was accessed using the dynamic memory allocation facilities. One of the most important consequences of the paper is the design of a library which includes the optimized solutions previously tested, that may be used for the easily development of original CAE cross-platform applications. Last but not least, beside the generality of the data type solutions, there is targeted the development of a software library which may be used for the easily development of node-based CAE applications, each node having several known or unknown parameters, the system of equations being automatically generated and solved.

Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic Ejector/Mixer Nozzle Flows

NASA Technical Reports Server (NTRS)

DeChant, Lawrence Justin

1998-01-01

In spite of rapid advances in both scalar and parallel computational tools, the large number of variables involved in both design and inverse problems make the use of sophisticated fluid flow models impractical, With this restriction, it is concluded that an important family of methods for mathematical/computational development are reduced or approximate fluid flow models. In this study a combined perturbation/numerical modeling methodology is developed which provides a rigorously derived family of solutions. The mathematical model is computationally more efficient than classical boundary layer but provides important two-dimensional information not available using quasi-1-d approaches. An additional strength of the current methodology is its ability to locally predict static pressure fields in a manner analogous to more sophisticated parabolized Navier Stokes (PNS) formulations. To resolve singular behavior, the model utilizes classical analytical solution techniques. Hence, analytical methods have been combined with efficient numerical methods to yield an efficient hybrid fluid flow model. In particular, the main objective of this research has been to develop a system of analytical and numerical ejector/mixer nozzle models, which require minimal empirical input. A computer code, DREA Differential Reduced Ejector/mixer Analysis has been developed with the ability to run sufficiently fast so that it may be used either as a subroutine or called by an design optimization routine. Models are of direct use to the High Speed Civil Transport Program (a joint government/industry project seeking to develop an economically.viable U.S. commercial supersonic transport vehicle) and are currently being adopted by both NASA and industry. Experimental validation of these models is provided by comparison to results obtained from open literature and Limited Exclusive Right Distribution (LERD) sources, as well as dedicated experiments performed at Texas A&M. These experiments have been performed using a hydraulic/gas flow analog. Results of comparisons of DREA computations with experimental data, which include entrainment, thrust, and local profile information, are overall good. Computational time studies indicate that DREA provides considerably more information at a lower computational cost than contemporary ejector nozzle design models. Finally. physical limitations of the method, deviations from experimental data, potential improvements and alternative formulations are described. This report represents closure to the NASA Graduate Researchers Program. Versions of the DREA code and a user's guide may be obtained from the NASA Lewis Research Center.

Seeing is believing: video classification for computed tomographic colonography using multiple-instance learning.

PubMed

Wang, Shijun; McKenna, Matthew T; Nguyen, Tan B; Burns, Joseph E; Petrick, Nicholas; Sahiner, Berkman; Summers, Ronald M

2012-05-01

In this paper, we present development and testing results for a novel colonic polyp classification method for use as part of a computed tomographic colonography (CTC) computer-aided detection (CAD) system. Inspired by the interpretative methodology of radiologists using 3-D fly-through mode in CTC reading, we have developed an algorithm which utilizes sequences of images (referred to here as videos) for classification of CAD marks. For each CAD mark, we created a video composed of a series of intraluminal, volume-rendered images visualizing the detection from multiple viewpoints. We then framed the video classification question as a multiple-instance learning (MIL) problem. Since a positive (negative) bag may contain negative (positive) instances, which in our case depends on the viewing angles and camera distance to the target, we developed a novel MIL paradigm to accommodate this class of problems. We solved the new MIL problem by maximizing a L2-norm soft margin using semidefinite programming, which can optimize relevant parameters automatically. We tested our method by analyzing a CTC data set obtained from 50 patients from three medical centers. Our proposed method showed significantly better performance compared with several traditional MIL methods.

Seeing is Believing: Video Classification for Computed Tomographic Colonography Using Multiple-Instance Learning

PubMed Central

Wang, Shijun; McKenna, Matthew T.; Nguyen, Tan B.; Burns, Joseph E.; Petrick, Nicholas; Sahiner, Berkman

2012-01-01

In this paper we present development and testing results for a novel colonic polyp classification method for use as part of a computed tomographic colonography (CTC) computer-aided detection (CAD) system. Inspired by the interpretative methodology of radiologists using 3D fly-through mode in CTC reading, we have developed an algorithm which utilizes sequences of images (referred to here as videos) for classification of CAD marks. For each CAD mark, we created a video composed of a series of intraluminal, volume-rendered images visualizing the detection from multiple viewpoints. We then framed the video classification question as a multiple-instance learning (MIL) problem. Since a positive (negative) bag may contain negative (positive) instances, which in our case depends on the viewing angles and camera distance to the target, we developed a novel MIL paradigm to accommodate this class of problems. We solved the new MIL problem by maximizing a L2-norm soft margin using semidefinite programming, which can optimize relevant parameters automatically. We tested our method by analyzing a CTC data set obtained from 50 patients from three medical centers. Our proposed method showed significantly better performance compared with several traditional MIL methods. PMID:22552333

New Challenges in Computational Thermal Hydraulics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadigaroglu, George; Lakehal, Djamel

New needs and opportunities drive the development of novel computational methods for the design and safety analysis of light water reactors (LWRs). Some new methods are likely to be three dimensional. Coupling is expected between system codes, computational fluid dynamics (CFD) modules, and cascades of computations at scales ranging from the macro- or system scale to the micro- or turbulence scales, with the various levels continuously exchanging information back and forth. The ISP-42/PANDA and the international SETH project provide opportunities for testing applications of single-phase CFD methods to LWR safety problems. Although industrial single-phase CFD applications are commonplace, computational multifluidmore » dynamics is still under development. However, first applications are appearing; the state of the art and its potential uses are discussed. The case study of condensation of steam/air mixtures injected from a downward-facing vent into a pool of water is a perfect illustration of a simulation cascade: At the top of the hierarchy of scales, system behavior can be modeled with a system code; at the central level, the volume-of-fluid method can be applied to predict large-scale bubbling behavior; at the bottom of the cascade, direct-contact condensation can be treated with direct numerical simulation, in which turbulent flow (in both the gas and the liquid), interfacial dynamics, and heat/mass transfer are directly simulated without resorting to models.« less

Computer-Based Radiographic Quantification of Joint Space Narrowing Progression Using Sequential Hand Radiographs: Validation Study in Rheumatoid Arthritis Patients from Multiple Institutions.

PubMed

Ichikawa, Shota; Kamishima, Tamotsu; Sutherland, Kenneth; Fukae, Jun; Katayama, Kou; Aoki, Yuko; Okubo, Takanobu; Okino, Taichi; Kaneda, Takahiko; Takagi, Satoshi; Tanimura, Kazuhide

2017-10-01

We have developed a refined computer-based method to detect joint space narrowing (JSN) progression with the joint space narrowing progression index (JSNPI) by superimposing sequential hand radiographs. The purpose of this study is to assess the validity of a computer-based method using images obtained from multiple institutions in rheumatoid arthritis (RA) patients. Sequential hand radiographs of 42 patients (37 females and 5 males) with RA from two institutions were analyzed by a computer-based method and visual scoring systems as a standard of reference. The JSNPI above the smallest detectable difference (SDD) defined JSN progression on the joint level. The sensitivity and specificity of the computer-based method for JSN progression was calculated using the SDD and a receiver operating characteristic (ROC) curve. Out of 314 metacarpophalangeal joints, 34 joints progressed based on the SDD, while 11 joints widened. Twenty-one joints progressed in the computer-based method, 11 joints in the scoring systems, and 13 joints in both methods. Based on the SDD, we found lower sensitivity and higher specificity with 54.2 and 92.8%, respectively. At the most discriminant cutoff point according to the ROC curve, the sensitivity and specificity was 70.8 and 81.7%, respectively. The proposed computer-based method provides quantitative measurement of JSN progression using sequential hand radiographs and may be a useful tool in follow-up assessment of joint damage in RA patients.

Improved Hybrid Modeling of Spent Fuel Storage Facilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bibber, Karl van

This work developed a new computational method for improving the ability to calculate the neutron flux in deep-penetration radiation shielding problems that contain areas with strong streaming. The “gold standard” method for radiation transport is Monte Carlo (MC) as it samples the physics exactly and requires few approximations. Historically, however, MC was not useful for shielding problems because of the computational challenge of following particles through dense shields. Instead, deterministic methods, which are superior in term of computational effort for these problems types but are not as accurate, were used. Hybrid methods, which use deterministic solutions to improve MC calculationsmore » through a process called variance reduction, can make it tractable from a computational time and resource use perspective to use MC for deep-penetration shielding. Perhaps the most widespread and accessible of these methods are the Consistent Adjoint Driven Importance Sampling (CADIS) and Forward-Weighted CADIS (FW-CADIS) methods. For problems containing strong anisotropies, such as power plants with pipes through walls, spent fuel cask arrays, active interrogation, and locations with small air gaps or plates embedded in water or concrete, hybrid methods are still insufficiently accurate. In this work, a new method for generating variance reduction parameters for strongly anisotropic, deep penetration radiation shielding studies was developed. This method generates an alternate form of the adjoint scalar flux quantity, Φ Ω, which is used by both CADIS and FW-CADIS to generate variance reduction parameters for local and global response functions, respectively. The new method, called CADIS-Ω, was implemented in the Denovo/ADVANTG software. Results indicate that the flux generated by CADIS-Ω incorporates localized angular anisotropies in the flux more effectively than standard methods. CADIS-Ω outperformed CADIS in several test problems. This initial work indicates that CADIS- may be highly useful for shielding problems with strong angular anisotropies. This is a benefit to the public by increasing accuracy for lower computational effort for many problems that have energy, security, and economic importance.« less

Design of a Variational Multiscale Method for Turbulent Compressible Flows

NASA Technical Reports Server (NTRS)

Diosady, Laslo Tibor; Murman, Scott M.

2013-01-01

A spectral-element framework is presented for the simulation of subsonic compressible high-Reynolds-number flows. The focus of the work is maximizing the efficiency of the computational schemes to enable unsteady simulations with a large number of spatial and temporal degrees of freedom. A collocation scheme is combined with optimized computational kernels to provide a residual evaluation with computational cost independent of order of accuracy up to 16th order. The optimized residual routines are used to develop a low-memory implicit scheme based on a matrix-free Newton-Krylov method. A preconditioner based on the finite-difference diagonalized ADI scheme is developed which maintains the low memory of the matrix-free implicit solver, while providing improved convergence properties. Emphasis on low memory usage throughout the solver development is leveraged to implement a coupled space-time DG solver which may offer further efficiency gains through adaptivity in both space and time.

Design of automata theory of cubical complexes with applications to diagnosis and algorithmic description

NASA Technical Reports Server (NTRS)

Roth, J. P.

1972-01-01

The following problems are considered: (1) methods for development of logic design together with algorithms, so that it is possible to compute a test for any failure in the logic design, if such a test exists, and developing algorithms and heuristics for the purpose of minimizing the computation for tests; and (2) a method of design of logic for ultra LSI (large scale integration). It was discovered that the so-called quantum calculus can be extended to render it possible: (1) to describe the functional behavior of a mechanism component by component, and (2) to compute tests for failures, in the mechanism, using the diagnosis algorithm. The development of an algorithm for the multioutput two-level minimization problem is presented and the program MIN 360 was written for this algorithm. The program has options of mode (exact minimum or various approximations), cost function, cost bound, etc., providing flexibility.

Integrating computer programs for engineering analysis and design

NASA Technical Reports Server (NTRS)

Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

1983-01-01

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

An efficient graph theory based method to identify every minimal reaction set in a metabolic network

PubMed Central

2014-01-01

Background Development of cells with minimal metabolic functionality is gaining importance due to their efficiency in producing chemicals and fuels. Existing computational methods to identify minimal reaction sets in metabolic networks are computationally expensive. Further, they identify only one of the several possible minimal reaction sets. Results In this paper, we propose an efficient graph theory based recursive optimization approach to identify all minimal reaction sets. Graph theoretical insights offer systematic methods to not only reduce the number of variables in math programming and increase its computational efficiency, but also provide efficient ways to find multiple optimal solutions. The efficacy of the proposed approach is demonstrated using case studies from Escherichia coli and Saccharomyces cerevisiae. In case study 1, the proposed method identified three minimal reaction sets each containing 38 reactions in Escherichia coli central metabolic network with 77 reactions. Analysis of these three minimal reaction sets revealed that one of them is more suitable for developing minimal metabolism cell compared to other two due to practically achievable internal flux distribution. In case study 2, the proposed method identified 256 minimal reaction sets from the Saccharomyces cerevisiae genome scale metabolic network with 620 reactions. The proposed method required only 4.5 hours to identify all the 256 minimal reaction sets and has shown a significant reduction (approximately 80%) in the solution time when compared to the existing methods for finding minimal reaction set. Conclusions Identification of all minimal reactions sets in metabolic networks is essential since different minimal reaction sets have different properties that effect the bioprocess development. The proposed method correctly identified all minimal reaction sets in a both the case studies. The proposed method is computationally efficient compared to other methods for finding minimal reaction sets and useful to employ with genome-scale metabolic networks. PMID:24594118

The method of complex characteristics for design of transonic blade sections

NASA Technical Reports Server (NTRS)

Bledsoe, M. R.

1986-01-01

A variety of computational methods were developed to obtain shockless or near shockless flow past two-dimensional airfoils. The approach used was the method of complex characteristics, which determines smooth solutions to the transonic flow equations based on an input speed distribution. General results from fluid mechanics are presented. An account of the method of complex characteristics is given including a description of the particular spaces and coordinates, conformal transformations, and numerical procedures that are used. The operation of the computer program COMPRES is presented along with examples of blade sections designed with the code. A user manual is included with a glossary to provide additional information which may be helpful. The computer program in Fortran, including numerous comment cards is listed.

Hybrid massively parallel fast sweeping method for static Hamilton–Jacobi equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Detrixhe, Miles, E-mail: mdetrixhe@engineering.ucsb.edu; University of California Santa Barbara, Santa Barbara, CA, 93106; Gibou, Frédéric, E-mail: fgibou@engineering.ucsb.edu

The fast sweeping method is a popular algorithm for solving a variety of static Hamilton–Jacobi equations. Fast sweeping algorithms for parallel computing have been developed, but are severely limited. In this work, we present a multilevel, hybrid parallel algorithm that combines the desirable traits of two distinct parallel methods. The fine and coarse grained components of the algorithm take advantage of heterogeneous computer architecture common in high performance computing facilities. We present the algorithm and demonstrate its effectiveness on a set of example problems including optimal control, dynamic games, and seismic wave propagation. We give results for convergence, parallel scaling,more » and show state-of-the-art speedup values for the fast sweeping method.« less

Algorithmic trends in computational fluid dynamics; The Institute for Computer Applications in Science and Engineering (ICASE)/LaRC Workshop, NASA Langley Research Center, Hampton, VA, US, Sep. 15-17, 1991

NASA Technical Reports Server (NTRS)

Hussaini, M. Y. (Editor); Kumar, A. (Editor); Salas, M. D. (Editor)

1993-01-01

The purpose here is to assess the state of the art in the areas of numerical analysis that are particularly relevant to computational fluid dynamics (CFD), to identify promising new developments in various areas of numerical analysis that will impact CFD, and to establish a long-term perspective focusing on opportunities and needs. Overviews are given of discretization schemes, computational fluid dynamics, algorithmic trends in CFD for aerospace flow field calculations, simulation of compressible viscous flow, and massively parallel computation. Also discussed are accerelation methods, spectral and high-order methods, multi-resolution and subcell resolution schemes, and inherently multidimensional schemes.

Models for evaluating the performability of degradable computing systems

NASA Technical Reports Server (NTRS)

Wu, L. T.

1982-01-01

Recent advances in multiprocessor technology established the need for unified methods to evaluate computing systems performance and reliability. In response to this modeling need, a general modeling framework that permits the modeling, analysis and evaluation of degradable computing systems is considered. Within this framework, several user oriented performance variables are identified and shown to be proper generalizations of the traditional notions of system performance and reliability. Furthermore, a time varying version of the model is developed to generalize the traditional fault tree reliability evaluation methods of phased missions.

Information computer program for laser therapy and laser puncture

NASA Astrophysics Data System (ADS)

Badovets, Nadegda N.; Medvedev, Andrei V.

1995-03-01

An informative computer program containing laser therapy and puncture methods has been developed. It was used successfully in connection with the compact Russian medical laser apparatus HELIOS-O1M in laser treatment and the education process.

EPAS TOXCAST PROGRAM FOR PREDICTING HAZARD AND PRIORITIZING TOXICITY TESTING OF ENVIRONMENTAL CHEMICALS(S).

EPA Science Inventory

EPAs National Center for Computational Toxicology is developing methods that apply computational chemistry, high-throughput screening (HTS) and genomic technologies to predict potential toxicity and prioritize the use of limited testing resources.

Tool for analysis of early age transverse cracking of composite bridge decks.

DOT National Transportation Integrated Search

2011-08-29

"Executive Summary: Computational methods and associated software were developed : to compute stresses in HP concrete composite bridge decks due to temperature, shrinkage, and : vehicle loading. The structural analysis program uses a layered finite e...

A transient FETI methodology for large-scale parallel implicit computations in structural mechanics

NASA Technical Reports Server (NTRS)

Farhat, Charbel; Crivelli, Luis; Roux, Francois-Xavier

1992-01-01

Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.

A Method for Growing Bio-memristors from Slime Mold

PubMed Central

Miranda, Eduardo Reck; Braund, Edward

2017-01-01

Our research is aimed at gaining a better understanding of the electronic properties of organisms in order to engineer novel bioelectronic systems and computing architectures based on biology. This specific paper focuses on harnessing the unicellular slime mold Physarum polycephalum to develop bio-memristors (or biological memristors) and bio-computing devices. The memristor is a resistor that possesses memory. It is the 4th fundamental passive circuit element (the other three are the resistor, the capacitor, and the inductor), which is paving the way for the design of new kinds of computing systems; e.g., computers that might relinquish the distinction between storage and a central processing unit. When applied with an AC voltage, the current vs. voltage characteristic of a memristor is a pinched hysteresis loop. It has been shown that P. polycephalum produces pinched hysteresis loops under AC voltages and displays adaptive behavior that is comparable with the functioning of a memristor. This paper presents the method that we developed for implementing bio-memristors with P. polycephalum and introduces the development of a receptacle to culture the organism, which facilitates its deployment as an electronic circuit component. Our method has proven to decrease growth time, increase component lifespan, and standardize electrical observations. PMID:29155754

The use of methods of structural optimization at the stage of designing high-rise buildings with steel construction

NASA Astrophysics Data System (ADS)

Vasilkin, Andrey

2018-03-01

The more designing solutions at the search stage for design for high-rise buildings can be synthesized by the engineer, the more likely that the final adopted version will be the most efficient and economical. However, in modern market conditions, taking into account the complexity and responsibility of high-rise buildings the designer does not have the necessary time to develop, analyze and compare any significant number of options. To solve this problem, it is expedient to use the high potential of computer-aided designing. To implement automated search for design solutions, it is proposed to develop the computing facilities, the application of which will significantly increase the productivity of the designer and reduce the complexity of designing. Methods of structural and parametric optimization have been adopted as the basis of the computing facilities. Their efficiency in the synthesis of design solutions is shown, also the schemes, that illustrate and explain the introduction of structural optimization in the traditional design of steel frames, are constructed. To solve the problem of synthesis and comparison of design solutions for steel frames, it is proposed to develop the computing facilities that significantly reduces the complexity of search designing and based on the use of methods of structural and parametric optimization.

Microstructure-Property-Design Relationships in the Simulation Era: An Introduction (PREPRINT)

DTIC Science & Technology

2010-01-01

Astronautics (AIAA) paper #1026. 20. Dimiduk DM (1998) Systems engineering of gamma titanium aluminides : impact of fundamentals on development strategy...microstructure-sensitive design tools for single-crystal turbine blades provides an accessible glimpse into future computational tools and their data...requirements. 15. SUBJECT TERMS single-crystal turbine blades , computational methods, integrated computational materials 16. SECURITY

Computing Principal Eigenvectors of Large Web Graphs: Algorithms and Accelerations Related to PageRank and HITS

ERIC Educational Resources Information Center

Nagasinghe, Iranga

2010-01-01

This thesis investigates and develops a few acceleration techniques for the search engine algorithms used in PageRank and HITS computations. PageRank and HITS methods are two highly successful applications of modern Linear Algebra in computer science and engineering. They constitute the essential technologies accounted for the immense growth and…

Different but Similar: Computer Use Patterns between Young Korean Males and Females

ERIC Educational Resources Information Center

Lim, Keol; Meier, Ellen B.

2011-01-01

This study was developed to identify and describe new trends and gender differences in the use of computers and the Internet in South Korea. In this mixed-method study, both quantitative and qualitative techniques were used. Results indicated that both males and females used computers generally for four purposes: social networking, personal…

Computer-Assisted Performance Evaluation for Navy Anti-Air Warfare Training: Concepts, Methods, and Constraints.

ERIC Educational Resources Information Center

Chesler, David J.

An improved general methodological approach for the development of computer-assisted evaluation of trainee performance in the computer-based simulation environment is formulated in this report. The report focuses on the Tactical Advanced Combat Direction and Electronic Warfare system (TACDEW) at the Fleet Anti-Air Warfare Training Center at San…

The World through Glass: Developing Novel Methods with Wearable Computing for Urban Videographic Research

ERIC Educational Resources Information Center

Paterson, Mark; Glass, Michael R.

2015-01-01

Google Glass was deployed in an Urban Studies field course to gather videographic data for team-based student research projects. We evaluate the potential for wearable computing technology such as Glass, in combination with other mobile computing devices, to enhance reflexive research skills, and videography in particular, during field research.…

The Effect of Computer-Assisted Teaching on Remedying Misconceptions: The Case of the Subject "Probability"

ERIC Educational Resources Information Center

Gurbuz, Ramazan; Birgin, Osman

2012-01-01

The aim of this study is to determine the effects of computer-assisted teaching (CAT) on remedying misconceptions students often have regarding some probability concepts in mathematics. Toward this aim, computer-assisted teaching materials were developed and used in the process of teaching. Within the true-experimental research method, a pre- and…

Enabling Self-Directed Computer Use for Individuals with Cerebral Palsy: A Systematic Review of Assistive Devices and Technologies

ERIC Educational Resources Information Center

Davies, T. Claire; Mudge, Suzie; Ameratunga, Shanthi; Stott, N. Susan

2010-01-01

Aim: The purpose of this study was to systematically review published evidence on the development, use, and effectiveness of devices and technologies that enable or enhance self-directed computer access by individuals with cerebral palsy (CP). Methods: Nine electronic databases were searched using keywords "computer", "software", "spastic",…

Effects of Attitudes and Behaviours on Learning Mathematics with Computer Tools

ERIC Educational Resources Information Center

Reed, Helen C.; Drijvers, Paul; Kirschner, Paul A.

2010-01-01

This mixed-methods study investigates the effects of student attitudes and behaviours on the outcomes of learning mathematics with computer tools. A computer tool was used to help students develop the mathematical concept of function. In the whole sample (N = 521), student attitudes could account for a 3.4 point difference in test scores between…

Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

NASA Technical Reports Server (NTRS)

Navon, I. M.

1984-01-01

A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

Gradient optimization and nonlinear control

NASA Technical Reports Server (NTRS)

Hasdorff, L.

1976-01-01

The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

PubMed Central

2012-01-01

Metabolism of xenobiotics remains a central challenge for the discovery and development of drugs, cosmetics, nutritional supplements, and agrochemicals. Metabolic transformations are frequently related to the incidence of toxic effects that may result from the emergence of reactive species, the systemic accumulation of metabolites, or by induction of metabolic pathways. Experimental investigation of the metabolism of small organic molecules is particularly resource demanding; hence, computational methods are of considerable interest to complement experimental approaches. This review provides a broad overview of structure- and ligand-based computational methods for the prediction of xenobiotic metabolism. Current computational approaches to address xenobiotic metabolism are discussed from three major perspectives: (i) prediction of sites of metabolism (SOMs), (ii) elucidation of potential metabolites and their chemical structures, and (iii) prediction of direct and indirect effects of xenobiotics on metabolizing enzymes, where the focus is on the cytochrome P450 (CYP) superfamily of enzymes, the cardinal xenobiotics metabolizing enzymes. For each of these domains, a variety of approaches and their applications are systematically reviewed, including expert systems, data mining approaches, quantitative structure–activity relationships (QSARs), and machine learning-based methods, pharmacophore-based algorithms, shape-focused techniques, molecular interaction fields (MIFs), reactivity-focused techniques, protein–ligand docking, molecular dynamics (MD) simulations, and combinations of methods. Predictive metabolism is a developing area, and there is still enormous potential for improvement. However, it is clear that the combination of rapidly increasing amounts of available ligand- and structure-related experimental data (in particular, quantitative data) with novel and diverse simulation and modeling approaches is accelerating the development of effective tools for prediction of in vivo metabolism, which is reflected by the diverse and comprehensive data sources and methods for metabolism prediction reviewed here. This review attempts to survey the range and scope of computational methods applied to metabolism prediction and also to compare and contrast their applicability and performance. PMID:22339582

Computing Quantitative Characteristics of Finite-State Real-Time Systems

DTIC Science & Technology

1994-05-04

Current methods for verifying real - time systems are essentially decision procedures that establish whether the system model satisfies a given...specification. We present a general method for computing quantitative information about finite-state real - time systems . We have developed algorithms that...our technique can be extended to a more general representation of real - time systems , namely, timed transition graphs. The algorithms presented in this

The Effects of Computer-Assisted Instruction Based on Top-Level Structure Method in English Reading and Writing Abilities of Thai EFL Students

ERIC Educational Resources Information Center

Jinajai, Nattapong; Rattanavich, Saowalak

2015-01-01

This research aims to study the development of ninth grade students' reading and writing abilities and interests in learning English taught through computer-assisted instruction (CAI) based on the top-level structure (TLS) method. An experimental group time series design was used, and the data was analyzed by multivariate analysis of variance…

A direct method for computing extreme value (Gumbel) parameters for gapped biological sequence alignments.

PubMed

Quinn, Terrance; Sinkala, Zachariah

2014-01-01

We develop a general method for computing extreme value distribution (Gumbel, 1958) parameters for gapped alignments. Our approach uses mixture distribution theory to obtain associated BLOSUM matrices for gapped alignments, which in turn are used for determining significance of gapped alignment scores for pairs of biological sequences. We compare our results with parameters already obtained in the literature.

Computational Electromagnetics Application to Small Geometric Anomalies and Associated Ucertainty Evaluation

DTIC Science & Technology

2010-02-28

implemented a fast method to enable the statistical characterization of electromagnetic interference and compatibility (EMI/EMC) phenomena on electrically...higher accuracy is needed, e.g., to compute higher moment statistics . To address this problem, we have developed adaptive stochastic collocation methods ...SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES) AF OFFICE OF SCIENTIFIC RESEARCH 875 N. RANDOLPH ST. ROOM 3112 ARLINGTON VA 22203 UA

Identification of an Adaptable Computer Program Design for Analyzing a Modular Organizational Assessment Instrument.

DTIC Science & Technology

1981-09-01

ber) Survey-guided development Organizational effectiveness Computer program Organizational diagnosis Management 20. ABSTRACT (Continue an reverse...Army. Doctoral dissertation, Purdue University, December 1977. (DTIC AD-A059-542) Bowers, D. G. Organizational diagnosis : A review and a proposed method...G. E. Compara- tive issues and methods in organizational diagnosis . Ann Arbor MI: Institute for Social Research, University of Michigan, November 1977

Thermal stress analysis of reusable surface insulation for shuttle

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Levy, A.; Austin, F.

1974-01-01

An iterative procedure for accurately determining tile stresses associated with static mechanical and thermally induced internal loads is presented. The necessary conditions for convergence of the method are derived. An user-oriented computer program based upon the present method of analysis was developed. The program is capable of analyzing multi-tiled panels and determining the associated stresses. Typical numerical results from this computer program are presented.

Validation of the thermal challenge problem using Bayesian Belief Networks.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McFarland, John; Swiler, Laura Painton

The thermal challenge problem has been developed at Sandia National Laboratories as a testbed for demonstrating various types of validation approaches and prediction methods. This report discusses one particular methodology to assess the validity of a computational model given experimental data. This methodology is based on Bayesian Belief Networks (BBNs) and can incorporate uncertainty in experimental measurements, in physical quantities, and model uncertainties. The approach uses the prior and posterior distributions of model output to compute a validation metric based on Bayesian hypothesis testing (a Bayes' factor). This report discusses various aspects of the BBN, specifically in the context ofmore » the thermal challenge problem. A BBN is developed for a given set of experimental data in a particular experimental configuration. The development of the BBN and the method for ''solving'' the BBN to develop the posterior distribution of model output through Monte Carlo Markov Chain sampling is discussed in detail. The use of the BBN to compute a Bayes' factor is demonstrated.« less

Towards a Highly Efficient Meshfree Simulation of Non-Newtonian Free Surface Ice Flow: Application to the Haut Glacier d'Arolla

NASA Astrophysics Data System (ADS)

Shcherbakov, V.; Ahlkrona, J.

2016-12-01

In this work we develop a highly efficient meshfree approach to ice sheet modeling. Traditionally mesh based methods such as finite element methods are employed to simulate glacier and ice sheet dynamics. These methods are mature and well developed. However, despite of numerous advantages these methods suffer from some drawbacks such as necessity to remesh the computational domain every time it changes its shape, which significantly complicates the implementation on moving domains, or a costly assembly procedure for nonlinear problems. We introduce a novel meshfree approach that frees us from all these issues. The approach is built upon a radial basis function (RBF) method that, thanks to its meshfree nature, allows for an efficient handling of moving margins and free ice surface. RBF methods are also accurate and easy to implement. Since the formulation is stated in strong form it allows for a substantial reduction of the computational cost associated with the linear system assembly inside the nonlinear solver. We implement a global RBF method that defines an approximation on the entire computational domain. This method exhibits high accuracy properties. However, it suffers from a disadvantage that the coefficient matrix is dense, and therefore the computational efficiency decreases. In order to overcome this issue we also implement a localized RBF method that rests upon a partition of unity approach to subdivide the domain into several smaller subdomains. The radial basis function partition of unity method (RBF-PUM) inherits high approximation characteristics form the global RBF method while resulting in a sparse system of equations, which essentially increases the computational efficiency. To demonstrate the usefulness of the RBF methods we model the velocity field of ice flow in the Haut Glacier d'Arolla. We assume that the flow is governed by the nonlinear Blatter-Pattyn equations. We test the methods for different basal conditions and for a free moving surface. Both RBF methods are compared with a classical finite element method in terms of accuracy and efficiency. We find that the RBF methods are more efficient than the finite element method and well suited for ice dynamics modeling, especially the partition of unity approach.

Viscous wing theory development. Volume 1: Analysis, method and results

NASA Technical Reports Server (NTRS)

Chow, R. R.; Melnik, R. E.; Marconi, F.; Steinhoff, J.

1986-01-01

Viscous transonic flows at large Reynolds numbers over 3-D wings were analyzed using a zonal viscid-inviscid interaction approach. A new numerical AFZ scheme was developed in conjunction with the finite volume formulation for the solution of the inviscid full-potential equation. A special far-field asymptotic boundary condition was developed and a second-order artificial viscosity included for an improved inviscid solution methodology. The integral method was used for the laminar/turbulent boundary layer and 3-D viscous wake calculation. The interaction calculation included the coupling conditions of the source flux due to the wing surface boundary layer, the flux jump due to the viscous wake, and the wake curvature effect. A method was also devised incorporating the 2-D trailing edge strong interaction solution for the normal pressure correction near the trailing edge region. A fully automated computer program was developed to perform the proposed method with one scalar version to be used on an IBM-3081 and two vectorized versions on Cray-1 and Cyber-205 computers.

Computer-aided detection of renal calculi from noncontrast CT images using TV-flow and MSER features.

PubMed

Liu, Jianfei; Wang, Shijun; Turkbey, Evrim B; Linguraru, Marius George; Yao, Jianhua; Summers, Ronald M

2015-01-01

Renal calculi are common extracolonic incidental findings on computed tomographic colonography (CTC). This work aims to develop a fully automated computer-aided diagnosis system to accurately detect renal calculi on CTC images. The authors developed a total variation (TV) flow method to reduce image noise within the kidneys while maintaining the characteristic appearance of renal calculi. Maximally stable extremal region (MSER) features were then calculated to robustly identify calculi candidates. Finally, the authors computed texture and shape features that were imported to support vector machines for calculus classification. The method was validated on a dataset of 192 patients and compared to a baseline approach that detects calculi by thresholding. The authors also compared their method with the detection approaches using anisotropic diffusion and nonsmoothing. At a false positive rate of 8 per patient, the sensitivities of the new method and the baseline thresholding approach were 69% and 35% (p < 1e - 3) on all calculi from 1 to 433 mm(3) in the testing dataset. The sensitivities of the detection methods using anisotropic diffusion and nonsmoothing were 36% and 0%, respectively. The sensitivity of the new method increased to 90% if only larger and more clinically relevant calculi were considered. Experimental results demonstrated that TV-flow and MSER features are efficient means to robustly and accurately detect renal calculi on low-dose, high noise CTC images. Thus, the proposed method can potentially improve diagnosis.

Variational optical flow computation in real time.

PubMed

Bruhn, Andrés; Weickert, Joachim; Feddern, Christian; Kohlberger, Timo; Schnörr, Christoph

2005-05-01

This paper investigates the usefulness of bidirectional multigrid methods for variational optical flow computations. Although these numerical schemes are among the fastest methods for solving equation systems, they are rarely applied in the field of computer vision. We demonstrate how to employ those numerical methods for the treatment of variational optical flow formulations and show that the efficiency of this approach even allows for real-time performance on standard PCs. As a representative for variational optic flow methods, we consider the recently introduced combined local-global method. It can be considered as a noise-robust generalization of the Horn and Schunck technique. We present a decoupled, as well as a coupled, version of the classical Gauss-Seidel solver, and we develop several multgrid implementations based on a discretization coarse grid approximation. In contrast, with standard bidirectional multigrid algorithms, we take advantage of intergrid transfer operators that allow for nondyadic grid hierarchies. As a consequence, no restrictions concerning the image size or the number of traversed levels have to be imposed. In the experimental section, we juxtapose the developed multigrid schemes and demonstrate their superior performance when compared to unidirectional multgrid methods and nonhierachical solvers. For the well-known 316 x 252 Yosemite sequence, we succeeded in computing the complete set of dense flow fields in three quarters of a second on a 3.06-GHz Pentium4 PC. This corresponds to a frame rate of 18 flow fields per second which outperforms the widely-used Gauss-Seidel method by almost three orders of magnitude.

Advances in visual representation of molecular potentials.

PubMed

Du, Qi-Shi; Huang, Ri-Bo; Chou, Kuo-Chen

2010-06-01

The recent advances in visual representations of molecular properties in 3D space are summarized, and their applications in molecular modeling study and rational drug design are introduced. The visual representation methods provide us with detailed insights into protein-ligand interactions, and hence can play a major role in elucidating the structure or reactivity of a biomolecular system. Three newly developed computation and visualization methods for studying the physical and chemical properties of molecules are introduced, including their electrostatic potential, lipophilicity potential and excess chemical potential. The newest application examples of visual representations in structure-based rational drug are presented. The 3D electrostatic potentials, calculated using the empirical method (EM-ESP), in which the classical Coulomb equation and traditional atomic partial changes are discarded, are highly consistent with the results by the higher level quantum chemical method. The 3D lipophilicity potentials, computed by the heuristic molecular lipophilicity potential method based on the principles of quantum mechanics and statistical mechanics, are more accurate and reliable than those by using the traditional empirical methods. The 3D excess chemical potentials, derived by the reference interaction site model-hypernetted chain theory, provide a new tool for computational chemistry and molecular modeling. For structure-based drug design, the visual representations of molecular properties will play a significant role in practical applications. It is anticipated that the new advances in computational chemistry will stimulate the development of molecular modeling methods, further enriching the visual representation techniques for rational drug design, as well as other relevant fields in life science.

BCILAB: a platform for brain-computer interface development

NASA Astrophysics Data System (ADS)

Kothe, Christian Andreas; Makeig, Scott

2013-10-01

Objective. The past two decades have seen dramatic progress in our ability to model brain signals recorded by electroencephalography, functional near-infrared spectroscopy, etc., and to derive real-time estimates of user cognitive state, response, or intent for a variety of purposes: to restore communication by the severely disabled, to effect brain-actuated control and, more recently, to augment human-computer interaction. Continuing these advances, largely achieved through increases in computational power and methods, requires software tools to streamline the creation, testing, evaluation and deployment of new data analysis methods. Approach. Here we present BCILAB, an open-source MATLAB-based toolbox built to address the need for the development and testing of brain-computer interface (BCI) methods by providing an organized collection of over 100 pre-implemented methods and method variants, an easily extensible framework for the rapid prototyping of new methods, and a highly automated framework for systematic testing and evaluation of new implementations. Main results. To validate and illustrate the use of the framework, we present two sample analyses of publicly available data sets from recent BCI competitions and from a rapid serial visual presentation task. We demonstrate the straightforward use of BCILAB to obtain results compatible with the current BCI literature. Significance. The aim of the BCILAB toolbox is to provide the BCI community a powerful toolkit for methods research and evaluation, thereby helping to accelerate the pace of innovation in the field, while complementing the existing spectrum of tools for real-time BCI experimentation, deployment and use.

The pKa Cooperative: A Collaborative Effort to Advance Structure-Based Calculations of pKa values and Electrostatic Effects in Proteins

PubMed Central

Nielsen, Jens E.; Gunner, M. R.; Bertrand García-Moreno, E.

2012-01-01

The pKa Cooperative http://www.pkacoop.org was organized to advance development of accurate and useful computational methods for structure-based calculation of pKa values and electrostatic energy in proteins. The Cooperative brings together laboratories with expertise and interest in theoretical, computational and experimental studies of protein electrostatics. To improve structure-based energy calculations it is necessary to better understand the physical character and molecular determinants of electrostatic effects. The Cooperative thus intends to foment experimental research into fundamental aspects of proteins that depend on electrostatic interactions. It will maintain a depository for experimental data useful for critical assessment of methods for structure-based electrostatics calculations. To help guide the development of computational methods the Cooperative will organize blind prediction exercises. As a first step, computational laboratories were invited to reproduce an unpublished set of experimental pKa values of acidic and basic residues introduced in the interior of staphylococcal nuclease by site-directed mutagenesis. The pKa values of these groups are unique and challenging to simulate owing to the large magnitude of their shifts relative to normal pKa values in water. Many computational methods were tested in this 1st Blind Prediction Challenge and critical assessment exercise. A workshop was organized in the Telluride Science Research Center to assess objectively the performance of many computational methods tested on this one extensive dataset. This volume of PROTEINS: Structure, Function, and Bioinformatics introduces the pKa Cooperative, presents reports submitted by participants in the blind prediction challenge, and highlights some of the problems in structure-based calculations identified during this exercise. PMID:22002877

Lessons learned in creating spacecraft computer systems: Implications for using Ada (R) for the space station

NASA Technical Reports Server (NTRS)

Tomayko, James E.

1986-01-01

Twenty-five years of spacecraft onboard computer development have resulted in a better understanding of the requirements for effective, efficient, and fault tolerant flight computer systems. Lessons from eight flight programs (Gemini, Apollo, Skylab, Shuttle, Mariner, Voyager, and Galileo) and three reserach programs (digital fly-by-wire, STAR, and the Unified Data System) are useful in projecting the computer hardware configuration of the Space Station and the ways in which the Ada programming language will enhance the development of the necessary software. The evolution of hardware technology, fault protection methods, and software architectures used in space flight in order to provide insight into the pending development of such items for the Space Station are reviewed.

RPM-WEBBSYS: A web-based computer system to apply the rational polynomial method for estimating static formation temperatures of petroleum and geothermal wells

NASA Astrophysics Data System (ADS)

Wong-Loya, J. A.; Santoyo, E.; Andaverde, J. A.; Quiroz-Ruiz, A.

2015-12-01

A Web-Based Computer System (RPM-WEBBSYS) has been developed for the application of the Rational Polynomial Method (RPM) to estimate static formation temperatures (SFT) of geothermal and petroleum wells. The system is also capable to reproduce the full thermal recovery processes occurred during the well completion. RPM-WEBBSYS has been programmed using advances of the information technology to perform more efficiently computations of SFT. RPM-WEBBSYS may be friendly and rapidly executed by using any computing device (e.g., personal computers and portable computing devices such as tablets or smartphones) with Internet access and a web browser. The computer system was validated using bottomhole temperature (BHT) measurements logged in a synthetic heat transfer experiment, where a good matching between predicted and true SFT was achieved. RPM-WEBBSYS was finally applied to BHT logs collected from well drilling and shut-in operations, where the typical problems of the under- and over-estimation of the SFT (exhibited by most of the existing analytical methods) were effectively corrected.

Three-phase short circuit calculation method based on pre-computed surface for doubly fed induction generator

NASA Astrophysics Data System (ADS)

Ma, J.; Liu, Q.

2018-02-01

This paper presents an improved short circuit calculation method, based on pre-computed surface to determine the short circuit current of a distribution system with multiple doubly fed induction generators (DFIGs). The short circuit current, injected into power grid by DFIG, is determined by low voltage ride through (LVRT) control and protection under grid fault. However, the existing methods are difficult to calculate the short circuit current of DFIG in engineering practice due to its complexity. A short circuit calculation method, based on pre-computed surface, was proposed by developing the surface of short circuit current changing with the calculating impedance and the open circuit voltage. And the short circuit currents were derived by taking into account the rotor excitation and crowbar activation time. Finally, the pre-computed surfaces of short circuit current at different time were established, and the procedure of DFIG short circuit calculation considering its LVRT was designed. The correctness of proposed method was verified by simulation.

Estimation of Hydrodynamic Impact Loads and Pressure Distributions on Bodies Approximating Elliptical Cylinders with Special Reference to Water Landings of Helicopters

NASA Technical Reports Server (NTRS)

Schnitzer, Emanuel; Hathaway, Melvin E

1953-01-01

An approximate method for computing water loads and pressure distributions on lightly loaded elliptical cylinders during oblique water impacts is presented. The method is of special interest for the case of emergency water landings of helicopters. This method makes use of theory developed and checked for landing impacts of seaplanes having bottom cross sections of V and scalloped contours. An illustrative example is given to show typical results obtained from the use of the proposed method of computation. The accuracy of the approximate method was evaluated through comparison with limited experimental data for two-dimensional drops of a rigid circular cylinder at a trim of 0 degrees and a flight -path angle of 90 degrees. The applicability of the proposed formulas to the design of rigid hulls is indicated by the rough agreement obtained between the computed and experimental results. A detailed computational procedure is included as an appendix.

Fusing Symbolic and Numerical Diagnostic Computations

NASA Technical Reports Server (NTRS)

James, Mark

2007-01-01

X-2000 Anomaly Detection Language denotes a developmental computing language, and the software that establishes and utilizes the language, for fusing two diagnostic computer programs, one implementing a numerical analysis method, the other implementing a symbolic analysis method into a unified event-based decision analysis software system for realtime detection of events (e.g., failures) in a spacecraft, aircraft, or other complex engineering system. The numerical analysis method is performed by beacon-based exception analysis for multi-missions (BEAMs), which has been discussed in several previous NASA Tech Briefs articles. The symbolic analysis method is, more specifically, an artificial-intelligence method of the knowledge-based, inference engine type, and its implementation is exemplified by the Spacecraft Health Inference Engine (SHINE) software. The goal in developing the capability to fuse numerical and symbolic diagnostic components is to increase the depth of analysis beyond that previously attainable, thereby increasing the degree of confidence in the computed results. In practical terms, the sought improvement is to enable detection of all or most events, with no or few false alarms.

Physical-geometric optics method for large size faceted particles.

PubMed

Sun, Bingqiang; Yang, Ping; Kattawar, George W; Zhang, Xiaodong

2017-10-02

A new physical-geometric optics method is developed to compute the single-scattering properties of faceted particles. It incorporates a general absorption vector to accurately account for inhomogeneous wave effects, and subsequently yields the relevant analytical formulas effective and computationally efficient for absorptive scattering particles. A bundle of rays incident on a certain facet can be traced as a single beam. For a beam incident on multiple facets, a systematic beam-splitting technique based on computer graphics is used to split the original beam into several sub-beams so that each sub-beam is incident only on an individual facet. The new beam-splitting technique significantly reduces the computational burden. The present physical-geometric optics method can be generalized to arbitrary faceted particles with either convex or concave shapes and with a homogeneous or an inhomogeneous (e.g., a particle with a core) composition. The single-scattering properties of irregular convex homogeneous and inhomogeneous hexahedra are simulated and compared to their counterparts from two other methods including a numerically rigorous method.

An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

NASA Technical Reports Server (NTRS)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.

A new ChainMail approach for real-time soft tissue simulation.

PubMed

Zhang, Jinao; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

2016-07-03

This paper presents a new ChainMail method for real-time soft tissue simulation. This method enables the use of different material properties for chain elements to accommodate various materials. Based on the ChainMail bounding region, a new time-saving scheme is developed to improve computational efficiency for isotropic materials. The proposed method also conserves volume and strain energy. Experimental results demonstrate that the proposed ChainMail method can not only accommodate isotropic, anisotropic and heterogeneous materials but also model incompressibility and relaxation behaviors of soft tissues. Further, the proposed method can achieve real-time computational performance.

Monte Carlo Perturbation Theory Estimates of Sensitivities to System Dimensions

DOE PAGES

Burke, Timothy P.; Kiedrowski, Brian C.

2017-12-11

Here, Monte Carlo methods are developed using adjoint-based perturbation theory and the differential operator method to compute the sensitivities of the k-eigenvalue, linear functions of the flux (reaction rates), and bilinear functions of the forward and adjoint flux (kinetics parameters) to system dimensions for uniform expansions or contractions. The calculation of sensitivities to system dimensions requires computing scattering and fission sources at material interfaces using collisions occurring at the interface—which is a set of events with infinitesimal probability. Kernel density estimators are used to estimate the source at interfaces using collisions occurring near the interface. The methods for computing sensitivitiesmore » of linear and bilinear ratios are derived using the differential operator method and adjoint-based perturbation theory and are shown to be equivalent to methods previously developed using a collision history–based approach. The methods for determining sensitivities to system dimensions are tested on a series of fast, intermediate, and thermal critical benchmarks as well as a pressurized water reactor benchmark problem with iterated fission probability used for adjoint-weighting. The estimators are shown to agree within 5% and 3σ of reference solutions obtained using direct perturbations with central differences for the majority of test problems.« less

Design for a Crane Metallic Structure Based on Imperialist Competitive Algorithm and Inverse Reliability Strategy

NASA Astrophysics Data System (ADS)

Fan, Xiao-Ning; Zhi, Bo

2017-07-01

Uncertainties in parameters such as materials, loading, and geometry are inevitable in designing metallic structures for cranes. When considering these uncertainty factors, reliability-based design optimization (RBDO) offers a more reasonable design approach. However, existing RBDO methods for crane metallic structures are prone to low convergence speed and high computational cost. A unilevel RBDO method, combining a discrete imperialist competitive algorithm with an inverse reliability strategy based on the performance measure approach, is developed. Application of the imperialist competitive algorithm at the optimization level significantly improves the convergence speed of this RBDO method. At the reliability analysis level, the inverse reliability strategy is used to determine the feasibility of each probabilistic constraint at each design point by calculating its α-percentile performance, thereby avoiding convergence failure, calculation error, and disproportionate computational effort encountered using conventional moment and simulation methods. Application of the RBDO method to an actual crane structure shows that the developed RBDO realizes a design with the best tradeoff between economy and safety together with about one-third of the convergence speed and the computational cost of the existing method. This paper provides a scientific and effective design approach for the design of metallic structures of cranes.

Arterial waveguide model for shear wave elastography: implementation and in vitro validation

NASA Astrophysics Data System (ADS)

Vaziri Astaneh, Ali; Urban, Matthew W.; Aquino, Wilkins; Greenleaf, James F.; Guddati, Murthy N.

2017-07-01

Arterial stiffness is found to be an early indicator of many cardiovascular diseases. Among various techniques, shear wave elastography has emerged as a promising tool for estimating local arterial stiffness through the observed dispersion of guided waves. In this paper, we develop efficient models for the computational simulation of guided wave dispersion in arterial walls. The models are capable of considering fluid-loaded tubes, immersed in fluid or embedded in a solid, which are encountered in in vitro/ex vivo, and in vivo experiments. The proposed methods are based on judiciously combining Fourier transformation and finite element discretization, leading to a significant reduction in computational cost while fully capturing complex 3D wave propagation. The developed methods are implemented in open-source code, and verified by comparing them with significantly more expensive, fully 3D finite element models. We also validate the models using the shear wave elastography of tissue-mimicking phantoms. The computational efficiency of the developed methods indicates the possibility of being able to estimate arterial stiffness in real time, which would be beneficial in clinical settings.

solveME: fast and reliable solution of nonlinear ME models.

PubMed

Yang, Laurence; Ma, Ding; Ebrahim, Ali; Lloyd, Colton J; Saunders, Michael A; Palsson, Bernhard O

2016-09-22

Genome-scale models of metabolism and macromolecular expression (ME) significantly expand the scope and predictive capabilities of constraint-based modeling. ME models present considerable computational challenges: they are much (>30 times) larger than corresponding metabolic reconstructions (M models), are multiscale, and growth maximization is a nonlinear programming (NLP) problem, mainly due to macromolecule dilution constraints. Here, we address these computational challenges. We develop a fast and numerically reliable solution method for growth maximization in ME models using a quad-precision NLP solver (Quad MINOS). Our method was up to 45 % faster than binary search for six significant digits in growth rate. We also develop a fast, quad-precision flux variability analysis that is accelerated (up to 60× speedup) via solver warm-starts. Finally, we employ the tools developed to investigate growth-coupled succinate overproduction, accounting for proteome constraints. Just as genome-scale metabolic reconstructions have become an invaluable tool for computational and systems biologists, we anticipate that these fast and numerically reliable ME solution methods will accelerate the wide-spread adoption of ME models for researchers in these fields.

Asthma management simulation for children: translating theory, methods, and strategies to effect behavior change.

PubMed

Shegog, Ross; Bartholomew, L Kay; Gold, Robert S; Pierrel, Elaine; Parcel, Guy S; Sockrider, Marianna M; Czyzewski, Danita I; Fernandez, Maria E; Berlin, Nina J; Abramson, Stuart

2006-01-01

Translating behavioral theories, models, and strategies to guide the development and structure of computer-based health applications is well recognized, although a continued challenge for program developers. A stepped approach to translate behavioral theory in the design of simulations to teach chronic disease management to children is described. This includes the translation steps to: 1) define target behaviors and their determinants, 2) identify theoretical methods to optimize behavioral change, and 3) choose educational strategies to effectively apply these methods and combine these into a cohesive computer-based simulation for health education. Asthma is used to exemplify a chronic health management problem and a computer-based asthma management simulation (Watch, Discover, Think and Act) that has been evaluated and shown to effect asthma self-management in children is used to exemplify the application of theory to practice. Impact and outcome evaluation studies have indicated the effectiveness of these steps in providing increased rigor and accountability, suggesting their utility for educators and developers seeking to apply simulations to enhance self-management behaviors in patients.

A Secure and Verifiable Outsourced Access Control Scheme in Fog-Cloud Computing.

PubMed

Fan, Kai; Wang, Junxiong; Wang, Xin; Li, Hui; Yang, Yintang

2017-07-24

With the rapid development of big data and Internet of things (IOT), the number of networking devices and data volume are increasing dramatically. Fog computing, which extends cloud computing to the edge of the network can effectively solve the bottleneck problems of data transmission and data storage. However, security and privacy challenges are also arising in the fog-cloud computing environment. Ciphertext-policy attribute-based encryption (CP-ABE) can be adopted to realize data access control in fog-cloud computing systems. In this paper, we propose a verifiable outsourced multi-authority access control scheme, named VO-MAACS. In our construction, most encryption and decryption computations are outsourced to fog devices and the computation results can be verified by using our verification method. Meanwhile, to address the revocation issue, we design an efficient user and attribute revocation method for it. Finally, analysis and simulation results show that our scheme is both secure and highly efficient.

Free surface profiles in river flows: Can standard energy-based gradually-varied flow computations be pursued?

NASA Astrophysics Data System (ADS)

Cantero, Francisco; Castro-Orgaz, Oscar; Garcia-Marín, Amanda; Ayuso, José Luis; Dey, Subhasish

2015-10-01

Is the energy equation for gradually-varied flow the best approximation for the free surface profile computations in river flows? Determination of flood inundation in rivers and natural waterways is based on the hydraulic computation of flow profiles. This is usually done using energy-based gradually-varied flow models, like HEC-RAS, that adopts a vertical division method for discharge prediction in compound channel sections. However, this discharge prediction method is not so accurate in the context of advancements over the last three decades. This paper firstly presents a study of the impact of discharge prediction on the gradually-varied flow computations by comparing thirteen different methods for compound channels, where both energy and momentum equations are applied. The discharge, velocity distribution coefficients, specific energy, momentum and flow profiles are determined. After the study of gradually-varied flow predictions, a new theory is developed to produce higher-order energy and momentum equations for rapidly-varied flow in compound channels. These generalized equations enable to describe the flow profiles with more generality than the gradually-varied flow computations. As an outcome, results of gradually-varied flow provide realistic conclusions for computations of flow in compound channels, showing that momentum-based models are in general more accurate; whereas the new theory developed for rapidly-varied flow opens a new research direction, so far not investigated in flows through compound channels.

Validating an operational physical method to compute surface radiation from geostationary satellites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sengupta, Manajit; Dhere, Neelkanth G.; Wohlgemuth, John H.

We developed models to compute global horizontal irradiance (GHI) and direct normal irradiance (DNI) over the last three decades. These models can be classified as empirical or physical based on the approach. Empirical models relate ground-based observations with satellite measurements and use these relations to compute surface radiation. Physical models consider the physics behind the radiation received at the satellite and create retrievals to estimate surface radiation. Furthermore, while empirical methods have been traditionally used for computing surface radiation for the solar energy industry, the advent of faster computing has made operational physical models viable. The Global Solar Insolation Projectmore » (GSIP) is a physical model that computes DNI and GHI using the visible and infrared channel measurements from a weather satellite. GSIP uses a two-stage scheme that first retrieves cloud properties and uses those properties in a radiative transfer model to calculate GHI and DNI. Developed for polar orbiting satellites, GSIP has been adapted to NOAA's Geostationary Operation Environmental Satellite series and can run operationally at high spatial resolutions. Our method holds the possibility of creating high quality datasets of GHI and DNI for use by the solar energy industry. We present an outline of the methodology and results from running the model as well as a validation study using ground-based instruments.« less

Computers and the Internet: Tools for Youth Empowerment

PubMed Central

2005-01-01

Background Youth are often disenfranchised in their communities and may feel they have little voice. Since computers are an important aspect of youth culture, they may offer solutions to increasing youth participation in communities. Objective This qualitative case study investigated the perceptions of 19 (predominantly female) inner-city school youth about their use of computers and the Internet in a school-based community development project. Methods Youth working with public health nurses in a school-based community development project communicated with local community members using computer-mediated communication, surveyed peers online, built websites, searched for information online, and prepared project materials using computers and the Internet. Participant observation, semistructured interviews, analysis of online messages, and online- and paper-based surveys were used to gather data about youth’s and adults’ perceptions and use of the technologies. Constant comparison method and between-method triangulation were used in the analysis to satisfy the existence of themes. Results Not all youth were interested in working with computers. Some electronic messages from adults were perceived to be critical, and writing to adults was intimidating for some youth. In addition, technical problems were experienced. Despite these barriers, most youth perceived that using computers and the Internet reduced their anxiety concerning communication with adults, increased their control when dealing with adults, raised their perception of their social status, increased participation within the community, supported reflective thought, increased efficiency, and improved their access to resources. Conclusions Overall, youth perceived computers and the Internet to be empowering tools, and they should be encouraged to use such technology to support them in community initiatives. PMID:16403715

An approach to quantum-computational hydrologic inverse analysis

DOE PAGES

O'Malley, Daniel

2018-05-02

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

An approach to quantum-computational hydrologic inverse analysis.

PubMed

O'Malley, Daniel

2018-05-02

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealer to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.

Projected role of advanced computational aerodynamic methods at the Lockheed-Georgia company

NASA Technical Reports Server (NTRS)

Lores, M. E.

1978-01-01

Experience with advanced computational methods being used at the Lockheed-Georgia Company to aid in the evaluation and design of new and modified aircraft indicates that large and specialized computers will be needed to make advanced three-dimensional viscous aerodynamic computations practical. The Numerical Aerodynamic Simulation Facility should be used to provide a tool for designing better aerospace vehicles while at the same time reducing development costs by performing computations using Navier-Stokes equations solution algorithms and permitting less sophisticated but nevertheless complex calculations to be made efficiently. Configuration definition procedures and data output formats can probably best be defined in cooperation with industry, therefore, the computer should handle many remote terminals efficiently. The capability of transferring data to and from other computers needs to be provided. Because of the significant amount of input and output associated with 3-D viscous flow calculations and because of the exceedingly fast computation speed envisioned for the computer, special attention should be paid to providing rapid, diversified, and efficient input and output.

An approach to quantum-computational hydrologic inverse analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Malley, Daniel

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

Calculation of three-dimensional (3-D) internal flow by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1995-01-01

A method has been developed to accurately compute the viscous flow in three-dimensional (3-D) enclosures. This method is the 3-D extension of a two-dimensional (2-D) method developed for the calculation of flow over airfoils. The 2-D method has been tested extensively and has been shown to accurately reproduce experimental results. As in the 2-D method, the 3-D method provides for the non-iterative solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body fitted computational mesh incorporating a staggered grid methodology. In the staggered grid method, the three components of vorticity are defined at the centers of the computational cell sides, while the velocity components are defined as normal vectors at the centers of the computational cell faces. The staggered grid orientation provides for the accurate definition of the vorticity components at the vorticity locations, the divergence of vorticity at the mesh cell nodes and the conservation of mass at the mesh cell centers. The solution is obtained by utilizing a fractional step solution technique in the three coordinate directions. The boundary conditions for the vorticity and velocity are calculated implicitly as part of the solution. The method provides for the non-iterative solution of the flow field and satisfies the conservation of mass and divergence of vorticity to machine zero at each time step. To test the method, the calculation of simple driven cavity flows have been computed. The driven cavity flow is defined as the flow in an enclosure driven by a moving upper plate at the top of the enclosure. To demonstrate the ability of the method to predict the flow in arbitrary cavities, results will he shown for both cubic and curved cavities.

Terascale Optimal PDE Simulations (TOPS) Center

DOE Office of Scientific and Technical Information (OSTI.GOV)

Professor Olof B. Widlund

2007-07-09

Our work has focused on the development and analysis of domain decomposition algorithms for a variety of problems arising in continuum mechanics modeling. In particular, we have extended and analyzed FETI-DP and BDDC algorithms; these iterative solvers were first introduced and studied by Charbel Farhat and his collaborators, see [11, 45, 12], and by Clark Dohrmann of SANDIA, Albuquerque, see [43, 2, 1], respectively. These two closely related families of methods are of particular interest since they are used more extensively than other iterative substructuring methods to solve very large and difficult problems. Thus, the FETI algorithms are part ofmore » the SALINAS system developed by the SANDIA National Laboratories for very large scale computations, and as already noted, BDDC was first developed by a SANDIA scientist, Dr. Clark Dohrmann. The FETI algorithms are also making inroads in commercial engineering software systems. We also note that the analysis of these algorithms poses very real mathematical challenges. The success in developing this theory has, in several instances, led to significant improvements in the performance of these algorithms. A very desirable feature of these iterative substructuring and other domain decomposition algorithms is that they respect the memory hierarchy of modern parallel and distributed computing systems, which is essential for approaching peak floating point performance. The development of improved methods, together with more powerful computer systems, is making it possible to carry out simulations in three dimensions, with quite high resolution, relatively easily. This work is supported by high quality software systems, such as Argonne's PETSc library, which facilitates code development as well as the access to a variety of parallel and distributed computer systems. The success in finding scalable and robust domain decomposition algorithms for very large number of processors and very large finite element problems is, e.g., illustrated in [24, 25, 26]. This work is based on [29, 31]. Our work over these five and half years has, in our opinion, helped advance the knowledge of domain decomposition methods significantly. We see these methods as providing valuable alternatives to other iterative methods, in particular, those based on multi-grid. In our opinion, our accomplishments also match the goals of the TOPS project quite closely.« less

Calculation of laminar heating rates on three-dimensional configurations using the axisymmetric analogue

NASA Technical Reports Server (NTRS)

Hamilton, H. H., II

1980-01-01

A theoretical method was developed for computing approximate laminar heating rates on three dimensional configurations at angle of attack. The method is based on the axisymmetric analogue which is used to reduce the three dimensional boundary layer equations along surface streamlines to an equivalent axisymmetric form by using the metric coefficient which describes streamline divergence (or convergence). The method was coupled with a three dimensional inviscid flow field program for computing surface streamline paths, metric coefficients, and boundary layer edge conditions.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1982-01-01

The computational methods used to predict and optimize the thermal structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a different yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1983-01-01

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Workshop on Computational Turbulence Modeling

NASA Technical Reports Server (NTRS)

1993-01-01

This document contains presentations given at Workshop on Computational Turbulence Modeling held 15-16 Sep. 1993. The purpose of the meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Papers cover the following topics: turbulence modeling activities at the Center for Modeling of Turbulence and Transition (CMOTT); heat transfer and turbomachinery flow physics; aerothermochemistry and computational methods for space systems; computational fluid dynamics and the k-epsilon turbulence model; propulsion systems; and inlet, duct, and nozzle flow.

B-spline Method in Fluid Dynamics

NASA Technical Reports Server (NTRS)

Botella, Olivier; Shariff, Karim; Mansour, Nagi N. (Technical Monitor)

2001-01-01

B-spline functions are bases for piecewise polynomials that possess attractive properties for complex flow simulations : they have compact support, provide a straightforward handling of boundary conditions and grid nonuniformities, and yield numerical schemes with high resolving power, where the order of accuracy is a mere input parameter. This paper reviews the progress made on the development and application of B-spline numerical methods to computational fluid dynamics problems. Basic B-spline approximation properties is investigated, and their relationship with conventional numerical methods is reviewed. Some fundamental developments towards efficient complex geometry spline methods are covered, such as local interpolation methods, fast solution algorithms on cartesian grid, non-conformal block-structured discretization, formulation of spline bases of higher continuity over triangulation, and treatment of pressure oscillations in Navier-Stokes equations. Application of some of these techniques to the computation of viscous incompressible flows is presented.

Fracture Analysis of Vessels. Oak Ridge FAVOR, v06.1, Computer Code: Theory and Implementation of Algorithms, Methods, and Correlations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, P. T.; Dickson, T. L.; Yin, S.

The current regulations to insure that nuclear reactor pressure vessels (RPVs) maintain their structural integrity when subjected to transients such as pressurized thermal shock (PTS) events were derived from computational models developed in the early-to-mid 1980s. Since that time, advancements and refinements in relevant technologies that impact RPV integrity assessment have led to an effort by the NRC to re-evaluate its PTS regulations. Updated computational methodologies have been developed through interactions between experts in the relevant disciplines of thermal hydraulics, probabilistic risk assessment, materials embrittlement, fracture mechanics, and inspection (flaw characterization). Contributors to the development of these methodologies include themore » NRC staff, their contractors, and representatives from the nuclear industry. These updated methodologies have been integrated into the Fracture Analysis of Vessels -- Oak Ridge (FAVOR, v06.1) computer code developed for the NRC by the Heavy Section Steel Technology (HSST) program at Oak Ridge National Laboratory (ORNL). The FAVOR, v04.1, code represents the baseline NRC-selected applications tool for re-assessing the current PTS regulations. This report is intended to document the technical bases for the assumptions, algorithms, methods, and correlations employed in the development of the FAVOR, v06.1, code.« less

Assessment methodologies and statistical issues for computer-aided diagnosis of lung nodules in computed tomography: contemporary research topics relevant to the lung image database consortium.

PubMed

Dodd, Lori E; Wagner, Robert F; Armato, Samuel G; McNitt-Gray, Michael F; Beiden, Sergey; Chan, Heang-Ping; Gur, David; McLennan, Geoffrey; Metz, Charles E; Petrick, Nicholas; Sahiner, Berkman; Sayre, Jim

2004-04-01

Cancer of the lung and bronchus is the leading fatal malignancy in the United States. Five-year survival is low, but treatment of early stage disease considerably improves chances of survival. Advances in multidetector-row computed tomography technology provide detection of smaller lung nodules and offer a potentially effective screening tool. The large number of images per exam, however, requires considerable radiologist time for interpretation and is an impediment to clinical throughput. Thus, computer-aided diagnosis (CAD) methods are needed to assist radiologists with their decision making. To promote the development of CAD methods, the National Cancer Institute formed the Lung Image Database Consortium (LIDC). The LIDC is charged with developing the consensus and standards necessary to create an image database of multidetector-row computed tomography lung images as a resource for CAD researchers. To develop such a prospective database, its potential uses must be anticipated. The ultimate applications will influence the information that must be included along with the images, the relevant measures of algorithm performance, and the number of required images. In this article we outline assessment methodologies and statistical issues as they relate to several potential uses of the LIDC database. We review methods for performance assessment and discuss issues of defining "truth" as well as the complications that arise when truth information is not available. We also discuss issues about sizing and populating a database.

Methods for transition toward computer assisted cognitive examination.

PubMed

Jurica, P; Valenzi, S; Struzik, Z R; Cichocki, A

2015-01-01

We present a software framework which enables the extension of current methods for the assessment of cognitive fitness using recent technological advances. Screening for cognitive impairment is becoming more important as the world's population grows older. Current methods could be enhanced by use of computers. Introduction of new methods to clinics requires basic tools for collection and communication of collected data. To develop tools that, with minimal interference, offer new opportunities for the enhancement of the current interview based cognitive examinations. We suggest methods and discuss process by which established cognitive tests can be adapted for data collection through digitization by pen enabled tablets. We discuss a number of methods for evaluation of collected data, which promise to increase the resolution and objectivity of the common scoring strategy based on visual inspection. By involving computers in the roles of both instructing and scoring, we aim to increase the precision and reproducibility of cognitive examination. The tools provided in Python framework CogExTools available at http://bsp. brain.riken.jp/cogextools/ enable the design, application and evaluation of screening tests for assessment of cognitive impairment. The toolbox is a research platform; it represents a foundation for further collaborative development by the wider research community and enthusiasts. It is free to download and use, and open-source. We introduce a set of open-source tools that facilitate the design and development of new cognitive tests for modern technology. We provide these tools in order to enable the adaptation of technology for cognitive examination in clinical settings. The tools provide the first step in a possible transition toward standardized mental state examination using computers.