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Sample records for methods publications computer

  1. A computational method for drug repositioning using publicly available gene expression data

    PubMed Central

    2015-01-01

    Motivation The identification of new therapeutic uses of existing drugs, or drug repositioning, offers the possibility of faster drug development, reduced risk, lesser cost and shorter paths to approval. The advent of high throughput microarray technology has enabled comprehensive monitoring of transcriptional response associated with various disease states and drug treatments. This data can be used to characterize disease and drug effects and thereby give a measure of the association between a given drug and a disease. Several computational methods have been proposed in the literature that make use of publicly available transcriptional data to reposition drugs against diseases. Method In this work, we carry out a data mining process using publicly available gene expression data sets associated with a few diseases and drugs, to identify the existing drugs that can be used to treat genes causing lung cancer and breast cancer. Results Three strong candidates for repurposing have been identified- Letrozole and GDC-0941 against lung cancer, and Ribavirin against breast cancer. Letrozole and GDC-0941 are drugs currently used in breast cancer treatment and Ribavirin is used in the treatment of Hepatitis C. PMID:26679199

  2. Exploration of Preterm Birth Rates Using the Public Health Exposome Database and Computational Analysis Methods

    PubMed Central

    Kershenbaum, Anne D.; Langston, Michael A.; Levine, Robert S.; Saxton, Arnold M.; Oyana, Tonny J.; Kilbourne, Barbara J.; Rogers, Gary L.; Gittner, Lisaann S.; Baktash, Suzanne H.; Matthews-Juarez, Patricia; Juarez, Paul D.

    2014-01-01

    Recent advances in informatics technology has made it possible to integrate, manipulate, and analyze variables from a wide range of scientific disciplines allowing for the examination of complex social problems such as health disparities. This study used 589 county-level variables to identify and compare geographical variation of high and low preterm birth rates. Data were collected from a number of publically available sources, bringing together natality outcomes with attributes of the natural, built, social, and policy environments. Singleton early premature county birth rate, in counties with population size over 100,000 persons provided the dependent variable. Graph theoretical techniques were used to identify a wide range of predictor variables from various domains, including black proportion, obesity and diabetes, sexually transmitted infection rates, mother’s age, income, marriage rates, pollution and temperature among others. Dense subgraphs (paracliques) representing groups of highly correlated variables were resolved into latent factors, which were then used to build a regression model explaining prematurity (R-squared = 76.7%). Two lists of counties with large positive and large negative residuals, indicating unusual prematurity rates given their circumstances, may serve as a starting point for ways to intervene and reduce health disparities for preterm births. PMID:25464130

  3. BPO crude oil analysis data base user`s guide: Methods, publications, computer access correlations, uses, availability

    SciTech Connect

    Sellers, C.; Fox, B.; Paulz, J.

    1996-03-01

    The Department of Energy (DOE) has one of the largest and most complete collections of information on crude oil composition that is available to the public. The computer program that manages this database of crude oil analyses has recently been rewritten to allow easier access to this information. This report describes how the new system can be accessed and how the information contained in the Crude Oil Analysis Data Bank can be obtained.

  4. Computer Science and Technology Publications. NBS Publications List 84.

    ERIC Educational Resources Information Center

    National Bureau of Standards (DOC), Washington, DC. Inst. for Computer Sciences and Technology.

    This bibliography lists publications of the Institute for Computer Sciences and Technology of the National Bureau of Standards. Publications are listed by subject in the areas of computer security, computer networking, and automation technology. Sections list publications of: (1) current Federal Information Processing Standards; (2) computer…

  5. Computers in Public Broadcasting: Who, What, Where.

    ERIC Educational Resources Information Center

    Yousuf, M. Osman

    This handbook offers guidance to public broadcasting managers on computer acquisition and development activities. Based on a 1981 survey of planned and current computer uses conducted by the Corporation for Public Broadcasting (CPB) Information Clearinghouse, computer systems in public radio and television broadcasting stations are listed by…

  6. Computational Methods for Crashworthiness

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Carden, Huey D. (Compiler)

    1993-01-01

    Presentations and discussions from the joint UVA/NASA Workshop on Computational Methods for Crashworthiness held at Langley Research Center on 2-3 Sep. 1992 are included. The presentations addressed activities in the area of impact dynamics. Workshop attendees represented NASA, the Army and Air Force, the Lawrence Livermore and Sandia National Laboratories, the aircraft and automotive industries, and academia. The workshop objectives were to assess the state-of-technology in the numerical simulation of crash and to provide guidelines for future research.

  7. Publication Bias in Methodological Computational Research

    PubMed Central

    Boulesteix, Anne-Laure; Stierle, Veronika; Hapfelmeier, Alexander

    2015-01-01

    The problem of publication bias has long been discussed in research fields such as medicine. There is a consensus that publication bias is a reality and that solutions should be found to reduce it. In methodological computational research, including cancer informatics, publication bias may also be at work. The publication of negative research findings is certainly also a relevant issue, but has attracted very little attention to date. The present paper aims at providing a new formal framework to describe the notion of publication bias in the context of methodological computational research, facilitate and stimulate discussions on this topic, and increase awareness in the scientific community. We report an exemplary pilot study that aims at gaining experiences with the collection and analysis of information on unpublished research efforts with respect to publication bias, and we outline the encountered problems. Based on these experiences, we try to formalize the notion of publication bias. PMID:26508827

  8. Public Databases Supporting Computational Toxicology

    EPA Science Inventory

    A major goal of the emerging field of computational toxicology is the development of screening-level models that predict potential toxicity of chemicals from a combination of mechanistic in vitro assay data and chemical structure descriptors. In order to build these models, resea...

  9. Protecting Public-Access Computers in Libraries.

    ERIC Educational Resources Information Center

    King, Monica

    1999-01-01

    Describes one public library's development of a computer-security plan, along with helpful products used. Discussion includes Internet policy, physical protection of hardware, basic protection of the operating system and software on the network, browser dilemmas and maintenance, creating clear intuitive interface, and administering fair use and…

  10. 47 CFR 80.771 - Method of computing coverage.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Method of computing coverage. 80.771 Section 80... STATIONS IN THE MARITIME SERVICES Standards for Computing Public Coast Station VHF Coverage § 80.771 Method of computing coverage. Compute the +17 dBu contour as follows: (a) Determine the effective...

  11. 47 CFR 80.771 - Method of computing coverage.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Method of computing coverage. 80.771 Section 80... STATIONS IN THE MARITIME SERVICES Standards for Computing Public Coast Station VHF Coverage § 80.771 Method of computing coverage. Compute the +17 dBu contour as follows: (a) Determine the effective...

  12. Computational Methods Development at Ames

    NASA Technical Reports Server (NTRS)

    Kwak, Dochan; Smith, Charles A. (Technical Monitor)

    1998-01-01

    This viewgraph presentation outlines the development at Ames Research Center of advanced computational methods to provide appropriate fidelity computational analysis/design capabilities. Current thrusts of the Ames research include: 1) methods to enhance/accelerate viscous flow simulation procedures, and the development of hybrid/polyhedral-grid procedures for viscous flow; 2) the development of real time transonic flow simulation procedures for a production wind tunnel, and intelligent data management technology; and 3) the validation of methods and the flow physics study gives historical precedents to above research, and speculates on its future course.

  13. Computational Modeling Method for Superalloys

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Noebe, Ronald D.; Gayda, John

    1997-01-01

    Computer modeling based on theoretical quantum techniques has been largely inefficient due to limitations on the methods or the computer needs associated with such calculations, thus perpetuating the notion that little help can be expected from computer simulations for the atomistic design of new materials. In a major effort to overcome these limitations and to provide a tool for efficiently assisting in the development of new alloys, we developed the BFS method for alloys, which together with the experimental results from previous and current research that validate its use for large-scale simulations, provide the ideal grounds for developing a computationally economical and physically sound procedure for supplementing the experimental work at great cost and time savings.

  14. Closing the "Digital Divide": Building a Public Computing Center

    ERIC Educational Resources Information Center

    Krebeck, Aaron

    2010-01-01

    The public computing center offers an economical and environmentally friendly model for providing additional public computer access when and where it is needed. Though not intended to be a replacement for a full-service branch, the public computing center does offer a budget-friendly option for quickly expanding high-demand services into the…

  15. 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

  16. Methods for computing color anaglyphs

    NASA Astrophysics Data System (ADS)

    McAllister, David F.; Zhou, Ya; Sullivan, Sophia

    2010-02-01

    A new computation technique is presented for calculating pixel colors in anaglyph images. The method depends upon knowing the RGB spectral distributions of the display device and the transmission functions of the filters in the viewing glasses. It requires the solution of a nonlinear least-squares program for each pixel in a stereo pair and is based on minimizing color distances in the CIEL*a*b* uniform color space. The method is compared with several techniques for computing anaglyphs including approximation in CIE space using the Euclidean and Uniform metrics, the Photoshop method and its variants, and a method proposed by Peter Wimmer. We also discuss the methods of desaturation and gamma correction for reducing retinal rivalry.

  17. 77 FR 4568 - Annual Computational Science Symposium; Public Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-30

    ... HUMAN SERVICES Food and Drug Administration Annual Computational Science Symposium; Public Conference... announcing a public conference entitled ``The FDA/PhUSE Annual Computational Science Symposium.'' The purpose... computational science. At the conference, which will bring together FDA, industry, and academia, FDA will...

  18. Computational methods in tokamak transport

    SciTech Connect

    Houlberg, W.A.; Attenberger, S.E.; Lao, L.L.

    1982-06-01

    A variety of numerical methods for solving the time-dependent fluid transport equations for tokamak plasmas is presented. Among the problems discussed are techniques for solving the sometimes very stiff parabolic equations for particle and energy flow, treating convection-dominated energy transport that leads to large cell Reynolds numbers, optimizing the flow of a code to reduce the time spent updating the particle and energy source terms, coupling the one-dimensional (1-D) flux-surface-averaged fluid transport equations to solutions of the 2-D Grad-Shafranov equation for the plasma geometry, handling extremely fast transient problems such as internal MHD disruptions and pellet injection, and processing the output to summarize the physics parameters over the potential operating regime for reactors. Emphasis is placed on computational efficiency in both computer time and storage requirements.

  19. Computational methods for stealth design

    SciTech Connect

    Cable, V.P. )

    1992-08-01

    A review is presented of the utilization of computer models for stealth design toward the ultimate goal of designing and fielding an aircraft that remains undetected at any altitude and any range. Attention is given to the advancements achieved in computational tools and their utilization. Consideration is given to the development of supercomputers for large-scale scientific computing and the development of high-fidelity, 3D, radar-signature-prediction tools for complex shapes with nonmetallic and radar-penetrable materials.

  20. Optimization Methods for Computer Animation.

    ERIC Educational Resources Information Center

    Donkin, John Caldwell

    Emphasizing the importance of economy and efficiency in the production of computer animation, this master's thesis outlines methodologies that can be used to develop animated sequences with the highest quality images for the least expenditure. It is assumed that if computer animators are to be able to fully exploit the available resources, they…

  1. Systems Science Methods in Public Health

    PubMed Central

    Luke, Douglas A.; Stamatakis, Katherine A.

    2012-01-01

    Complex systems abound in public health. Complex systems are made up of heterogeneous elements that interact with one another, have emergent properties that are not explained by understanding the individual elements of the system, persist over time and adapt to changing circumstances. Public health is starting to use results from systems science studies to shape practice and policy, for example in preparing for global pandemics. However, systems science study designs and analytic methods remain underutilized and are not widely featured in public health curricula or training. In this review we present an argument for the utility of systems science methods in public health, introduce three important systems science methods (system dynamics, network analysis, and agent-based modeling), and provide three case studies where these methods have been used to answer important public health science questions in the areas of infectious disease, tobacco control, and obesity. PMID:22224885

  2. How You Can Protect Public Access Computers "and" Their Users

    ERIC Educational Resources Information Center

    Huang, Phil

    2007-01-01

    By providing the public with online computing facilities, librarians make available a world of information resources beyond their traditional print materials. Internet-connected computers in libraries greatly enhance the opportunity for patrons to enjoy the benefits of the digital age. Unfortunately, as hackers become more sophisticated and…

  3. Computational methods for probability of instability calculations

    NASA Technical Reports Server (NTRS)

    Wu, Y.-T.; Burnside, O. H.

    1990-01-01

    This paper summarizes the development of the methods and a computer program to compute the probability of instability of a dynamic system than can be represented by a system of second-order ordinary linear differential equations. Two instability criteria based upon the roots of the characteristics equation or Routh-Hurwitz test functions are investigated. Computational methods based on system reliability analysis methods and importance sampling concepts are proposed to perform efficient probabilistic analysis. Numerical examples are provided to demonstrate the methods.

  4. Wildlife software: procedures for publication of computer software

    USGS Publications Warehouse

    Samuel, M.D.

    1990-01-01

    Computers and computer software have become an integral part of the practice of wildlife science. Computers now play an important role in teaching, research, and management applications. Because of the specialized nature of wildlife problems, specific computer software is usually required to address a given problem (e.g., home range analysis). This type of software is not usually available from commercial vendors and therefore must be developed by those wildlife professionals with particular skill in computer programming. Current journal publication practices generally prevent a detailed description of computer software associated with new techniques. In addition, peer review of journal articles does not usually include a review of associated computer software. Thus, many wildlife professionals are usually unaware of computer software that would meet their needs or of major improvements in software they commonly use. Indeed most users of wildlife software learn of new programs or important changes only by word of mouth.

  5. Computer Methods in EDG Education.

    ERIC Educational Resources Information Center

    Mabrey, Robert L.

    1999-01-01

    Presents several computer-related techniques that encourage engineering design graphics (EDG) students to develop knowledge at levels 4 and 5 of Bloom's taxonomy. Contrasts this approach to extend the educational process with the development of training skills at knowledge levels 2 and 3, which are often the sole basis for EDG instruction.…

  6. The Public-Access Computer Systems Forum: A Computer Conference on BITNET.

    ERIC Educational Resources Information Center

    Bailey, Charles W., Jr.

    1990-01-01

    Describes the Public Access Computer Systems Forum (PACS), a computer conference that deals with all computer systems that libraries make available to patrons. Areas discussed include how to subscribe to PACS, message distribution and retrieval capabilities, subscriber lists, documentation, generic list server capabilities, and other…

  7. A Computer-Assisted Instruction in Teaching Abstract Statistics to Public Affairs Undergraduates

    ERIC Educational Resources Information Center

    Ozturk, Ali Osman

    2012-01-01

    This article attempts to demonstrate the applicability of a computer-assisted instruction supported with simulated data in teaching abstract statistical concepts to political science and public affairs students in an introductory research methods course. The software is called the Elaboration Model Computer Exercise (EMCE) in that it takes a great…

  8. Multiprocessor computer overset grid method and apparatus

    DOEpatents

    Barnette, Daniel W.; Ober, Curtis C.

    2003-01-01

    A multiprocessor computer overset grid method and apparatus comprises associating points in each overset grid with processors and using mapped interpolation transformations to communicate intermediate values between processors assigned base and target points of the interpolation transformations. The method allows a multiprocessor computer to operate with effective load balance on overset grid applications.

  9. Computational methods for reentry trajectories

    NASA Astrophysics Data System (ADS)

    Anselmo, L.; Pardini, C.

    The trajectory modeling of uncontrolled satellites close to reentry in the atmosphere is still a challenging activity. Tracking data may be sparse and not particularly accurate, the objects complicate shape and unknown attitude evolution may render quite tricky the aerodynamic computations and, last but not the least, the models used to predict the air density at the altitudes of interest, as a function of solar and geomagnetic activity, are affected by significant uncertainties. This paper presents the techniques developed and the experience matured in the field at ISTI (formerly CNUCE), specifically in support of the reentry predictions of risky space objects carried out for the Italian civil protection authorities. In these cases, an appropriate management of the intrinsic uncertainties of the problem is critical for the dissemination of the results, avoiding, as much as possible, misunderstandings and unjustified alarm.

  10. Computational Methods for Biomolecular Electrostatics

    PubMed Central

    Dong, Feng; Olsen, Brett; Baker, Nathan A.

    2008-01-01

    An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions. PMID:17964951

  11. Computational and theoretical methods for protein folding.

    PubMed

    Compiani, Mario; Capriotti, Emidio

    2013-12-01

    A computational approach is essential whenever the complexity of the process under study is such that direct theoretical or experimental approaches are not viable. This is the case for protein folding, for which a significant amount of data are being collected. This paper reports on the essential role of in silico methods and the unprecedented interplay of computational and theoretical approaches, which is a defining point of the interdisciplinary investigations of the protein folding process. Besides giving an overview of the available computational methods and tools, we argue that computation plays not merely an ancillary role but has a more constructive function in that computational work may precede theory and experiments. More precisely, computation can provide the primary conceptual clues to inspire subsequent theoretical and experimental work even in a case where no preexisting evidence or theoretical frameworks are available. This is cogently manifested in the application of machine learning methods to come to grips with the folding dynamics. These close relationships suggested complementing the review of computational methods within the appropriate theoretical context to provide a self-contained outlook of the basic concepts that have converged into a unified description of folding and have grown in a synergic relationship with their computational counterpart. Finally, the advantages and limitations of current computational methodologies are discussed to show how the smart analysis of large amounts of data and the development of more effective algorithms can improve our understanding of protein folding.

  12. Funding Public Computing Centers: Balancing Broadband Availability and Expected Demand

    ERIC Educational Resources Information Center

    Jayakar, Krishna; Park, Eun-A

    2012-01-01

    The National Broadband Plan (NBP) recently announced by the Federal Communication Commission visualizes a significantly enhanced commitment to public computing centers (PCCs) as an element of the Commission's plans for promoting broadband availability. In parallel, the National Telecommunications and Information Administration (NTIA) has…

  13. Computational Methods for Ideal Magnetohydrodynamics

    NASA Astrophysics Data System (ADS)

    Kercher, Andrew D.

    Numerical schemes for the ideal magnetohydrodynamics (MHD) are widely used for modeling space weather and astrophysical flows. They are designed to resolve the different waves that propagate through a magnetohydro fluid, namely, the fast, Alfven, slow, and entropy waves. Numerical schemes for ideal magnetohydrodynamics that are based on the standard finite volume (FV) discretization exhibit pseudo-convergence in which non-regular waves no longer exist only after heavy grid refinement. A method is described for obtaining solutions for coplanar and near coplanar cases that consist of only regular waves, independent of grid refinement. The method, referred to as Compound Wave Modification (CWM), involves removing the flux associated with non-regular structures and can be used for simulations in two- and three-dimensions because it does not require explicitly tracking an Alfven wave. For a near coplanar case, and for grids with 213 points or less, we find root-mean-square-errors (RMSEs) that are as much as 6 times smaller. For the coplanar case, in which non-regular structures will exist at all levels of grid refinement for standard FV schemes, the RMSE is as much as 25 times smaller. A multidimensional ideal MHD code has been implemented for simulations on graphics processing units (GPUs). Performance measurements were conducted for both the NVIDIA GeForce GTX Titan and Intel Xeon E5645 processor. The GPU is shown to perform one to two orders of magnitude greater than the CPU when using a single core, and two to three times greater than when run in parallel with OpenMP. Performance comparisons are made for two methods of storing data on the GPU. The first approach stores data as an Array of Structures (AoS), e.g., a point coordinate array of size 3 x n is iterated over. The second approach stores data as a Structure of Arrays (SoA), e.g. three separate arrays of size n are iterated over simultaneously. For an AoS, coalescing does not occur, reducing memory efficiency

  14. Simulation methods for advanced scientific computing

    SciTech Connect

    Booth, T.E.; Carlson, J.A.; Forster, R.A.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of the project was to create effective new algorithms for solving N-body problems by computer simulation. The authors concentrated on developing advanced classical and quantum Monte Carlo techniques. For simulations of phase transitions in classical systems, they produced a framework generalizing the famous Swendsen-Wang cluster algorithms for Ising and Potts models. For spin-glass-like problems, they demonstrated the effectiveness of an extension of the multicanonical method for the two-dimensional, random bond Ising model. For quantum mechanical systems, they generated a new method to compute the ground-state energy of systems of interacting electrons. They also improved methods to compute excited states when the diffusion quantum Monte Carlo method is used and to compute longer time dynamics when the stationary phase quantum Monte Carlo method is used.

  15. A Computer-Assisted Method of Counseling.

    ERIC Educational Resources Information Center

    Parente, Frederick J.; And Others

    1981-01-01

    A computer-assisted method of counseling was applied to cases of stuttering and hypertension. Although both symptom complexes had previously resisted therapy, results indicated that computer-assisted counseling eliminated the stuttering and reduced diastolic blood pressure to normal levels. (Author)

  16. Spectral Methods for Computational Fluid Dynamics

    NASA Technical Reports Server (NTRS)

    Zang, T. A.; Streett, C. L.; Hussaini, M. Y.

    1994-01-01

    As a tool for large-scale computations in fluid dynamics, spectral methods were prophesized in 1944, born in 1954, virtually buried in the mid-1960's, resurrected in 1969, evangalized in the 1970's, and catholicized in the 1980's. The use of spectral methods for meteorological problems was proposed by Blinova in 1944 and the first numerical computations were conducted by Silberman (1954). By the early 1960's computers had achieved sufficient power to permit calculations with hundreds of degrees of freedom. For problems of this size the traditional way of computing the nonlinear terms in spectral methods was expensive compared with finite-difference methods. Consequently, spectral methods fell out of favor. The expense of computing nonlinear terms remained a severe drawback until Orszag (1969) and Eliasen, Machenauer, and Rasmussen (1970) developed the transform methods that still form the backbone of many large-scale spectral computations. The original proselytes of spectral methods were meteorologists involved in global weather modeling and fluid dynamicists investigating isotropic turbulence. The converts who were inspired by the successes of these pioneers remained, for the most part, confined to these and closely related fields throughout the 1970's. During that decade spectral methods appeared to be well-suited only for problems governed by ordinary diSerential eqllations or by partial differential equations with periodic boundary conditions. And, of course, the solution itself needed to be smooth. Some of the obstacles to wider application of spectral methods were: (1) poor resolution of discontinuous solutions; (2) inefficient implementation of implicit methods; and (3) drastic geometric constraints. All of these barriers have undergone some erosion during the 1980's, particularly the latter two. As a result, the applicability and appeal of spectral methods for computational fluid dynamics has broadened considerably. The motivation for the use of spectral

  17. How the role of computing is driving new genetics' public policy.

    PubMed

    Marturano, Antonio; Chadwick, Ruth

    2004-01-01

    In this paper we will examine some ethical aspects of the role that computers and computing increasingly play in new genetics. Our claim is that there is no new genetics without computer science. Computer science is important for the new genetics on two levels: (1) from a theoretical perspective, and (2) from the point of view of geneticists practice. With respect to (1), the new genetics is fully impregnate with concepts that are basic for computer science. Regarding (2), recent developments in the Human Genome Project (HGP) have shown that computers shape the practices of molecular genetics; an important example is the Shotgun Method's contribution to accelerating the mapping of the human genome. A new challenge to the HGP is provided by the Open Source Philosophy (I computer science), which is another way computer technologies now influence the shaping of public policy debates involving genomics. PMID:16969960

  18. How the role of computing is driving new genetics' public policy.

    PubMed

    Marturano, Antonio; Chadwick, Ruth

    2004-01-01

    In this paper we will examine some ethical aspects of the role that computers and computing increasingly play in new genetics. Our claim is that there is no new genetics without computer science. Computer science is important for the new genetics on two levels: (1) from a theoretical perspective, and (2) from the point of view of geneticists practice. With respect to (1), the new genetics is fully impregnate with concepts that are basic for computer science. Regarding (2), recent developments in the Human Genome Project (HGP) have shown that computers shape the practices of molecular genetics; an important example is the Shotgun Method's contribution to accelerating the mapping of the human genome. A new challenge to the HGP is provided by the Open Source Philosophy (I computer science), which is another way computer technologies now influence the shaping of public policy debates involving genomics.

  19. Method for Tracking Core-Contributed Publications

    PubMed Central

    Loomis, Cynthia A.; Curchoe, Carol Lynn

    2012-01-01

    Accurately tracking core-contributed publications is an important and often difficult task. Many core laboratories are supported by programmatic grants (such as Cancer Center Support Grant and Clinical Translational Science Awards) or generate data with instruments funded through S10, Major Research Instrumentation, or other granting mechanisms. Core laboratories provide their research communities with state-of-the-art instrumentation and expertise, elevating research. It is crucial to demonstrate the specific projects that have benefited from core services and expertise. We discuss here the method we developed for tracking core contributed publications. PMID:23204927

  20. Computational Chemistry Using Modern Electronic Structure Methods

    ERIC Educational Resources Information Center

    Bell, Stephen; Dines, Trevor J.; Chowdhry, Babur Z.; Withnall, Robert

    2007-01-01

    Various modern electronic structure methods are now days used to teach computational chemistry to undergraduate students. Such quantum calculations can now be easily used even for large size molecules.

  1. Computational Methods Applied to Rational Drug Design

    PubMed Central

    Ramírez, David

    2016-01-01

    Due to the synergic relationship between medical chemistry, bioinformatics and molecular simulation, the development of new accurate computational tools for small molecules drug design has been rising over the last years. The main result is the increased number of publications where computational techniques such as molecular docking, de novo design as well as virtual screening have been used to estimate the binding mode, site and energy of novel small molecules. In this work I review some tools, which enable the study of biological systems at the atomistic level, providing relevant information and thereby, enhancing the process of rational drug design. PMID:27708723

  2. 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.

  3. Assessing public perceptions of computer-based models.

    PubMed

    Cockerill, Kristan; Tidwell, Vincent; Passell, Howard

    2004-11-01

    Although there is a solid body of research on both collaborative decision-making and on processes using models, there is little research on general public attitudes about models and their use in making policy decisions. This project assessed opinions about computer models in general and attitudes about a specific model being used in water planning in the Middle Rio Grande Region of New Mexico, United States. More than 1000 individuals were surveyed about their perceptions of computer-based models in general. Additionally, more than 150 attendees at public meetings related to the Middle Rio Grande planning effort were surveyed about their perceptions of the specific Rio Grande-based model. The results reveal that the majority of respondents are confident in their ability to understand models and most believe that models are appropriate tools for education and for making policy decisions. Responses also reveal that trust in who develops a model is a key issue related to public support. Regarding the specific model highlighted in this project, the public revealed tremendous support for its usefulness as a public engagement tool as well as a tool to assist decision-makers in regional water planning. Although indicating broad support for models, the results do raise questions about the role of trust in using models in contentious decisions. PMID:15633034

  4. [Computer-assisted control of a public health inventory].

    PubMed

    Beckmann, W; Dörr, M; Höhmann, J

    1989-04-01

    To cope with its tasks more efficiently, the Public Health Office of the "Märkische Kreis" in 1985 installed an information system on the basis of electronic data processing, the so-called "hygiene inventory". Initially, the introduction of this system into the local Public Health Office is described. The structure and organization of the programme and its performance are then discussed and exemplified by the control of drinking water supply plants. The disadvantages of computer use are by no means overlooked. The latter include the necessity to initially put in a considerable number of data and to constantly store new results, initial acceptance problems and the poor autonomy of the system. The most important advantages of computer-aided processing are optimum evaluation possibilities, centralised scheduling, automated production of letters, efficient drafting of the annual health report and the possibility of exchanging data media. PMID:2525684

  5. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures for submission...

  6. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures for submission...

  7. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures for submission...

  8. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... PROCEDURES GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures...

  9. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures for submission...

  10. Computational Methods for Rough Classification and Discovery.

    ERIC Educational Resources Information Center

    Bell, D. A.; Guan, J. W.

    1998-01-01

    Rough set theory is a new mathematical tool to deal with vagueness and uncertainty. Computational methods are presented for using rough sets to identify classes in datasets, finding dependencies in relations, and discovering rules which are hidden in databases. The methods are illustrated with a running example from a database of car test results.…

  11. Updated Panel-Method Computer Program

    NASA Technical Reports Server (NTRS)

    Ashby, Dale L.

    1995-01-01

    Panel code PMARC_12 (Panel Method Ames Research Center, version 12) computes potential-flow fields around complex three-dimensional bodies such as complete aircraft models. Contains several advanced features, including internal mathematical modeling of flow, time-stepping wake model for simulating either steady or unsteady motions, capability for Trefftz computation of drag induced by plane, and capability for computation of off-body and on-body streamlines, and capability of computation of boundary-layer parameters by use of two-dimensional integral boundary-layer method along surface streamlines. Investigators interested in visual representations of phenomena, may want to consider obtaining program GVS (ARC-13361), General visualization System. GVS is Silicon Graphics IRIS program created to support scientific-visualization needs of PMARC_12. GVS available separately from COSMIC. PMARC_12 written in standard FORTRAN 77, with exception of NAMELIST extension used for input.

  12. 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

  13. Method and system for benchmarking computers

    DOEpatents

    Gustafson, John L.

    1993-09-14

    A testing system and method for benchmarking computer systems. The system includes a store containing a scalable set of tasks to be performed to produce a solution in ever-increasing degrees of resolution as a larger number of the tasks are performed. A timing and control module allots to each computer a fixed benchmarking interval in which to perform the stored tasks. Means are provided for determining, after completion of the benchmarking interval, the degree of progress through the scalable set of tasks and for producing a benchmarking rating relating to the degree of progress for each computer.

  14. ADVANCED COMPUTATIONAL METHODS IN DOSE MODELING: APPLICATION OF COMPUTATIONAL BIOPHYSICAL TRANSPORT, COMPUTATIONAL CHEMISTRY, AND COMPUTATIONAL BIOLOGY

    EPA Science Inventory

    Computational toxicology (CompTox) leverages the significant gains in computing power and computational techniques (e.g., numerical approaches, structure-activity relationships, bioinformatics) realized over the last few years, thereby reducing costs and increasing efficiency i...

  15. Leg stiffness measures depend on computational method.

    PubMed

    Hébert-Losier, Kim; Eriksson, Anders

    2014-01-01

    Leg stiffness is often computed from ground reaction force (GRF) registrations of vertical hops to estimate the force-resisting capacity of the lower-extremity during ground contact, with leg stiffness values incorporated in a spring-mass model to describe human motion. Individual biomechanical characteristics, including leg stiffness, were investigated in 40 healthy males. Our aim is to report and discuss the use of 13 different computational methods for evaluating leg stiffness from a double-legged repetitive hopping task, using only GRF registrations. Four approximations for the velocity integration constant were combined with three mathematical expressions, giving 12 methods for computing stiffness using double integrations. One frequency-based method that considered ground contact times was also trialled. The 13 methods thus defined were used to compute stiffness in four extreme cases, which were the stiffest, and most compliant, consistent and variable subjects. All methods provided different stiffness measures for a given individual, but the between-method variations in stiffness were consistent across the four atypical subjects. The frequency-based method apparently overestimated the actual stiffness values, whereas double integrations' measures were more consistent. In double integrations, the choice of the integration constant and mathematical expression considerably affected stiffness values, as variations during hopping were more or less emphasized. Stating a zero centre of mass position at take-off gave more consistent results, and taking a weighted-average of the force or displacement curve was more forgiving to variations in performance. In any case, stiffness values should always be accompanied by a detailed description of their evaluation methods, as our results demonstrated that computational methods affect calculated stiffness. PMID:24188972

  16. Geometric methods in computational fluid dynamics. [turbomachinery

    NASA Technical Reports Server (NTRS)

    Eiseman, P. R.

    1980-01-01

    General methods for the construction of geometric computational fluid dynamic algorithms are presented which simulate a variety of flow fields in various nontrivial regions. Included are: basic developments with tensors; various forms for the equations of motion; generalized numerical methods and boundary conditions; and methods for mesh generation to meet the strong geometric constraints of turbomachines. Coordinate generation is shown generally to yield mesh descriptions from one or more transformations that are smoothly joined together to form a composite mesh.

  17. Effectiveness of computational methods in haplotype prediction.

    PubMed

    Xu, Chun-Fang; Lewis, Karen; Cantone, Kathryn L; Khan, Parveen; Donnelly, Christine; White, Nicola; Crocker, Nikki; Boyd, Pete R; Zaykin, Dmitri V; Purvis, Ian J

    2002-02-01

    Haplotype analysis has been used for narrowing down the location of disease-susceptibility genes and for investigating many population processes. Computational algorithms have been developed to estimate haplotype frequencies and to predict haplotype phases from genotype data for unrelated individuals. However, the accuracy of such computational methods needs to be evaluated before their applications can be advocated. We have experimentally determined the haplotypes at two loci, the N-acetyltransferase 2 gene ( NAT2, 850 bp, n=81) and a 140-kb region on chromosome X ( n=77), each consisting of five single nucleotide polymorphisms (SNPs). We empirically evaluated and compared the accuracy of the subtraction method, the expectation-maximization (EM) method, and the PHASE method in haplotype frequency estimation and in haplotype phase prediction. Where there was near complete linkage disequilibrium (LD) between SNPs (the NAT2 gene), all three methods provided effective and accurate estimates for haplotype frequencies and individual haplotype phases. For a genomic region in which marked LD was not maintained (the chromosome X locus), the computational methods were adequate in estimating overall haplotype frequencies. However, none of the methods was accurate in predicting individual haplotype phases. The EM and the PHASE methods provided better estimates for overall haplotype frequencies than the subtraction method for both genomic regions.

  18. Semiempirical methods for computing turbulent flows

    NASA Astrophysics Data System (ADS)

    Belov, I. A.; Ginzburg, I. P.

    1986-01-01

    Two semiempirical theories which provide a basis for determining the turbulent friction and heat exchange near a wall are presented: (1) the Prandtl-Karman theory, and (2) the theory utilizing an equation for the energy of turbulent pulsations. A comparison is made between exact numerical methods and approximate integral methods for computing the turbulent boundary layers in the presence of pressure, blowing, or suction gradients. Using the turbulent flow around a plate as an example, it is shown that, when computing turbulent flows with external turbulence, it is preferable to construct a turbulence model based on the equation for energy of turbulent pulsations.

  19. Universal method for computation of electrostatic potentials.

    PubMed

    Sundholm, D

    2005-05-15

    A computational approach to determine electrostatic interaction and gravitational potentials by performing direct numerical integration is presented. The potential is expanded using finite-element functions of arbitrary order. The method does not involve any solutions of systems of linear equations. The potential is instead obtained as a sum of differential contributions. Thus, no boundary conditions for the potential are needed. It is computationally efficient and well suited for parallel computers, since the innermost loops constitute matrix multiplications and the outer ones can be used as parallel indices. Without using prescreening or other computational tricks to speed up the calculation, the algorithm scales as N4/3 where N denotes the grid size.

  20. Computational Methods for Failure Analysis and Life Prediction

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Harris, Charles E. (Compiler); Housner, Jerrold M. (Compiler); Hopkins, Dale A. (Compiler)

    1993-01-01

    This conference publication contains the presentations and discussions from the joint UVA/NASA Workshop on Computational Methods for Failure Analysis and Life Prediction held at NASA Langley Research Center 14-15 Oct. 1992. The presentations focused on damage failure and life predictions of polymer-matrix composite structures. They covered some of the research activities at NASA Langley, NASA Lewis, Southwest Research Institute, industry, and universities. Both airframes and propulsion systems were considered.

  1. Applying Human Computation Methods to Information Science

    ERIC Educational Resources Information Center

    Harris, Christopher Glenn

    2013-01-01

    Human Computation methods such as crowdsourcing and games with a purpose (GWAP) have each recently drawn considerable attention for their ability to synergize the strengths of people and technology to accomplish tasks that are challenging for either to do well alone. Despite this increased attention, much of this transformation has been focused on…

  2. Computationally efficient method to construct scar functions

    NASA Astrophysics Data System (ADS)

    Revuelta, F.; Vergini, E. G.; Benito, R. M.; Borondo, F.

    2012-02-01

    The performance of a simple method [E. L. Sibert III, E. Vergini, R. M. Benito, and F. Borondo, New J. Phys.NJOPFM1367-263010.1088/1367-2630/10/5/053016 10, 053016 (2008)] to efficiently compute scar functions along unstable periodic orbits with complicated trajectories in configuration space is discussed, using a classically chaotic two-dimensional quartic oscillator as an illustration.

  3. Computational Methods for Structural Mechanics and Dynamics

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

    Topics addressed include: transient dynamics; transient finite element method; transient analysis in impact and crash dynamic studies; multibody computer codes; dynamic analysis of space structures; multibody mechanics and manipulators; spatial and coplanar linkage systems; flexible body simulation; multibody dynamics; dynamical systems; and nonlinear characteristics of joints.

  4. Public computer surfaces are reservoirs for methicillin-resistant staphylococci.

    PubMed

    Kassem, Issmat I; Sigler, Von; Esseili, Malak A

    2007-07-01

    The role of computer keyboards used by students of a metropolitan university as reservoirs of antibiotic-resistant staphylococci was determined. Putative methicillin (oxacillin)-resistant staphylococci isolates were identified from keyboard swabs following a combination of biochemical and genetic analyses. Of 24 keyboards surveyed, 17 were contaminated with staphylococci that grew in the presence of oxacillin (2 mg l(-1)). Methicillin (oxacillin)-resistant Staphylococcus aureus (MRSA), -S. epidermidis (MRSE) and -S. hominis (MRSH) were present on two, five and two keyboards, respectively, while all three staphylococci co-contaminated one keyboard. Furthermore, these were found to be part of a greater community of oxacillin-resistant bacteria. Combined with the broad user base common to public computers, the presence of antibiotic-resistant staphylococci on keyboard surfaces might impact the transmission and prevalence of pathogens throughout the community.

  5. Experience of public procurement of Open Compute servers

    NASA Astrophysics Data System (ADS)

    Bärring, Olof; Guerri, Marco; Bonfillou, Eric; Valsan, Liviu; Grigore, Alexandru; Dore, Vincent; Gentit, Alain; Clement, Benoît; Grossir, Anthony

    2015-12-01

    The Open Compute Project. OCP (http://www.opencompute.org/). was launched by Facebook in 2011 with the objective of building efficient computing infrastructures at the lowest possible cost. The technologies are released as open hardware. with the goal to develop servers and data centres following the model traditionally associated with open source software projects. In 2013 CERN acquired a few OCP servers in order to compare performance and power consumption with standard hardware. The conclusions were that there are sufficient savings to motivate an attempt to procure a large scale installation. One objective is to evaluate if the OCP market is sufficiently mature and broad enough to meet the constraints of a public procurement. This paper summarizes this procurement. which started in September 2014 and involved the Request for information (RFI) to qualify bidders and Request for Tender (RFT).

  6. Referees Often Miss Obvious Errors in Computer and Electronic Publications

    NASA Astrophysics Data System (ADS)

    de Gloucester, Paul Colin

    2013-05-01

    Misconduct is extensive and damaging. So-called science is prevalent. Articles resulting from so-called science are often cited in other publications. This can have damaging consequences for society and for science. The present work includes a scientometric study of 350 articles (published by the Association for Computing Machinery; Elsevier; The Institute of Electrical and Electronics Engineers, Inc.; John Wiley; Springer; Taylor & Francis; and World Scientific Publishing Co.). A lower bound of 85.4% articles are found to be incongruous. Authors cite inherently self-contradictory articles more than valid articles. Incorrect informational cascades ruin the literature's signal-to-noise ratio even for uncomplicated cases.

  7. Referees often miss obvious errors in computer and electronic publications.

    PubMed

    de Gloucester, Paul Colin

    2013-01-01

    Misconduct is extensive and damaging. So-called science is prevalent. Articles resulting from so-called science are often cited in other publications. This can have damaging consequences for society and for science. The present work includes a scientometric study of 350 articles (published by the Association for Computing Machinery; Elsevier; The Institute of Electrical and Electronics Engineers, Inc.; John Wiley; Springer; Taylor & Francis; and World Scientific Publishing Co.). A lower bound of 85.4% articles are found to be incongruous. Authors cite inherently self-contradictory articles more than valid articles. Incorrect informational cascades ruin the literature's signal-to-noise ratio even for uncomplicated cases.

  8. Computational Thermochemistry and Benchmarking of Reliable Methods

    SciTech Connect

    Feller, David F.; Dixon, David A.; Dunning, Thom H.; Dupuis, Michel; McClemore, Doug; Peterson, Kirk A.; Xantheas, Sotiris S.; Bernholdt, David E.; Windus, Theresa L.; Chalasinski, Grzegorz; Fosada, Rubicelia; Olguim, Jorge; Dobbs, Kerwin D.; Frurip, Donald; Stevens, Walter J.; Rondan, Nelson; Chase, Jared M.; Nichols, Jeffrey A.

    2006-06-20

    During the first and second years of the Computational Thermochemistry and Benchmarking of Reliable Methods project, we completed several studies using the parallel computing capabilities of the NWChem software and Molecular Science Computing Facility (MSCF), including large-scale density functional theory (DFT), second-order Moeller-Plesset (MP2) perturbation theory, and CCSD(T) calculations. During the third year, we continued to pursue the computational thermodynamic and benchmarking studies outlined in our proposal. With the issues affecting the robustness of the coupled cluster part of NWChem resolved, we pursued studies of the heats-of-formation of compounds containing 5 to 7 first- and/or second-row elements and approximately 10 to 14 hydrogens. The size of these systems, when combined with the large basis sets (cc-pVQZ and aug-cc-pVQZ) that are necessary for extrapolating to the complete basis set limit, creates a formidable computational challenge, for which NWChem on NWMPP1 is well suited.

  9. Shifted power method for computing tensor eigenpairs.

    SciTech Connect

    Mayo, Jackson R.; Kolda, Tamara Gibson

    2010-10-01

    Recent work on eigenvalues and eigenvectors for tensors of order m {>=} 3 has been motivated by applications in blind source separation, magnetic resonance imaging, molecular conformation, and more. In this paper, we consider methods for computing real symmetric-tensor eigenpairs of the form Ax{sup m-1} = {lambda}x subject to {parallel}x{parallel} = 1, which is closely related to optimal rank-1 approximation of a symmetric tensor. Our contribution is a novel shifted symmetric higher-order power method (SS-HOPM), which we showis guaranteed to converge to a tensor eigenpair. SS-HOPM can be viewed as a generalization of the power iteration method for matrices or of the symmetric higher-order power method. Additionally, using fixed point analysis, we can characterize exactly which eigenpairs can and cannot be found by the method. Numerical examples are presented, including examples from an extension of the method to fnding complex eigenpairs.

  10. Shifted power method for computing tensor eigenvalues.

    SciTech Connect

    Mayo, Jackson R.; Kolda, Tamara Gibson

    2010-07-01

    Recent work on eigenvalues and eigenvectors for tensors of order m >= 3 has been motivated by applications in blind source separation, magnetic resonance imaging, molecular conformation, and more. In this paper, we consider methods for computing real symmetric-tensor eigenpairs of the form Ax{sup m-1} = lambda x subject to ||x||=1, which is closely related to optimal rank-1 approximation of a symmetric tensor. Our contribution is a shifted symmetric higher-order power method (SS-HOPM), which we show is guaranteed to converge to a tensor eigenpair. SS-HOPM can be viewed as a generalization of the power iteration method for matrices or of the symmetric higher-order power method. Additionally, using fixed point analysis, we can characterize exactly which eigenpairs can and cannot be found by the method. Numerical examples are presented, including examples from an extension of the method to finding complex eigenpairs.

  11. Computational methods for ideal compressible flow

    NASA Technical Reports Server (NTRS)

    Vanleer, B.

    1983-01-01

    Conservative dissipative difference schemes for computing one dimensional flow are introduced, and the recognition and representation of flow discontinuities are discussed. Multidimensional methods are outlined. Second order finite volume schemes are introduced. Conversion of difference schemes for a single linear convection equation into schemes for the hyperbolic system of the nonlinear conservation laws of ideal compressible flow is explained. Approximate Riemann solvers are presented. Monotone initial value interpolation; and limiters, switches, and artificial dissipation are considered.

  12. Analytic Method for Computing Instrument Pointing Jitter

    NASA Technical Reports Server (NTRS)

    Bayard, David

    2003-01-01

    A new method of calculating the root-mean-square (rms) pointing jitter of a scientific instrument (e.g., a camera, radar antenna, or telescope) is introduced based on a state-space concept. In comparison with the prior method of calculating the rms pointing jitter, the present method involves significantly less computation. The rms pointing jitter of an instrument (the square root of the jitter variance shown in the figure) is an important physical quantity which impacts the design of the instrument, its actuators, controls, sensory components, and sensor- output-sampling circuitry. Using the Sirlin, San Martin, and Lucke definition of pointing jitter, the prior method of computing the rms pointing jitter involves a frequency-domain integral of a rational polynomial multiplied by a transcendental weighting function, necessitating the use of numerical-integration techniques. In practice, numerical integration complicates the problem of calculating the rms pointing error. In contrast, the state-space method provides exact analytic expressions that can be evaluated without numerical integration.

  13. Computations of entropy bounds: Multidimensional geometric methods

    SciTech Connect

    Makaruk, H.E.

    1998-02-01

    The entropy bounds for constructive upper bound on the needed number-of-bits for solving a dichotomy is represented by the quotient of two multidimensional solid volumes. For minimization of this upper bound exact calculation of the volume of this quotient is needed. Three methods for exact computing of the volume of a given nD volume are presented: (1) general method for calculation any nD volume by slicing it into volumes of decreasing dimension is presented; (2) a method applying appropriate curvilinear coordinate system is described for volume bounded by symmetrical curvilinear hypersurfaces (spheres, cones, hyperboloids, ellipsoids, cylinders, etc.); and (3) an algorithm for dividing any nD complex into simplices and computing of the volume of the simplices is presented, supplemented by a general formula for calculation of volume of an nD simplex. These mathematical methods enable exact calculation of volume of any complicated multidimensional solids. The methods allow for the calculation of the minimal volume and lead to tighter bounds on the needed number-of-bits.

  14. [Design and study of parallel computing environment of Monte Carlo simulation for particle therapy planning using a public cloud-computing infrastructure].

    PubMed

    Yokohama, Noriya

    2013-07-01

    This report was aimed at structuring the design of architectures and studying performance measurement of a parallel computing environment using a Monte Carlo simulation for particle therapy using a high performance computing (HPC) instance within a public cloud-computing infrastructure. Performance measurements showed an approximately 28 times faster speed than seen with single-thread architecture, combined with improved stability. A study of methods of optimizing the system operations also indicated lower cost. PMID:23877155

  15. [Design and study of parallel computing environment of Monte Carlo simulation for particle therapy planning using a public cloud-computing infrastructure].

    PubMed

    Yokohama, Noriya

    2013-07-01

    This report was aimed at structuring the design of architectures and studying performance measurement of a parallel computing environment using a Monte Carlo simulation for particle therapy using a high performance computing (HPC) instance within a public cloud-computing infrastructure. Performance measurements showed an approximately 28 times faster speed than seen with single-thread architecture, combined with improved stability. A study of methods of optimizing the system operations also indicated lower cost.

  16. Probabilistic Computational Methods in Structural Failure Analysis

    NASA Astrophysics Data System (ADS)

    Krejsa, Martin; Kralik, Juraj

    2015-12-01

    Probabilistic methods are used in engineering where a computational model contains random variables. Each random variable in the probabilistic calculations contains uncertainties. Typical sources of uncertainties are properties of the material and production and/or assembly inaccuracies in the geometry or the environment where the structure should be located. The paper is focused on methods for the calculations of failure probabilities in structural failure and reliability analysis with special attention on newly developed probabilistic method: Direct Optimized Probabilistic Calculation (DOProC), which is highly efficient in terms of calculation time and the accuracy of the solution. The novelty of the proposed method lies in an optimized numerical integration that does not require any simulation technique. The algorithm has been implemented in mentioned software applications, and has been used several times in probabilistic tasks and probabilistic reliability assessments.

  17. Delamination detection using methods of computational intelligence

    NASA Astrophysics Data System (ADS)

    Ihesiulor, Obinna K.; Shankar, Krishna; Zhang, Zhifang; Ray, Tapabrata

    2012-11-01

    Abstract Reliable delamination prediction scheme is indispensable in order to prevent potential risks of catastrophic failures in composite structures. The existence of delaminations changes the vibration characteristics of composite laminates and hence such indicators can be used to quantify the health characteristics of laminates. An approach for online health monitoring of in-service composite laminates is presented in this paper that relies on methods based on computational intelligence. Typical changes in the observed vibration characteristics (i.e. change in natural frequencies) are considered as inputs to identify the existence, location and magnitude of delaminations. The performance of the proposed approach is demonstrated using numerical models of composite laminates. Since this identification problem essentially involves the solution of an optimization problem, the use of finite element (FE) methods as the underlying tool for analysis turns out to be computationally expensive. A surrogate assisted optimization approach is hence introduced to contain the computational time within affordable limits. An artificial neural network (ANN) model with Bayesian regularization is used as the underlying approximation scheme while an improved rate of convergence is achieved using a memetic algorithm. However, building of ANN surrogate models usually requires large training datasets. K-means clustering is effectively employed to reduce the size of datasets. ANN is also used via inverse modeling to determine the position, size and location of delaminations using changes in measured natural frequencies. The results clearly highlight the efficiency and the robustness of the approach.

  18. Numerical methods for problems in computational aeroacoustics

    NASA Astrophysics Data System (ADS)

    Mead, Jodi Lorraine

    1998-12-01

    A goal of computational aeroacoustics is the accurate calculation of noise from a jet in the far field. This work concerns the numerical aspects of accurately calculating acoustic waves over large distances and long time. More specifically, the stability, efficiency, accuracy, dispersion and dissipation in spatial discretizations, time stepping schemes, and absorbing boundaries for the direct solution of wave propagation problems are determined. Efficient finite difference methods developed by Tam and Webb, which minimize dispersion and dissipation, are commonly used for the spatial and temporal discretization. Alternatively, high order pseudospectral methods can be made more efficient by using the grid transformation introduced by Kosloff and Tal-Ezer. Work in this dissertation confirms that the grid transformation introduced by Kosloff and Tal-Ezer is not spectrally accurate because, in the limit, the grid transformation forces zero derivatives at the boundaries. If a small number of grid points are used, it is shown that approximations with the Chebyshev pseudospectral method with the Kosloff and Tal-Ezer grid transformation are as accurate as with the Chebyshev pseudospectral method. This result is based on the analysis of the phase and amplitude errors of these methods, and their use for the solution of a benchmark problem in computational aeroacoustics. For the grid transformed Chebyshev method with a small number of grid points it is, however, more appropriate to compare its accuracy with that of high- order finite difference methods. This comparison, for an order of accuracy 10-3 for a benchmark problem in computational aeroacoustics, is performed for the grid transformed Chebyshev method and the fourth order finite difference method of Tam. Solutions with the finite difference method are as accurate. and the finite difference method is more efficient than, the Chebyshev pseudospectral method with the grid transformation. The efficiency of the Chebyshev

  19. Computational method for free surface hydrodynamics

    SciTech Connect

    Hirt, C.W.; Nichols, B.D.

    1980-01-01

    There are numerous flow phenomena in pressure vessel and piping systems that involve the dynamics of free fluid surfaces. For example, fluid interfaces must be considered during the draining or filling of tanks, in the formation and collapse of vapor bubbles, and in seismically shaken vessels that are partially filled. To aid in the analysis of these types of flow phenomena, a new technique has been developed for the computation of complicated free-surface motions. This technique is based on the concept of a local average volume of fluid (VOF) and is embodied in a computer program for two-dimensional, transient fluid flow called SOLA-VOF. The basic approach used in the VOF technique is briefly described, and compared to other free-surface methods. Specific capabilities of the SOLA-VOF program are illustrated by generic examples of bubble growth and collapse, flows of immiscible fluid mixtures, and the confinement of spilled liquids.

  20. Review of Computational Stirling Analysis Methods

    NASA Technical Reports Server (NTRS)

    Dyson, Rodger W.; Wilson, Scott D.; Tew, Roy C.

    2004-01-01

    Nuclear thermal to electric power conversion carries the promise of longer duration missions and higher scientific data transmission rates back to Earth for both Mars rovers and deep space missions. A free-piston Stirling convertor is a candidate technology that is considered an efficient and reliable power conversion device for such purposes. While already very efficient, it is believed that better Stirling engines can be developed if the losses inherent its current designs could be better understood. However, they are difficult to instrument and so efforts are underway to simulate a complete Stirling engine numerically. This has only recently been attempted and a review of the methods leading up to and including such computational analysis is presented. And finally it is proposed that the quality and depth of Stirling loss understanding may be improved by utilizing the higher fidelity and efficiency of recently developed numerical methods. One such method, the Ultra HI-Fl technique is presented in detail.

  1. Computational Statistical Methods for Social Network Models

    PubMed Central

    Hunter, David R.; Krivitsky, Pavel N.; Schweinberger, Michael

    2013-01-01

    We review the broad range of recent statistical work in social network models, with emphasis on computational aspects of these methods. Particular focus is applied to exponential-family random graph models (ERGM) and latent variable models for data on complete networks observed at a single time point, though we also briefly review many methods for incompletely observed networks and networks observed at multiple time points. Although we mention far more modeling techniques than we can possibly cover in depth, we provide numerous citations to current literature. We illustrate several of the methods on a small, well-known network dataset, Sampson’s monks, providing code where possible so that these analyses may be duplicated. PMID:23828720

  2. A method to compute the QRPA

    NASA Astrophysics Data System (ADS)

    Avogadro, Paolo; Nakatsukasa, Takashi

    2009-10-01

    We introduce the finite amplitude method (FAM) for the QRPA. This method allows to build fully self consistent QRPA codes; since the FAM method is not limited to spherically symmetric systems it is helpful in the solution of the deformed QRPA problem where the construction of the matrices is a difficult task in itself. All that is needed to write a QRPA code with the FAM method is a HFB code; the residual fields ( δh(φ), δh^(φ), δδ(φ) and δ̂(φ)), which usually are the difficult part to be calculated, are computed with a numerical derivation which requires the quasi-particle amplitudes previously obtained with the HFB code and the QRPA amplitudes. The FAM method is not involved in the diagonalization of the QRPA matrices, a task which can be solved via iterative methods (like the Conjugate Gradient Method).[4pt] [1] T. Nakatsukasa, T. Inakura and K. Yabana: Phys. Rev. C 76 024318 (2007)

  3. Teaching Practical Public Health Evaluation Methods

    ERIC Educational Resources Information Center

    Davis, Mary V.

    2006-01-01

    Human service fields, and more specifically public health, are increasingly requiring evaluations to prove the worth of funded programs. Many public health practitioners, however, lack the required background and skills to conduct useful, appropriate evaluations. In the late 1990s, the Centers for Disease Control and Prevention (CDC) created the…

  4. Evolutionary Computing Methods for Spectral Retrieval

    NASA Technical Reports Server (NTRS)

    Terrile, Richard; Fink, Wolfgang; Huntsberger, Terrance; Lee, Seugwon; Tisdale, Edwin; VonAllmen, Paul; Tinetti, Geivanna

    2009-01-01

    A methodology for processing spectral images to retrieve information on underlying physical, chemical, and/or biological phenomena is based on evolutionary and related computational methods implemented in software. In a typical case, the solution (the information that one seeks to retrieve) consists of parameters of a mathematical model that represents one or more of the phenomena of interest. The methodology was developed for the initial purpose of retrieving the desired information from spectral image data acquired by remote-sensing instruments aimed at planets (including the Earth). Examples of information desired in such applications include trace gas concentrations, temperature profiles, surface types, day/night fractions, cloud/aerosol fractions, seasons, and viewing angles. The methodology is also potentially useful for retrieving information on chemical and/or biological hazards in terrestrial settings. In this methodology, one utilizes an iterative process that minimizes a fitness function indicative of the degree of dissimilarity between observed and synthetic spectral and angular data. The evolutionary computing methods that lie at the heart of this process yield a population of solutions (sets of the desired parameters) within an accuracy represented by a fitness-function value specified by the user. The evolutionary computing methods (ECM) used in this methodology are Genetic Algorithms and Simulated Annealing, both of which are well-established optimization techniques and have also been described in previous NASA Tech Briefs articles. These are embedded in a conceptual framework, represented in the architecture of the implementing software, that enables automatic retrieval of spectral and angular data and analysis of the retrieved solutions for uniqueness.

  5. Assessing the Impact of Personal Computers on Informational Services in the Public Libraries of the Cleveland Public Library Consortium.

    ERIC Educational Resources Information Center

    Seiler, Jeffrey John

    In order to identify other libraries' policies regarding public access to personal computers, the Hudson Library and Historical Society sent a survey to the reference and/or informational services librarians in the 18 public libraries of the Cleveland (Ohio) Public Library Consortium. The purpose of the 32-item questionnaire was to determine if…

  6. Survey of the Computer Users of the Upper Arlington Public Library.

    ERIC Educational Resources Information Center

    Tsardoulias, L. Sevim

    The Computer Services Department of the Upper Arlington Public Library in Franklin County, Ohio, provides microcomputers for public use, including IBM compatible and Macintosh computers, a laser printer, and dot-matrix printers. Circulation statistics provide data regarding the frequency and amount of computer use, but these statistics indicate…

  7. 32 CFR 310.52 - Computer matching publication and review requirements.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 32 National Defense 2 2012-07-01 2012-07-01 false Computer matching publication and review... OF DEFENSE (CONTINUED) PRIVACY PROGRAM DOD PRIVACY PROGRAM Computer Matching Program Procedures § 310.52 Computer matching publication and review requirements. (a) DoD Components shall identify...

  8. 32 CFR 310.52 - Computer matching publication and review requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 2 2010-07-01 2010-07-01 false Computer matching publication and review... OF DEFENSE (CONTINUED) PRIVACY PROGRAM DOD PRIVACY PROGRAM Computer Matching Program Procedures § 310.52 Computer matching publication and review requirements. (a) DoD Components shall identify...

  9. 32 CFR 310.52 - Computer matching publication and review requirements.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 32 National Defense 2 2014-07-01 2014-07-01 false Computer matching publication and review... OF DEFENSE (CONTINUED) PRIVACY PROGRAM DOD PRIVACY PROGRAM Computer Matching Program Procedures § 310.52 Computer matching publication and review requirements. (a) DoD Components shall identify...

  10. 32 CFR 310.52 - Computer matching publication and review requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 2 2011-07-01 2011-07-01 false Computer matching publication and review... OF DEFENSE (CONTINUED) PRIVACY PROGRAM DOD PRIVACY PROGRAM Computer Matching Program Procedures § 310.52 Computer matching publication and review requirements. (a) DoD Components shall identify...

  11. 32 CFR 310.52 - Computer matching publication and review requirements.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 32 National Defense 2 2013-07-01 2013-07-01 false Computer matching publication and review... OF DEFENSE (CONTINUED) PRIVACY PROGRAM DOD PRIVACY PROGRAM Computer Matching Program Procedures § 310.52 Computer matching publication and review requirements. (a) DoD Components shall identify...

  12. Computational methods for optical molecular imaging

    PubMed Central

    Chen, Duan; Wei, Guo-Wei; Cong, Wen-Xiang; Wang, Ge

    2010-01-01

    Summary A new computational technique, the matched interface and boundary (MIB) method, is presented to model the photon propagation in biological tissue for the optical molecular imaging. Optical properties have significant differences in different organs of small animals, resulting in discontinuous coefficients in the diffusion equation model. Complex organ shape of small animal induces singularities of the geometric model as well. The MIB method is designed as a dimension splitting approach to decompose a multidimensional interface problem into one-dimensional ones. The methodology simplifies the topological relation near an interface and is able to handle discontinuous coefficients and complex interfaces with geometric singularities. In the present MIB method, both the interface jump condition and the photon flux jump conditions are rigorously enforced at the interface location by using only the lowest-order jump conditions. This solution near the interface is smoothly extended across the interface so that central finite difference schemes can be employed without the loss of accuracy. A wide range of numerical experiments are carried out to validate the proposed MIB method. The second-order convergence is maintained in all benchmark problems. The fourth-order convergence is also demonstrated for some three-dimensional problems. The robustness of the proposed method over the variable strength of the linear term of the diffusion equation is also examined. The performance of the present approach is compared with that of the standard finite element method. The numerical study indicates that the proposed method is a potentially efficient and robust approach for the optical molecular imaging. PMID:20485461

  13. Computational electromagnetic methods for transcranial magnetic stimulation

    NASA Astrophysics Data System (ADS)

    Gomez, Luis J.

    Transcranial magnetic stimulation (TMS) is a noninvasive technique used both as a research tool for cognitive neuroscience and as a FDA approved treatment for depression. During TMS, coils positioned near the scalp generate electric fields and activate targeted brain regions. In this thesis, several computational electromagnetics methods that improve the analysis, design, and uncertainty quantification of TMS systems were developed. Analysis: A new fast direct technique for solving the large and sparse linear system of equations (LSEs) arising from the finite difference (FD) discretization of Maxwell's quasi-static equations was developed. Following a factorization step, the solver permits computation of TMS fields inside realistic brain models in seconds, allowing for patient-specific real-time usage during TMS. The solver is an alternative to iterative methods for solving FD LSEs, often requiring run-times of minutes. A new integral equation (IE) method for analyzing TMS fields was developed. The human head is highly-heterogeneous and characterized by high-relative permittivities (107). IE techniques for analyzing electromagnetic interactions with such media suffer from high-contrast and low-frequency breakdowns. The novel high-permittivity and low-frequency stable internally combined volume-surface IE method developed. The method not only applies to the analysis of high-permittivity objects, but it is also the first IE tool that is stable when analyzing highly-inhomogeneous negative permittivity plasmas. Design: TMS applications call for electric fields to be sharply focused on regions that lie deep inside the brain. Unfortunately, fields generated by present-day Figure-8 coils stimulate relatively large regions near the brain surface. An optimization method for designing single feed TMS coil-arrays capable of producing more localized and deeper stimulation was developed. Results show that the coil-arrays stimulate 2.4 cm into the head while stimulating 3

  14. Computational predictive methods for fracture and fatigue

    NASA Astrophysics Data System (ADS)

    Cordes, J.; Chang, A. T.; Nelson, N.; Kim, Y.

    1994-09-01

    The damage-tolerant design philosophy as used by aircraft industries enables aircraft components and aircraft structures to operate safely with minor damage, small cracks, and flaws. Maintenance and inspection procedures insure that damages developed during service remain below design values. When damage is found, repairs or design modifications are implemented and flight is resumed. Design and redesign guidelines, such as military specifications MIL-A-83444, have successfully reduced the incidence of damage and cracks. However, fatigue cracks continue to appear in aircraft well before the design life has expired. The F16 airplane, for instance, developed small cracks in the engine mount, wing support, bulk heads, the fuselage upper skin, the fuel shelf joints, and along the upper wings. Some cracks were found after 600 hours of the 8000 hour design service life and design modifications were required. Tests on the F16 plane showed that the design loading conditions were close to the predicted loading conditions. Improvements to analytic methods for predicting fatigue crack growth adjacent to holes, when multiple damage sites are present, and in corrosive environments would result in more cost-effective designs, fewer repairs, and fewer redesigns. The overall objective of the research described in this paper is to develop, verify, and extend the computational efficiency of analysis procedures necessary for damage tolerant design. This paper describes an elastic/plastic fracture method and an associated fatigue analysis method for damage tolerant design. Both methods are unique in that material parameters such as fracture toughness, R-curve data, and fatigue constants are not required. The methods are implemented with a general-purpose finite element package. Several proof-of-concept examples are given. With further development, the methods could be extended for analysis of multi-site damage, creep-fatigue, and corrosion fatigue problems.

  15. Computational predictive methods for fracture and fatigue

    NASA Technical Reports Server (NTRS)

    Cordes, J.; Chang, A. T.; Nelson, N.; Kim, Y.

    1994-01-01

    The damage-tolerant design philosophy as used by aircraft industries enables aircraft components and aircraft structures to operate safely with minor damage, small cracks, and flaws. Maintenance and inspection procedures insure that damages developed during service remain below design values. When damage is found, repairs or design modifications are implemented and flight is resumed. Design and redesign guidelines, such as military specifications MIL-A-83444, have successfully reduced the incidence of damage and cracks. However, fatigue cracks continue to appear in aircraft well before the design life has expired. The F16 airplane, for instance, developed small cracks in the engine mount, wing support, bulk heads, the fuselage upper skin, the fuel shelf joints, and along the upper wings. Some cracks were found after 600 hours of the 8000 hour design service life and design modifications were required. Tests on the F16 plane showed that the design loading conditions were close to the predicted loading conditions. Improvements to analytic methods for predicting fatigue crack growth adjacent to holes, when multiple damage sites are present, and in corrosive environments would result in more cost-effective designs, fewer repairs, and fewer redesigns. The overall objective of the research described in this paper is to develop, verify, and extend the computational efficiency of analysis procedures necessary for damage tolerant design. This paper describes an elastic/plastic fracture method and an associated fatigue analysis method for damage tolerant design. Both methods are unique in that material parameters such as fracture toughness, R-curve data, and fatigue constants are not required. The methods are implemented with a general-purpose finite element package. Several proof-of-concept examples are given. With further development, the methods could be extended for analysis of multi-site damage, creep-fatigue, and corrosion fatigue problems.

  16. An analytic method to compute star cluster luminosity statistics

    NASA Astrophysics Data System (ADS)

    da Silva, Robert L.; Krumholz, Mark R.; Fumagalli, Michele; Fall, S. Michael

    2014-03-01

    The luminosity distribution of the brightest star clusters in a population of galaxies encodes critical pieces of information about how clusters form, evolve and disperse, and whether and how these processes depend on the large-scale galactic environment. However, extracting constraints on models from these data is challenging, in part because comparisons between theory and observation have traditionally required computationally intensive Monte Carlo methods to generate mock data that can be compared to observations. We introduce a new method that circumvents this limitation by allowing analytic computation of cluster order statistics, i.e. the luminosity distribution of the Nth most luminous cluster in a population. Our method is flexible and requires few assumptions, allowing for parametrized variations in the initial cluster mass function and its upper and lower cutoffs, variations in the cluster age distribution, stellar evolution and dust extinction, as well as observational uncertainties in both the properties of star clusters and their underlying host galaxies. The method is fast enough to make it feasible for the first time to use Markov chain Monte Carlo methods to search parameter space to find best-fitting values for the parameters describing cluster formation and disruption, and to obtain rigorous confidence intervals on the inferred values. We implement our method in a software package called the Cluster Luminosity Order-Statistic Code, which we have made publicly available.

  17. Domain decomposition methods in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Gropp, William D.; Keyes, David E.

    1992-01-01

    The divide-and-conquer paradigm of iterative domain decomposition, or substructuring, has become a practical tool in computational fluid dynamic applications because of its flexibility in accommodating adaptive refinement through locally uniform (or quasi-uniform) grids, its ability to exploit multiple discretizations of the operator equations, and the modular pathway it provides towards parallelism. These features are illustrated on the classic model problem of flow over a backstep using Newton's method as the nonlinear iteration. Multiple discretizations (second-order in the operator and first-order in the preconditioner) and locally uniform mesh refinement pay dividends separately, and they can be combined synergistically. Sample performance results are included from an Intel iPSC/860 hypercube implementation.

  18. Computational simulation methods for composite fracture mechanics

    NASA Technical Reports Server (NTRS)

    Murthy, Pappu L. N.

    1988-01-01

    Structural integrity, durability, and damage tolerance of advanced composites are assessed by studying damage initiation at various scales (micro, macro, and global) and accumulation and growth leading to global failure, quantitatively and qualitatively. In addition, various fracture toughness parameters associated with a typical damage and its growth must be determined. Computational structural analysis codes to aid the composite design engineer in performing these tasks were developed. CODSTRAN (COmposite Durability STRuctural ANalysis) is used to qualitatively and quantitatively assess the progressive damage occurring in composite structures due to mechanical and environmental loads. Next, methods are covered that are currently being developed and used at Lewis to predict interlaminar fracture toughness and related parameters of fiber composites given a prescribed damage. The general purpose finite element code MSC/NASTRAN was used to simulate the interlaminar fracture and the associated individual as well as mixed-mode strain energy release rates in fiber composites.

  19. Domain decomposition methods in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Gropp, William D.; Keyes, David E.

    1991-01-01

    The divide-and-conquer paradigm of iterative domain decomposition, or substructuring, has become a practical tool in computational fluid dynamic applications because of its flexibility in accommodating adaptive refinement through locally uniform (or quasi-uniform) grids, its ability to exploit multiple discretizations of the operator equations, and the modular pathway it provides towards parallelism. These features are illustrated on the classic model problem of flow over a backstep using Newton's method as the nonlinear iteration. Multiple discretizations (second-order in the operator and first-order in the preconditioner) and locally uniform mesh refinement pay dividends separately, and they can be combined synergistically. Sample performance results are included from an Intel iPSC/860 hypercube implementation.

  20. Modules and methods for all photonic computing

    DOEpatents

    Schultz, David R.; Ma, Chao Hung

    2001-01-01

    A method for all photonic computing, comprising the steps of: encoding a first optical/electro-optical element with a two dimensional mathematical function representing input data; illuminating the first optical/electro-optical element with a collimated beam of light; illuminating a second optical/electro-optical element with light from the first optical/electro-optical element, the second optical/electro-optical element having a characteristic response corresponding to an iterative algorithm useful for solving a partial differential equation; iteratively recirculating the signal through the second optical/electro-optical element with light from the second optical/electro-optical element for a predetermined number of iterations; and, after the predetermined number of iterations, optically and/or electro-optically collecting output data representing an iterative optical solution from the second optical/electro-optical element.

  1. The Contingent Valuation Method in Public Libraries

    ERIC Educational Resources Information Center

    Chung, Hye-Kyung

    2008-01-01

    This study aims to present a new model measuring the economic value of public libraries, combining the dissonance minimizing (DM) and information bias minimizing (IBM) format in the contingent valuation (CV) surveys. The possible biases which are tied to the conventional CV surveys are reviewed. An empirical study is presented to compare the model…

  2. Computational Evaluation of the Traceback Method

    ERIC Educational Resources Information Center

    Kol, Sheli; Nir, Bracha; Wintner, Shuly

    2014-01-01

    Several models of language acquisition have emerged in recent years that rely on computational algorithms for simulation and evaluation. Computational models are formal and precise, and can thus provide mathematically well-motivated insights into the process of language acquisition. Such models are amenable to robust computational evaluation,…

  3. User's guide to SAC, a computer program for computing discharge by slope-area method

    USGS Publications Warehouse

    Fulford, Janice M.

    1994-01-01

    This user's guide contains information on using the slope-area program, SAC. SAC can be used to compute peak flood discharges from measurements of high-water marks along a stream reach. The Slope-area method used by the program is the U.S. Geological Survey (USGS) procedure presented in Techniques of Water Resources Investigations of the U.S. Geological Survey, beok 3, chapter A2, "Measurement of Peak Discharge by the Slope-Area Method." The program uses input files that have formats compatible with those used by the water-surface profile program (WSPRO) described in the Federal Highways Administration publication FHWA-IP-89-027. The guide briefly describes the slope-area method documents the input requirements and the output produced, and demonstrates use of SAC.

  4. 47 CFR 61.14 - Method of filing publications.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...) TARIFFS Rules for Electronic Filing § 61.14 Method of filing publications. (a) Publications filed... Electronic Tariff Filing System will accept filings 24 hours a day, seven days a week. The official filing date of a publication received by the Electronic Tariff Filing System will be determined by the...

  5. Predicting the Number of Public Computer Terminals Needed for an On-Line Catalog: A Queuing Theory Approach.

    ERIC Educational Resources Information Center

    Knox, A. Whitney; Miller, Bruce A.

    1980-01-01

    Describes a method for estimating the number of cathode ray tube terminals needed for public use of an online library catalog. Authors claim method could also be used to estimate needed numbers of microform readers for a computer output microform (COM) catalog. Formulae are included. (Author/JD)

  6. A Classification of Recent Australasian Computing Education Publications

    ERIC Educational Resources Information Center

    Computer Science Education, 2007

    2007-01-01

    A new classification system for computing education papers is presented and applied to every computing education paper published between January 2004 and January 2007 at the two premier computing education conferences in Australia and New Zealand. We find that while simple reports outnumber other types of paper, a healthy proportion of papers…

  7. Methods for Improving the User-Computer Interface. Technical Report.

    ERIC Educational Resources Information Center

    McCann, Patrick H.

    This summary of methods for improving the user-computer interface is based on a review of the pertinent literature. Requirements of the personal computer user are identified and contrasted with computer designer perspectives towards the user. The user's psychological needs are described, so that the design of the user-computer interface may be…

  8. Saving lives: a computer simulation game for public education about emergencies

    SciTech Connect

    Morentz, J.W.

    1985-01-01

    One facet of the Information Revolution in which the nation finds itself involves the utilization of computers, video systems, and a variety of telecommunications capabilities by those who must cope with emergency situations. Such technologies possess a significant potential for performing emergency public education and transmitting key information that is essential for survival. An ''Emergency Public Information Competitive Challenge Grant,'' under the aegis of the Federal Emergency Management Agency (FEMA), has sponsored an effort to use computer technology - both large, time-sharing systems and small personal computers - to develop computer games which will help teach techniques of emergency management to the public at large. 24 references.

  9. Effectiveness of Teaching Methods: Computer Literacy of End-Users.

    ERIC Educational Resources Information Center

    Gattiker, Urs E.; And Others

    Computer literacy has been identified as one of the most important factors for the effective use of computer-based technology in the workplace. Managers need to know the most efficient methods available to teach computer skills to their employees in a short time. Such methods need to be suitable for all employees, whether academically gifted or…

  10. Computational methods in sequence and structure prediction

    NASA Astrophysics Data System (ADS)

    Lang, Caiyi

    This dissertation is organized into two parts. In the first part, we will discuss three computational methods for cis-regulatory element recognition in three different gene regulatory networks as the following: (a) Using a comprehensive "Phylogenetic Footprinting Comparison" method, we will investigate the promoter sequence structures of three enzymes (PAL, CHS and DFR) that catalyze sequential steps in the pathway from phenylalanine to anthocyanins in plants. Our result shows there exists a putative cis-regulatory element "AC(C/G)TAC(C)" in the upstream of these enzyme genes. We propose this cis-regulatory element to be responsible for the genetic regulation of these three enzymes and this element, might also be the binding site for MYB class transcription factor PAP1. (b) We will investigate the role of the Arabidopsis gene glutamate receptor 1.1 (AtGLR1.1) in C and N metabolism by utilizing the microarray data we obtained from AtGLR1.1 deficient lines (antiAtGLR1.1). We focus our investigation on the putatively co-regulated transcript profile of 876 genes we have collected in antiAtGLR1.1 lines. By (a) scanning the occurrence of several groups of known abscisic acid (ABA) related cisregulatory elements in the upstream regions of 876 Arabidopsis genes; and (b) exhaustive scanning of all possible 6-10 bps motif occurrence in the upstream regions of the same set of genes, we are able to make a quantative estimation on the enrichment level of each of the cis-regulatory element candidates. We finally conclude that one specific cis-regulatory element group, called "ABRE" elements, are statistically highly enriched within the 876-gene group as compared to their occurrence within the genome. (c) We will introduce a new general purpose algorithm, called "fuzzy REDUCE1", which we have developed recently for automated cis-regulatory element identification. In the second part, we will discuss our newly devised protein design framework. With this framework we have developed

  11. Universal Tailored Access: Automating Setup of Public and Classroom Computers.

    ERIC Educational Resources Information Center

    Whittaker, Stephen G.; Young, Ted; Toth-Cohen, Susan

    2002-01-01

    This article describes a setup smart access card that enables users with visual impairments to customize magnifiers and screen readers on computers by loading the floppy disk into the computer and finding and pressing two successive keys. A trial with four elderly users found instruction took about 15 minutes. (Contains 3 references.) (CR)

  12. Programs for Use in Teaching Research Methods for Small Computers

    ERIC Educational Resources Information Center

    Halley, Fred S.

    1975-01-01

    Description of Sociology Library (SOLIB), presented as a package of computer programs designed for smaller computers used in research methods courses and by students performing independent research. (Author/ND)

  13. Computational structural mechanics methods research using an evolving framework

    NASA Technical Reports Server (NTRS)

    Knight, N. F., Jr.; Lotts, C. G.; Gillian, R. E.

    1990-01-01

    Advanced structural analysis and computational methods that exploit high-performance computers are being developed in a computational structural mechanics research activity sponsored by the NASA Langley Research Center. These new methods are developed in an evolving framework and applied to representative complex structural analysis problems from the aerospace industry. An overview of the methods development environment is presented, and methods research areas are described. Selected application studies are also summarized.

  14. 77 FR 74829 - Notice of Public Meeting-Cloud Computing and Big Data Forum and Workshop

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-18

    ... National Institute of Standards and Technology Notice of Public Meeting--Cloud Computing and Big Data Forum...) announces a Cloud Computing and Big Data Forum and Workshop to be held on Tuesday, January 15, Wednesday... workshop. The NIST Cloud Computing and Big Data Forum and Workshop will bring together leaders...

  15. 76 FR 62373 - Notice of Public Meeting-Cloud Computing Forum & Workshop IV

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-07

    ... National Institute of Standards and Technology Notice of Public Meeting--Cloud Computing Forum & Workshop...: NIST announces the Cloud Computing Forum & Workshop IV to be held on November 2, 3 and 4, 2011. This workshop will provide information on the U.S. Government (USG) Cloud Computing Technology...

  16. 77 FR 26509 - Notice of Public Meeting-Cloud Computing Forum & Workshop V

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-04

    ... National Institute of Standards and Technology Notice of Public Meeting--Cloud Computing Forum & Workshop V... announces the Cloud Computing Forum & Workshop V to be held on Tuesday, Wednesday and Thursday, June 5, 6... provide information on the U.S. Government (USG) Cloud Computing Technology Roadmap initiative....

  17. Computational aeroacoustics: Its methods and applications

    NASA Astrophysics Data System (ADS)

    Zheng, Shi

    The first part of this thesis deals with the methodology of computational aeroacoustics (CAA). It is shown that although the overall accuracy of a broadband optimized upwind scheme can be improved to some degree, a scheme that is accurate everywhere in a wide range is not possible because increasing the accuracy for large wavenumbers is always at the expense of decreasing that for smaller wavenumbers. Partially for avoiding such a dilemma, optimized multi-component schemes are proposed that are superior to optimized broadband schemes for a sound field with dominant wavenumbers. The Fourier analysis shows that even for broadband waves an optimized central multi-component scheme is at least comparable to an optimized central broadband scheme. Numerical implementation of the impedance boundary condition in the time domain is a unique and challenging topic in CAA. A benchmark problem is proposed for such implementation and its analytical solution is derived. A CAA code using Tam and Auriault's formulation of broadband time-domain impedance boundary condition accurately reproduces the analytical solution. For the duct environment, the code also accurately predicts the analytical solution of a semi-infinite impedance duct problem and the experimental data from the NASA Langley Flow Impedance Tube Facility. In the second part of the thesis are applications of the developed CAA codes. A time-domain method is formulated to separate the instability waves from the acoustic waves of the linearized Euler equations in a critical sheared mean flow. Its effectiveness is demonstrated with the CAA code solving a test problem. Other applications are concerned with optimization using the CAA codes. A noise prediction and optimization system for turbofan engine inlet duct design is developed and applied in three scenarios: liner impedance optimization, duct geometry optimization and liner layout optimization. The results show that the system is effective in finding design variable

  18. EPA National Center for Computational Toxicology UPDATE (ICCVAM public forum)

    EPA Science Inventory

    A presentation to the ICCVAM Public Forum on several new and exciting activities at NCCT, including Chemical library update, Chemistry Dashboard, Retrofitting in vitro assays with metabolic competence and In vitro PK.

  19. Method of performing computational aeroelastic analyses

    NASA Technical Reports Server (NTRS)

    Silva, Walter A. (Inventor)

    2011-01-01

    Computational aeroelastic analyses typically use a mathematical model for the structural modes of a flexible structure and a nonlinear aerodynamic model that can generate a plurality of unsteady aerodynamic responses based on the structural modes for conditions defining an aerodynamic condition of the flexible structure. In the present invention, a linear state-space model is generated using a single execution of the nonlinear aerodynamic model for all of the structural modes where a family of orthogonal functions is used as the inputs. Then, static and dynamic aeroelastic solutions are generated using computational interaction between the mathematical model and the linear state-space model for a plurality of periodic points in time.

  20. Excellence in Computational Biology and Informatics — EDRN Public Portal

    Cancer.gov

    9th Early Detection Research Network (EDRN) Scientific Workshop. Excellence in Computational Biology and Informatics: Sponsored by the EDRN Data Sharing Subcommittee Moderator: Daniel Crichton, M.S., NASA Jet Propulsion Laboratory

  1. Proposed standards for peer-reviewed publication of computer code

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Computer simulation models are mathematical abstractions of physical systems. In the area of natural resources and agriculture, these physical systems encompass selected interacting processes in plants, soils, animals, or watersheds. These models are scientific products and have become important i...

  2. Awareness of Accessibility Barriers in Computer-Based Instructional Materials and Faculty Demographics at South Dakota Public Universities

    ERIC Educational Resources Information Center

    Olson, Christopher

    2013-01-01

    Advances in technology and course delivery methods have enabled persons with disabilities to enroll in higher education at an increasing rate. Federal regulations state persons with disabilities must be granted equal access to the information contained in computer-based instructional materials, but faculty at the six public universities in South…

  3. A method of billing third generation computer users

    NASA Technical Reports Server (NTRS)

    Anderson, P. N.; Hyter, D. R.

    1973-01-01

    A method is presented for charging users for the processing of their applications on third generation digital computer systems is presented. For background purposes, problems and goals in billing on third generation systems are discussed. Detailed formulas are derived based on expected utilization and computer component cost. These formulas are then applied to a specific computer system (UNIVAC 1108). The method, although possessing some weaknesses, is presented as a definite improvement over use of second generation billing methods.

  4. Methods of the computer-aided statistical analysis of microcircuits

    NASA Astrophysics Data System (ADS)

    Beliakov, Iu. N.; Kurmaev, F. A.; Batalov, B. V.

    Methods that are currently used for the computer-aided statistical analysis of microcircuits at the design stage are summarized. In particular, attention is given to methods for solving problems in statistical analysis, statistical planning, and factorial model synthesis by means of irregular experimental design. Efficient ways of reducing the computer time required for statistical analysis and numerical methods of microcircuit analysis are proposed. The discussion also covers various aspects of the organization of computer-aided microcircuit modeling and analysis systems.

  5. Ideal and computer mathematics applied to meshfree methods

    NASA Astrophysics Data System (ADS)

    Kansa, E.

    2016-10-01

    Early numerical methods to solve ordinary and partial differential relied upon human computers who used mechanical devices. The algorithms used changed little over the evolution of electronic computers having only low order convergence rates. A meshfree scheme was developed for problems that converges exponentially using the latest computational science toolkit.

  6. Soft Computing Methods in Design of Superalloys

    NASA Technical Reports Server (NTRS)

    Cios, K. J.; Berke, L.; Vary, A.; Sharma, S.

    1996-01-01

    Soft computing techniques of neural networks and genetic algorithms are used in the design of superalloys. The cyclic oxidation attack parameter K(sub a), generated from tests at NASA Lewis Research Center, is modelled as a function of the superalloy chemistry and test temperature using a neural network. This model is then used in conjunction with a genetic algorithm to obtain an optimized superalloy composition resulting in low K(sub a) values.

  7. Statistical methods and computing for big data

    PubMed Central

    Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing

    2016-01-01

    Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay. PMID:27695593

  8. Computational methods for physical mapping of chromosomes

    SciTech Connect

    Torney, D.C.; Schenk, K.R. ); Whittaker, C.C. Los Alamos National Lab., NM ); White, S.W. )

    1990-01-01

    A standard technique for mapping a chromosome is to randomly select pieces, to use restriction enzymes to cut these pieces into fragments, and then to use the fragments for estimating the probability of overlap of these pieces. Typically, the order of the fragments within a piece is not determined, and the observed fragment data from each pair of pieces must be permuted N1 {times} N2 ways to evaluate the probability of overlap, N1 and N2 being the observed number of fragments in the two selected pieces. We will describe computational approaches used to substantially reduce the computational complexity of the calculation of overlap probability from fragment data. Presently, about 10{sup {minus}4} CPU seconds on one processor of an IBM 3090 is required for calculation of overlap probability from the fragment data of two randomly selected pieces, with an average of ten fragments per piece. A parallel version has been written using IBM clustered FORTRAN. Parallel measurements for 1, 6, and 12 processors will be presented. This approach has proven promising in the mapping of chromosome 16 at Los Alamos National Laboratory. We will also describe other computational challenges presented by physical mapping. 4 refs., 4 figs., 1 tab.

  9. Statistical methods and computing for big data

    PubMed Central

    Wang, Chun; Chen, Ming-Hui; Schifano, Elizabeth; Wu, Jing

    2016-01-01

    Big data are data on a massive scale in terms of volume, intensity, and complexity that exceed the capacity of standard analytic tools. They present opportunities as well as challenges to statisticians. The role of computational statisticians in scientific discovery from big data analyses has been under-recognized even by peer statisticians. This article summarizes recent methodological and software developments in statistics that address the big data challenges. Methodologies are grouped into three classes: subsampling-based, divide and conquer, and online updating for stream data. As a new contribution, the online updating approach is extended to variable selection with commonly used criteria, and their performances are assessed in a simulation study with stream data. Software packages are summarized with focuses on the open source R and R packages, covering recent tools that help break the barriers of computer memory and computing power. Some of the tools are illustrated in a case study with a logistic regression for the chance of airline delay.

  10. The Battle to Secure Our Public Access Computers

    ERIC Educational Resources Information Center

    Sendze, Monique

    2006-01-01

    Securing public access workstations should be a significant part of any library's network and information-security strategy because of the sensitive information patrons enter on these workstations. As the IT manager for the Johnson County Library in Kansas City, Kan., this author is challenged to make sure that thousands of patrons get the access…

  11. The Computer as an Aid to Public Relations Writing.

    ERIC Educational Resources Information Center

    Rayfield, Robert E.

    Teachers of public relations and other communication areas, with endorsement from the Association for Education in Journalism and Mass Communication (AEJMC), should request the data processing industry to develop assisted instruction programs in journalistic writing. Such action would provide a clearly defined need for a significant market and…

  12. Computational Methods for Collisional Plasma Physics

    SciTech Connect

    Lasinski, B F; Larson, D J; Hewett, D W; Langdon, A B; Still, C H

    2004-02-18

    Modeling the high density, high temperature plasmas produced by intense laser or particle beams requires accurate simulation of a large range of plasma collisionality. Current simulation algorithms accurately and efficiently model collisionless and collision-dominated plasmas. The important parameter regime between these extremes, semi-collisional plasmas, has been inadequately addressed to date. LLNL efforts to understand and harness high energy-density physics phenomena for stockpile stewardship require accurate simulation of such plasmas. We have made significant progress towards our goal: building a new modeling capability to accurately simulate the full range of collisional plasma physics phenomena. Our project has developed a computer model using a two-pronged approach that involves a new adaptive-resolution, ''smart'' particle-in-cell algorithm: complex particle kinetics (CPK); and developing a robust 3D massively parallel plasma production code Z3 with collisional extensions. Our new CPK algorithms expand the function of point particles in traditional plasma PIC models by including finite size and internal dynamics. This project has enhanced LLNL's competency in computational plasma physics and contributed to LLNL's expertise and forefront position in plasma modeling. The computational models developed will be applied to plasma problems of interest to LLNL's stockpile stewardship mission. Such problems include semi-collisional behavior in hohlraums, high-energy-density physics experiments, and the physics of high altitude nuclear explosions (HANE). Over the course of this LDRD project, the world's largest fully electromagnetic PIC calculation was run, enabled by the adaptation of Z3 to the Advanced Simulation and Computing (ASCI) White system. This milestone calculation simulated an entire laser illumination speckle, brought new realism to laser-plasma interaction simulations, and was directly applicable to laser target physics. For the first time, magnetic

  13. Computational Methods for Analyzing Health News Coverage

    ERIC Educational Resources Information Center

    McFarlane, Delano J.

    2011-01-01

    Researchers that investigate the media's coverage of health have historically relied on keyword searches to retrieve relevant health news coverage, and manual content analysis methods to categorize and score health news text. These methods are problematic. Manual content analysis methods are labor intensive, time consuming, and inherently…

  14. The ACLS Survey of Scholars: Views on Publications, Computers, Libraries.

    ERIC Educational Resources Information Center

    Morton, Herbert C.; Price, Anne Jamieson

    1986-01-01

    Reviews results of a survey by the American Council of Learned Societies (ACLS) of 3,835 scholars in the humanities and social sciences who are working both in colleges and universities and outside the academic community. Areas highlighted include professional reading, authorship patterns, computer use, and library use. (LRW)

  15. Computers in Public Schools: Changing the Image with Image Processing.

    ERIC Educational Resources Information Center

    Raphael, Jacqueline; Greenberg, Richard

    1995-01-01

    The kinds of educational technologies selected can make the difference between uninspired, rote computer use and challenging learning experiences. University of Arizona's Image Processing for Teaching Project has worked with over 1,000 teachers to develop image-processing techniques that provide students with exciting, open-ended opportunities for…

  16. Computational complexity for the two-point block method

    NASA Astrophysics Data System (ADS)

    See, Phang Pei; Majid, Zanariah Abdul

    2014-12-01

    In this paper, we discussed and compared the computational complexity for two-point block method and one-point method of Adams type. The computational complexity for both methods is determined based on the number of arithmetic operations performed and expressed in O(n). These two methods will be used to solve two-point second order boundary value problem directly and implemented using variable step size strategy adapted with the multiple shooting technique via three-step iterative method. Two numerical examples will be tested. The results show that the computational complexity of these methods is reliable to estimate the cost of these methods in term of the execution time. We conclude that the two-point block method has better computational performance compare to the one-point method as the total number of steps is larger.

  17. Study of basic computer competence among public health nurses in Taiwan.

    PubMed

    Yang, Kuei-Feng; Yu, Shu; Lin, Ming-Sheng; Hsu, Chia-Ling

    2004-03-01

    Rapid advances in information technology and media have made distance learning on the Internet possible. This new model of learning allows greater efficiency and flexibility in knowledge acquisition. Since basic computer competence is a prerequisite for this new learning model, this study was conducted to examine the basic computer competence of public health nurses in Taiwan and explore factors influencing computer competence. A national cross-sectional randomized study was conducted with 329 public health nurses. A questionnaire was used to collect data and was delivered by mail. Results indicate that basic computer competence of public health nurses in Taiwan is still needs to be improved (mean = 57.57 +- 2.83, total score range from 26-130). Among the five most frequently used software programs, nurses were most knowledgeable about Word and least knowledgeable about PowerPoint. Stepwise multiple regression analysis revealed eight variables (weekly number of hours spent online at home, weekly amount of time spent online at work, weekly frequency of computer use at work, previous computer training, computer at workplace and Internet access, job position, education level, and age) that significantly influenced computer competence, which accounted for 39.0 % of the variance. In conclusion, greater computer competence, broader educational programs regarding computer technology, and a greater emphasis on computers at work are necessary to increase the usefulness of distance learning via the Internet in Taiwan. Building a user-friendly environment is important in developing this new media model of learning for the future. PMID:15136958

  18. An experimental unification of reservoir computing methods.

    PubMed

    Verstraeten, D; Schrauwen, B; D'Haene, M; Stroobandt, D

    2007-04-01

    Three different uses of a recurrent neural network (RNN) as a reservoir that is not trained but instead read out by a simple external classification layer have been described in the literature: Liquid State Machines (LSMs), Echo State Networks (ESNs) and the Backpropagation Decorrelation (BPDC) learning rule. Individual descriptions of these techniques exist, but a overview is still lacking. Here, we present a series of experimental results that compares all three implementations, and draw conclusions about the relation between a broad range of reservoir parameters and network dynamics, memory, node complexity and performance on a variety of benchmark tests with different characteristics. Next, we introduce a new measure for the reservoir dynamics based on Lyapunov exponents. Unlike previous measures in the literature, this measure is dependent on the dynamics of the reservoir in response to the inputs, and in the cases we tried, it indicates an optimal value for the global scaling of the weight matrix, irrespective of the standard measures. We also describe the Reservoir Computing Toolbox that was used for these experiments, which implements all the types of Reservoir Computing and allows the easy simulation of a wide range of reservoir topologies for a number of benchmarks.

  19. Computational methods for aerodynamic design using numerical optimization

    NASA Technical Reports Server (NTRS)

    Peeters, M. F.

    1983-01-01

    Five methods to increase the computational efficiency of aerodynamic design using numerical optimization, by reducing the computer time required to perform gradient calculations, are examined. The most promising method consists of drastically reducing the size of the computational domain on which aerodynamic calculations are made during gradient calculations. Since a gradient calculation requires the solution of the flow about an airfoil whose geometry was slightly perturbed from a base airfoil, the flow about the base airfoil is used to determine boundary conditions on the reduced computational domain. This method worked well in subcritical flow.

  20. 12 CFR 227.25 - Unfair balance computation method.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... under 12 CFR 226.12 or 12 CFR 226.13; or (2) Adjustments to finance charges as a result of the return of... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Unfair balance computation method. 227.25... Practices Rule § 227.25 Unfair balance computation method. (a) General rule. Except as provided in...

  1. Overview of computational structural methods for modern military aircraft

    NASA Technical Reports Server (NTRS)

    Kudva, J. N.

    1992-01-01

    Computational structural methods are essential for designing modern military aircraft. This briefing deals with computational structural methods (CSM) currently used. First a brief summary of modern day aircraft structural design procedures is presented. Following this, several ongoing CSM related projects at Northrop are discussed. Finally, shortcomings in this area, future requirements, and summary remarks are given.

  2. 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.

  3. Lattice gas methods for computational aeroacoustics

    NASA Technical Reports Server (NTRS)

    Sparrow, Victor W.

    1995-01-01

    This paper presents the lattice gas solution to the category 1 problems of the ICASE/LaRC Workshop on Benchmark Problems in Computational Aeroacoustics. The first and second problems were solved for Delta t = Delta x = 1, and additionally the second problem was solved for Delta t = 1/4 and Delta x = 1/2. The results are striking: even for these large time and space grids the lattice gas numerical solutions are almost indistinguishable from the analytical solutions. A simple bug in the Mathematica code was found in the solutions submitted for comparison, and the comparison plots shown at the end of this volume show the bug. An Appendix to the present paper shows an example lattice gas solution with and without the bug.

  4. COMSAC: Computational Methods for Stability and Control. Part 1

    NASA Technical Reports Server (NTRS)

    Fremaux, C. Michael (Compiler); Hall, Robert M. (Compiler)

    2004-01-01

    Work on stability and control included the following reports:Introductory Remarks; Introduction to Computational Methods for Stability and Control (COMSAC); Stability & Control Challenges for COMSAC: a NASA Langley Perspective; Emerging CFD Capabilities and Outlook A NASA Langley Perspective; The Role for Computational Fluid Dynamics for Stability and Control:Is it Time?; Northrop Grumman Perspective on COMSAC; Boeing Integrated Defense Systems Perspective on COMSAC; Computational Methods in Stability and Control:WPAFB Perspective; Perspective: Raytheon Aircraft Company; A Greybeard's View of the State of Aerodynamic Prediction; Computational Methods for Stability and Control: A Perspective; Boeing TacAir Stability and Control Issues for Computational Fluid Dynamics; NAVAIR S&C Issues for CFD; An S&C Perspective on CFD; Issues, Challenges & Payoffs: A Boeing User s Perspective on CFD for S&C; and Stability and Control in Computational Simulations for Conceptual and Preliminary Design: the Past, Today, and Future?

  5. The Use of Public Computing Facilities by Library Patrons: Demography, Motivations, and Barriers

    ERIC Educational Resources Information Center

    DeMaagd, Kurt; Chew, Han Ei; Huang, Guanxiong; Khan, M. Laeeq; Sreenivasan, Akshaya; LaRose, Robert

    2013-01-01

    Public libraries play an important part in the development of a community. Today, they are seen as more than store houses of books; they are also responsible for the dissemination of online, and offline information. Public access computers are becoming increasingly popular as more and more people understand the need for internet access. Using a…

  6. 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.

  7. Public Experiments and their Analysis with the Replication Method

    NASA Astrophysics Data System (ADS)

    Heering, Peter

    2007-06-01

    One of those who failed to establish himself as a natural philosopher in 18th century Paris was the future revolutionary Jean Paul Marat. He did not only publish several monographs on heat, optics and electricity in which he attempted to characterise his work as being purely empirical but he also tried to establish himself as a public lecturer. From the analysis of his experiments using the replication method it became obvious that the written description is missing several relevant aspects of the experiments. In my paper, I am going to discuss the experiences made in analysing these experiments and will suggest possible relations between these publications and the public demonstrations.

  8. Assessment of gene order computing methods for Alzheimer's disease

    PubMed Central

    2013-01-01

    Background Computational genomics of Alzheimer disease (AD), the most common form of senile dementia, is a nascent field in AD research. The field includes AD gene clustering by computing gene order which generates higher quality gene clustering patterns than most other clustering methods. However, there are few available gene order computing methods such as Genetic Algorithm (GA) and Ant Colony Optimization (ACO). Further, their performance in gene order computation using AD microarray data is not known. We thus set forth to evaluate the performances of current gene order computing methods with different distance formulas, and to identify additional features associated with gene order computation. Methods Using different distance formulas- Pearson distance and Euclidean distance, the squared Euclidean distance, and other conditions, gene orders were calculated by ACO and GA (including standard GA and improved GA) methods, respectively. The qualities of the gene orders were compared, and new features from the calculated gene orders were identified. Results Compared to the GA methods tested in this study, ACO fits the AD microarray data the best when calculating gene order. In addition, the following features were revealed: different distance formulas generated a different quality of gene order, and the commonly used Pearson distance was not the best distance formula when used with both GA and ACO methods for AD microarray data. Conclusion Compared with Pearson distance and Euclidean distance, the squared Euclidean distance generated the best quality gene order computed by GA and ACO methods. PMID:23369541

  9. Method for transferring data from an unsecured computer to a secured computer

    DOEpatents

    Nilsen, Curt A.

    1997-01-01

    A method is described for transferring data from an unsecured computer to a secured computer. The method includes transmitting the data and then receiving the data. Next, the data is retransmitted and rereceived. Then, it is determined if errors were introduced when the data was transmitted by the unsecured computer or received by the secured computer. Similarly, it is determined if errors were introduced when the data was retransmitted by the unsecured computer or rereceived by the secured computer. A warning signal is emitted from a warning device coupled to the secured computer if (i) an error was introduced when the data was transmitted or received, and (ii) an error was introduced when the data was retransmitted or rereceived.

  10. 36 CFR 1254.32 - What rules apply to public access use of the Internet on NARA-supplied computers?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... access use of the Internet on NARA-supplied computers? 1254.32 Section 1254.32 Parks, Forests, and Public... of the Internet on NARA-supplied computers? (a) Public access computers (workstations) are available... use personally owned diskettes on NARA personal computers. You may not load files or any type...

  11. 36 CFR 1254.32 - What rules apply to public access use of the Internet on NARA-supplied computers?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... access use of the Internet on NARA-supplied computers? 1254.32 Section 1254.32 Parks, Forests, and Public... of the Internet on NARA-supplied computers? (a) Public access computers (workstations) are available... use personally owned diskettes on NARA personal computers. You may not load files or any type...

  12. 36 CFR 1254.32 - What rules apply to public access use of the Internet on NARA-supplied computers?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... access use of the Internet on NARA-supplied computers? 1254.32 Section 1254.32 Parks, Forests, and Public... of the Internet on NARA-supplied computers? (a) Public access computers (workstations) are available... use personally owned diskettes on NARA personal computers. You may not load files or any type...

  13. 36 CFR 1254.32 - What rules apply to public access use of the Internet on NARA-supplied computers?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... access use of the Internet on NARA-supplied computers? 1254.32 Section 1254.32 Parks, Forests, and Public... of the Internet on NARA-supplied computers? (a) Public access computers (workstations) are available... use personally owned diskettes on NARA personal computers. You may not load files or any type...

  14. 36 CFR 1254.32 - What rules apply to public access use of the Internet on NARA-supplied computers?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... access use of the Internet on NARA-supplied computers? 1254.32 Section 1254.32 Parks, Forests, and Public... of the Internet on NARA-supplied computers? (a) Public access computers (workstations) are available... use personally owned diskettes on NARA personal computers. You may not load files or any type...

  15. Transonic Flow Computations Using Nonlinear Potential Methods

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.; Kwak, Dochan (Technical Monitor)

    2000-01-01

    This presentation describes the state of transonic flow simulation using nonlinear potential methods for external aerodynamic applications. The presentation begins with a review of the various potential equation forms (with emphasis on the full potential equation) and includes a discussion of pertinent mathematical characteristics and all derivation assumptions. Impact of the derivation assumptions on simulation accuracy, especially with respect to shock wave capture, is discussed. Key characteristics of all numerical algorithm types used for solving nonlinear potential equations, including steady, unsteady, space marching, and design methods, are described. Both spatial discretization and iteration scheme characteristics are examined. Numerical results for various aerodynamic applications are included throughout the presentation to highlight key discussion points. The presentation ends with concluding remarks and recommendations for future work. Overall. nonlinear potential solvers are efficient, highly developed and routinely used in the aerodynamic design environment for cruise conditions. Published by Elsevier Science Ltd. All rights reserved.

  16. A comparison of skyshine computational methods.

    PubMed

    Hertel, Nolan E; Sweezy, Jeremy E; Shultis, J Kenneth; Warkentin, J Karl; Rose, Zachary J

    2005-01-01

    A variety of methods employing radiation transport and point-kernel codes have been used to model two skyshine problems. The first problem is a 1 MeV point source of photons on the surface of the earth inside a 2 m tall and 1 m radius silo having black walls. The skyshine radiation downfield from the point source was estimated with and without a 30-cm-thick concrete lid on the silo. The second benchmark problem is to estimate the skyshine radiation downfield from 12 cylindrical canisters emplaced in a low-level radioactive waste trench. The canisters are filled with ion-exchange resin with a representative radionuclide loading, largely 60Co, 134Cs and 137Cs. The solution methods include use of the MCNP code to solve the problem by directly employing variance reduction techniques, the single-scatter point kernel code GGG-GP, the QADMOD-GP point kernel code, the COHORT Monte Carlo code, the NAC International version of the SKYSHINE-III code, the KSU hybrid method and the associated KSU skyshine codes.

  17. Analytical and numerical methods; advanced computer concepts

    SciTech Connect

    Lax, P D

    1991-03-01

    This past year, two projects have been completed and a new is under way. First, in joint work with R. Kohn, we developed a numerical algorithm to study the blowup of solutions to equations with certain similarity transformations. In the second project, the adaptive mesh refinement code of Berger and Colella for shock hydrodynamic calculations has been parallelized and numerical studies using two different shared memory machines have been done. My current effort is towards the development of Cartesian mesh methods to solve pdes with complicated geometries. Most of the coming year will be spent on this project, which is joint work with Prof. Randy Leveque at the University of Washington in Seattle.

  18. Multiscale methods for computational RNA enzymology

    PubMed Central

    Panteva, Maria T.; Dissanayake, Thakshila; Chen, Haoyuan; Radak, Brian K.; Kuechler, Erich R.; Giambaşu, George M.; Lee, Tai-Sung; York, Darrin M.

    2016-01-01

    RNA catalysis is of fundamental importance to biology and yet remains ill-understood due to its complex nature. The multi-dimensional “problem space” of RNA catalysis includes both local and global conformational rearrangements, changes in the ion atmosphere around nucleic acids and metal ion binding, dependence on potentially correlated protonation states of key residues and bond breaking/forming in the chemical steps of the reaction. The goal of this article is to summarize and apply multiscale modeling methods in an effort to target the different parts of the RNA catalysis problem space while also addressing the limitations and pitfalls of these methods. Classical molecular dynamics (MD) simulations, reference interaction site model (RISM) calculations, constant pH molecular dynamics (CpHMD) simulations, Hamiltonian replica exchange molecular dynamics (HREMD) and quantum mechanical/molecular mechanical (QM/MM) simulations will be discussed in the context of the study of RNA backbone cleavage transesterification. This reaction is catalyzed by both RNA and protein enzymes, and here we examine the different mechanistic strategies taken by the hepatitis delta virus ribozyme (HDVr) and RNase A. PMID:25726472

  19. Computational Simulations and the Scientific Method

    NASA Technical Reports Server (NTRS)

    Kleb, Bil; Wood, Bill

    2005-01-01

    As scientific simulation software becomes more complicated, the scientific-software implementor's need for component tests from new model developers becomes more crucial. The community's ability to follow the basic premise of the Scientific Method requires independently repeatable experiments, and model innovators are in the best position to create these test fixtures. Scientific software developers also need to quickly judge the value of the new model, i.e., its cost-to-benefit ratio in terms of gains provided by the new model and implementation risks such as cost, time, and quality. This paper asks two questions. The first is whether other scientific software developers would find published component tests useful, and the second is whether model innovators think publishing test fixtures is a feasible approach.

  20. Computer systems and methods for visualizing data

    SciTech Connect

    Stolte, Chris; Hanrahan, Patrick

    2010-07-13

    A method for forming a visual plot using a hierarchical structure of a dataset. The dataset comprises a measure and a dimension. The dimension consists of a plurality of levels. The plurality of levels form a dimension hierarchy. The visual plot is constructed based on a specification. A first level from the plurality of levels is represented by a first component of the visual plot. A second level from the plurality of levels is represented by a second component of the visual plot. The dataset is queried to retrieve data in accordance with the specification. The data includes all or a portion of the dimension and all or a portion of the measure. The visual plot is populated with the retrieved data in accordance with the specification.

  1. Computer systems and methods for visualizing data

    DOEpatents

    Stolte, Chris; Hanrahan, Patrick

    2013-01-29

    A method for forming a visual plot using a hierarchical structure of a dataset. The dataset comprises a measure and a dimension. The dimension consists of a plurality of levels. The plurality of levels form a dimension hierarchy. The visual plot is constructed based on a specification. A first level from the plurality of levels is represented by a first component of the visual plot. A second level from the plurality of levels is represented by a second component of the visual plot. The dataset is queried to retrieve data in accordance with the specification. The data includes all or a portion of the dimension and all or a portion of the measure. The visual plot is populated with the retrieved data in accordance with the specification.

  2. 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.

  3. 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. PMID:25502384

  4. Customizing computational methods for visual analytics with big data.

    PubMed

    Choo, Jaegul; Park, Haesun

    2013-01-01

    The volume of available data has been growing exponentially, increasing data problem's complexity and obscurity. In response, visual analytics (VA) has gained attention, yet its solutions haven't scaled well for big data. Computational methods can improve VA's scalability by giving users compact, meaningful information about the input data. However, the significant computation time these methods require hinders real-time interactive visualization of big data. By addressing crucial discrepancies between these methods and VA regarding precision and convergence, researchers have proposed ways to customize them for VA. These approaches, which include low-precision computation and iteration-level interactive visualization, ensure real-time interactive VA for big data.

  5. Analysis of computational footprinting methods for DNase sequencing experiments.

    PubMed

    Gusmao, Eduardo G; Allhoff, Manuel; Zenke, Martin; Costa, Ivan G

    2016-04-01

    DNase-seq allows nucleotide-level identification of transcription factor binding sites on the basis of a computational search of footprint-like DNase I cleavage patterns on the DNA. Frequently in high-throughput methods, experimental artifacts such as DNase I cleavage bias affect the computational analysis of DNase-seq experiments. Here we performed a comprehensive and systematic study on the performance of computational footprinting methods. We evaluated ten footprinting methods in a panel of DNase-seq experiments for their ability to recover cell-specific transcription factor binding sites. We show that three methods--HINT, DNase2TF and PIQ--consistently outperformed the other evaluated methods and that correcting the DNase-seq signal for experimental artifacts significantly improved the accuracy of computational footprints. We also propose a score that can be used to detect footprints arising from transcription factors with potentially short residence times.

  6. Low-Rank Incremental Methods for Computing Dominant Singular Subspaces

    SciTech Connect

    Baker, Christopher G; Gallivan, Dr. Kyle A; Van Dooren, Dr. Paul

    2012-01-01

    Computing the singular values and vectors of a matrix is a crucial kernel in numerous scientific and industrial applications. As such, numerous methods have been proposed to handle this problem in a computationally efficient way. This paper considers a family of methods for incrementally computing the dominant SVD of a large matrix A. Specifically, we describe a unification of a number of previously disparate methods for approximating the dominant SVD via a single pass through A. We tie the behavior of these methods to that of a class of optimization-based iterative eigensolvers on A'*A. An iterative procedure is proposed which allows the computation of an accurate dominant SVD via multiple passes through A. We present an analysis of the convergence of this iteration, and provide empirical demonstration of the proposed method on both synthetic and benchmark data.

  7. Evolutionary Computational Methods for Identifying Emergent Behavior in Autonomous Systems

    NASA Technical Reports Server (NTRS)

    Terrile, Richard J.; Guillaume, Alexandre

    2011-01-01

    A technique based on Evolutionary Computational Methods (ECMs) was developed that allows for the automated optimization of complex computationally modeled systems, such as autonomous systems. The primary technology, which enables the ECM to find optimal solutions in complex search spaces, derives from evolutionary algorithms such as the genetic algorithm and differential evolution. These methods are based on biological processes, particularly genetics, and define an iterative process that evolves parameter sets into an optimum. Evolutionary computation is a method that operates on a population of existing computational-based engineering models (or simulators) and competes them using biologically inspired genetic operators on large parallel cluster computers. The result is the ability to automatically find design optimizations and trades, and thereby greatly amplify the role of the system engineer.

  8. Information Dissemination of Public Health Emergency on Social Networks and Intelligent Computation

    PubMed Central

    Hu, Hongzhi; Mao, Huajuan; Hu, Xiaohua; Hu, Feng; Sun, Xuemin; Jing, Zaiping; Duan, Yunsuo

    2015-01-01

    Due to the extensive social influence, public health emergency has attracted great attention in today's society. The booming social network is becoming a main information dissemination platform of those events and caused high concerns in emergency management, among which a good prediction of information dissemination in social networks is necessary for estimating the event's social impacts and making a proper strategy. However, information dissemination is largely affected by complex interactive activities and group behaviors in social network; the existing methods and models are limited to achieve a satisfactory prediction result due to the open changeable social connections and uncertain information processing behaviors. ACP (artificial societies, computational experiments, and parallel execution) provides an effective way to simulate the real situation. In order to obtain better information dissemination prediction in social networks, this paper proposes an intelligent computation method under the framework of TDF (Theory-Data-Feedback) based on ACP simulation system which was successfully applied to the analysis of A (H1N1) Flu emergency. PMID:26609303

  9. Information Dissemination of Public Health Emergency on Social Networks and Intelligent Computation.

    PubMed

    Hu, Hongzhi; Mao, Huajuan; Hu, Xiaohua; Hu, Feng; Sun, Xuemin; Jing, Zaiping; Duan, Yunsuo

    2015-01-01

    Due to the extensive social influence, public health emergency has attracted great attention in today's society. The booming social network is becoming a main information dissemination platform of those events and caused high concerns in emergency management, among which a good prediction of information dissemination in social networks is necessary for estimating the event's social impacts and making a proper strategy. However, information dissemination is largely affected by complex interactive activities and group behaviors in social network; the existing methods and models are limited to achieve a satisfactory prediction result due to the open changeable social connections and uncertain information processing behaviors. ACP (artificial societies, computational experiments, and parallel execution) provides an effective way to simulate the real situation. In order to obtain better information dissemination prediction in social networks, this paper proposes an intelligent computation method under the framework of TDF (Theory-Data-Feedback) based on ACP simulation system which was successfully applied to the analysis of A (H1N1) Flu emergency. PMID:26609303

  10. Information Dissemination of Public Health Emergency on Social Networks and Intelligent Computation.

    PubMed

    Hu, Hongzhi; Mao, Huajuan; Hu, Xiaohua; Hu, Feng; Sun, Xuemin; Jing, Zaiping; Duan, Yunsuo

    2015-01-01

    Due to the extensive social influence, public health emergency has attracted great attention in today's society. The booming social network is becoming a main information dissemination platform of those events and caused high concerns in emergency management, among which a good prediction of information dissemination in social networks is necessary for estimating the event's social impacts and making a proper strategy. However, information dissemination is largely affected by complex interactive activities and group behaviors in social network; the existing methods and models are limited to achieve a satisfactory prediction result due to the open changeable social connections and uncertain information processing behaviors. ACP (artificial societies, computational experiments, and parallel execution) provides an effective way to simulate the real situation. In order to obtain better information dissemination prediction in social networks, this paper proposes an intelligent computation method under the framework of TDF (Theory-Data-Feedback) based on ACP simulation system which was successfully applied to the analysis of A (H1N1) Flu emergency.

  11. The Importance of Computer Science for Public Health Training: An Opportunity and Call to Action.

    PubMed

    Kunkle, Sarah; Christie, Gillian; Yach, Derek; El-Sayed, Abdulrahman M

    2016-01-01

    A century ago, the Welch-Rose Report established a public health education system in the United States. Since then, the system has evolved to address emerging health needs and integrate new technologies. Today, personalized health technologies generate large amounts of data. Emerging computer science techniques, such as machine learning, present an opportunity to extract insights from these data that could help identify high-risk individuals and tailor health interventions and recommendations. As these technologies play a larger role in health promotion, collaboration between the public health and technology communities will become the norm. Offering public health trainees coursework in computer science alongside traditional public health disciplines will facilitate this evolution, improving public health's capacity to harness these technologies to improve population health.

  12. The Importance of Computer Science for Public Health Training: An Opportunity and Call to Action.

    PubMed

    Kunkle, Sarah; Christie, Gillian; Yach, Derek; El-Sayed, Abdulrahman M

    2016-01-01

    A century ago, the Welch-Rose Report established a public health education system in the United States. Since then, the system has evolved to address emerging health needs and integrate new technologies. Today, personalized health technologies generate large amounts of data. Emerging computer science techniques, such as machine learning, present an opportunity to extract insights from these data that could help identify high-risk individuals and tailor health interventions and recommendations. As these technologies play a larger role in health promotion, collaboration between the public health and technology communities will become the norm. Offering public health trainees coursework in computer science alongside traditional public health disciplines will facilitate this evolution, improving public health's capacity to harness these technologies to improve population health. PMID:27227145

  13. The Importance of Computer Science for Public Health Training: An Opportunity and Call to Action

    PubMed Central

    Christie, Gillian; Yach, Derek; El-Sayed, Abdulrahman M

    2016-01-01

    A century ago, the Welch-Rose Report established a public health education system in the United States. Since then, the system has evolved to address emerging health needs and integrate new technologies. Today, personalized health technologies generate large amounts of data. Emerging computer science techniques, such as machine learning, present an opportunity to extract insights from these data that could help identify high-risk individuals and tailor health interventions and recommendations. As these technologies play a larger role in health promotion, collaboration between the public health and technology communities will become the norm. Offering public health trainees coursework in computer science alongside traditional public health disciplines will facilitate this evolution, improving public health’s capacity to harness these technologies to improve population health. PMID:27227145

  14. [Mixed methods research in public health: issues and illustration].

    PubMed

    Guével, Marie-Renée; Pommier, Jeanine

    2012-01-01

    For many years, researchers in a range of fields have combined quantitative and qualitative methods. However, the combined use of quantitative and qualitative methods has only recently been conceptualized and defined as mixed methods research. Some authors have described the emerging field as a third methodological tradition (in addition to the qualitative and quantitative traditions). Mixed methods research combines different perspectives and facilitates the study of complex interventions or programs, particularly in public health, an area where interdisciplinarity is critical. However, the existing literature is primarily in English. By contrast, the literature in French remains limited. The purpose of this paper is to present the emergence of mixed methods research for francophone public health specialists. A literature review was conducted to identify the main characteristics of mixed methods research. The results provide an overall picture of the mixed methods approach through its history, definitions, and applications, and highlight the tools developed to clarify the approach (typologies) and to implement it (integration of results and quality standards). The tools highlighted in the literature review are illustrated by a study conducted in France. Mixed methods research opens new possibilities for examining complex research questions and provides relevant and promising opportunities for addressing current public health issues in France.

  15. Computational methods for internal flows with emphasis on turbomachinery

    NASA Technical Reports Server (NTRS)

    Mcnally, W. D.; Sockol, P. M.

    1981-01-01

    Current computational methods for analyzing flows in turbomachinery and other related internal propulsion components are presented. The methods are divided into two classes. The inviscid methods deal specifically with turbomachinery applications. Viscous methods, deal with generalized duct flows as well as flows in turbomachinery passages. Inviscid methods are categorized into the potential, stream function, and Euler aproaches. Viscous methods are treated in terms of parabolic, partially parabolic, and elliptic procedures. Various grids used in association with these procedures are also discussed.

  16. GAP Noise Computation By The CE/SE Method

    NASA Technical Reports Server (NTRS)

    Loh, Ching Y.; Chang, Sin-Chung; Wang, Xiao Y.; Jorgenson, Philip C. E.

    2001-01-01

    A typical gap noise problem is considered in this paper using the new space-time conservation element and solution element (CE/SE) method. Implementation of the computation is straightforward. No turbulence model, LES (large eddy simulation) or a preset boundary layer profile is used, yet the computed frequency agrees well with the experimental one.

  17. Platform-independent method for computer aided schematic drawings

    DOEpatents

    Vell, Jeffrey L.; Siganporia, Darius M.; Levy, Arthur J.

    2012-02-14

    A CAD/CAM method is disclosed for a computer system to capture and interchange schematic drawing and associated design information. The schematic drawing and design information are stored in an extensible, platform-independent format.

  18. 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.

  19. Naive vs. Sophisticated Methods of Forecasting Public Library Circulations.

    ERIC Educational Resources Information Center

    Brooks, Terrence A.

    1984-01-01

    Two sophisticated--autoregressive integrated moving average (ARIMA), straight-line regression--and two naive--simple average, monthly average--forecasting techniques were used to forecast monthly circulation totals of 34 public libraries. Comparisons of forecasts and actual totals revealed that ARIMA and monthly average methods had smallest mean…

  20. Aircraft Engine Gas Path Diagnostic Methods: Public Benchmarking Results

    NASA Technical Reports Server (NTRS)

    Simon, Donald L.; Borguet, Sebastien; Leonard, Olivier; Zhang, Xiaodong (Frank)

    2013-01-01

    Recent technology reviews have identified the need for objective assessments of aircraft engine health management (EHM) technologies. To help address this issue, a gas path diagnostic benchmark problem has been created and made publicly available. This software tool, referred to as the Propulsion Diagnostic Method Evaluation Strategy (ProDiMES), has been constructed based on feedback provided by the aircraft EHM community. It provides a standard benchmark problem enabling users to develop, evaluate and compare diagnostic methods. This paper will present an overview of ProDiMES along with a description of four gas path diagnostic methods developed and applied to the problem. These methods, which include analytical and empirical diagnostic techniques, will be described and associated blind-test-case metric results will be presented and compared. Lessons learned along with recommendations for improving the public benchmarking processes will also be presented and discussed.

  1. Method and computer program product for maintenance and modernization backlogging

    DOEpatents

    Mattimore, Bernard G; Reynolds, Paul E; Farrell, Jill M

    2013-02-19

    According to one embodiment, a computer program product for determining future facility conditions includes a computer readable medium having computer readable program code stored therein. The computer readable program code includes computer readable program code for calculating a time period specific maintenance cost, for calculating a time period specific modernization factor, and for calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. In another embodiment, a computer-implemented method for calculating future facility conditions includes calculating a time period specific maintenance cost, calculating a time period specific modernization factor, and calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. Other embodiments are also presented.

  2. Review of parallel computing methods and tools for FPGA technology

    NASA Astrophysics Data System (ADS)

    Cieszewski, Radosław; Linczuk, Maciej; Pozniak, Krzysztof; Romaniuk, Ryszard

    2013-10-01

    Parallel computing is emerging as an important area of research in computer architectures and software systems. Many algorithms can be greatly accelerated using parallel computing techniques. Specialized parallel computer architectures are used for accelerating speci c tasks. High-Energy Physics Experiments measuring systems often use FPGAs for ne-grained computation. FPGA combines many bene ts of both software and ASIC implementations. Like software, the mapped circuit is exible, and can be recon gured over the lifetime of the system. FPGAs therefore have the potential to achieve far greater performance than software as a result of bypassing the fetch-decode-execute operations of traditional processors, and possibly exploiting a greater level of parallelism. Creating parallel programs implemented in FPGAs is not trivial. This paper presents existing methods and tools for ne-grained computation implemented in FPGA using Behavioral Description and High Level Programming Languages.

  3. A Computer Assisted Problem Solving Method for Beginning Chemistry Students.

    ERIC Educational Resources Information Center

    Powers, Michael H.

    1984-01-01

    Outlines a problem-solving method for beginning chemistry students that utilizes specific, concrete steps as well as computer-assisted tutorials. The method involves an approach referred to as the Factor-Unit Method coupled with a graphical "road map" which allows students to trace problems from start to finish. (JN)

  4. Atomistic Method Applied to Computational Modeling of Surface Alloys

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo H.; Abel, Phillip B.

    2000-01-01

    The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on

  5. Convergence acceleration of the Proteus computer code with multigrid methods

    NASA Technical Reports Server (NTRS)

    Demuren, A. O.; Ibraheem, S. O.

    1992-01-01

    Presented here is the first part of a study to implement convergence acceleration techniques based on the multigrid concept in the Proteus computer code. A review is given of previous studies on the implementation of multigrid methods in computer codes for compressible flow analysis. Also presented is a detailed stability analysis of upwind and central-difference based numerical schemes for solving the Euler and Navier-Stokes equations. Results are given of a convergence study of the Proteus code on computational grids of different sizes. The results presented here form the foundation for the implementation of multigrid methods in the Proteus code.

  6. Computer algebra methods in the study of nonlinear differential systems

    NASA Astrophysics Data System (ADS)

    Irtegov, V. D.; Titorenko, T. N.

    2013-06-01

    Some issues concerning computer algebra methods as applied to the qualitative analysis of differential equations with first integrals are discussed. The problems of finding stationary sets and analyzing their stability and bifurcations are considered. Special attention is given to algorithms for finding and analyzing peculiar stationary sets. It is shown that computer algebra tools, combined with qualitative analysis methods for differential equations, make it possible not only to enhance the computational efficiency of classical algorithms, but also to implement new approaches to the solution of well-known problems and, in this way, to obtain new results.

  7. Methods for operating parallel computing systems employing sequenced communications

    DOEpatents

    Benner, R.E.; Gustafson, J.L.; Montry, G.R.

    1999-08-10

    A parallel computing system and method are disclosed having improved performance where a program is concurrently run on a plurality of nodes for reducing total processing time, each node having a processor, a memory, and a predetermined number of communication channels connected to the node and independently connected directly to other nodes. The present invention improves performance of the parallel computing system by providing a system which can provide efficient communication between the processors and between the system and input and output devices. A method is also disclosed which can locate defective nodes with the computing system. 15 figs.

  8. Methods for operating parallel computing systems employing sequenced communications

    DOEpatents

    Benner, Robert E.; Gustafson, John L.; Montry, Gary R.

    1999-01-01

    A parallel computing system and method having improved performance where a program is concurrently run on a plurality of nodes for reducing total processing time, each node having a processor, a memory, and a predetermined number of communication channels connected to the node and independently connected directly to other nodes. The present invention improves performance of performance of the parallel computing system by providing a system which can provide efficient communication between the processors and between the system and input and output devices. A method is also disclosed which can locate defective nodes with the computing system.

  9. A Quantitative Method for Estimating Probable Public Costs of Hurricanes.

    PubMed

    BOSWELL; DEYLE; SMITH; BAKER

    1999-04-01

    / A method is presented for estimating probable public costs resulting from damage caused by hurricanes, measured as local government expenditures approved for reimbursement under the Stafford Act Section 406 Public Assistance Program. The method employs a multivariate model developed through multiple regression analysis of an array of independent variables that measure meteorological, socioeconomic, and physical conditions related to the landfall of hurricanes within a local government jurisdiction. From the regression analysis we chose a log-log (base 10) model that explains 74% of the variance in the expenditure data using population and wind speed as predictors. We illustrate application of the method for a local jurisdiction-Lee County, Florida, USA. The results show that potential public costs range from $4.7 million for a category 1 hurricane with winds of 137 kilometers per hour (85 miles per hour) to $130 million for a category 5 hurricane with winds of 265 kilometers per hour (165 miles per hour). Based on these figures, we estimate expected annual public costs of $2.3 million. These cost estimates: (1) provide useful guidance for anticipating the magnitude of the federal, state, and local expenditures that would be required for the array of possible hurricanes that could affect that jurisdiction; (2) allow policy makers to assess the implications of alternative federal and state policies for providing public assistance to jurisdictions that experience hurricane damage; and (3) provide information needed to develop a contingency fund or other financial mechanism for assuring that the community has sufficient funds available to meet its obligations. KEY WORDS: Hurricane; Public costs; Local government; Disaster recovery; Disaster response; Florida; Stafford Act

  10. A Comparative Assessment of Computer Literacy of Private and Public Secondary School Students in Lagos State, Nigeria

    ERIC Educational Resources Information Center

    Osunwusi, Adeyinka Olumuyiwa; Abifarin, Michael Segun

    2013-01-01

    The aim of this study was to conduct a comparative assessment of computer literacy of private and public secondary school students. Although the definition of computer literacy varies widely, this study treated computer literacy in terms of access to, and use of, computers and the internet, basic knowledge and skills required to use computers and…

  11. An efficient method for computation of the manipulator inertia matrix

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1989-01-01

    An efficient method of computation of the manipulator inertia matrix is presented. Using spatial notations, the method leads to the definition of the composite rigid-body spatial inertia, which is a spatial representation of the notion of augmented body. The previously proposed methods, the physical interpretations leading to their derivation, and their redundancies are analyzed. The proposed method achieves a greater efficiency by eliminating the redundancy in the intrinsic equations as well as by a better choice of coordinate frame for their projection. In this case, removing the redundancy leads to greater efficiency of the computation in both serial and parallel senses.

  12. Democratizing Computer Science Knowledge: Transforming the Face of Computer Science through Public High School Education

    ERIC Educational Resources Information Center

    Ryoo, Jean J.; Margolis, Jane; Lee, Clifford H.; Sandoval, Cueponcaxochitl D. M.; Goode, Joanna

    2013-01-01

    Despite the fact that computer science (CS) is the driver of technological innovations across all disciplines and aspects of our lives, including participatory media, high school CS too commonly fails to incorporate the perspectives and concerns of low-income students of color. This article describes a partnership program -- Exploring Computer…

  13. A typology of health marketing research methods--combining public relations methods with organizational concern.

    PubMed

    Rotarius, Timothy; Wan, Thomas T H; Liberman, Aaron

    2007-01-01

    Research plays a critical role throughout virtually every conduit of the health services industry. The key terms of research, public relations, and organizational interests are discussed. Combining public relations as a strategic methodology with the organizational concern as a factor, a typology of four different research methods emerges. These four health marketing research methods are: investigative, strategic, informative, and verification. The implications of these distinct and contrasting research methods are examined.

  14. A typology of health marketing research methods--combining public relations methods with organizational concern.

    PubMed

    Rotarius, Timothy; Wan, Thomas T H; Liberman, Aaron

    2007-01-01

    Research plays a critical role throughout virtually every conduit of the health services industry. The key terms of research, public relations, and organizational interests are discussed. Combining public relations as a strategic methodology with the organizational concern as a factor, a typology of four different research methods emerges. These four health marketing research methods are: investigative, strategic, informative, and verification. The implications of these distinct and contrasting research methods are examined. PMID:19042536

  15. Computing Binary Black Hole Initial Data with Discontinuous Galerkin Methods

    NASA Astrophysics Data System (ADS)

    Vincent, Trevor; Pfeiffer, Harald

    2016-03-01

    Discontinuous Galerkin (DG) finite element methods have been used to solve hyperbolic PDEs in relativistic simulations and offer advantages over traditional discretization methods. Comparatively little attention has been given towards using the DG method to solve the elliptic PDEs arising from the Einstein initial data equations. We describe how the DG method can be used to create a parallel, adaptive solver for initial data. We discuss the use of our dG code to compute puncture initial data for binary black holes.

  16. Integrating Publicly Available Data to Generate Computationally Predicted Adverse Outcome Pathways for Fatty Liver.

    PubMed

    Bell, Shannon M; Angrish, Michelle M; Wood, Charles E; Edwards, Stephen W

    2016-04-01

    Newin vitrotesting strategies make it possible to design testing batteries for large numbers of environmental chemicals. Full utilization of the results requires knowledge of the underlying biological networks and the adverse outcome pathways (AOPs) that describe the route from early molecular perturbations to an adverse outcome. Curation of a formal AOP is a time-intensive process and a rate-limiting step to designing these test batteries. Here, we describe a method for integrating publicly available data in order to generate computationally predicted AOP (cpAOP) scaffolds, which can be leveraged by domain experts to shorten the time for formal AOP development. A network-based workflow was used to facilitate the integration of multiple data types to generate cpAOPs. Edges between graph entities were identified through direct experimental or literature information, or computationally inferred using frequent itemset mining. Data from the TG-GATEs and ToxCast programs were used to channel large-scale toxicogenomics information into a cpAOP network (cpAOPnet) of over 20 000 relationships describing connections between chemical treatments, phenotypes, and perturbed pathways as measured by differential gene expression and high-throughput screening targets. The resulting fatty liver cpAOPnet is available as a resource to the community. Subnetworks of cpAOPs for a reference chemical (carbon tetrachloride, CCl4) and outcome (fatty liver) were compared with published mechanistic descriptions. In both cases, the computational approaches approximated the manually curated AOPs. The cpAOPnet can be used for accelerating expert-curated AOP development and to identify pathway targets that lack genomic markers or high-throughput screening tests. It can also facilitate identification of key events for designing test batteries and for classification and grouping of chemicals for follow up testing.

  17. Disk scattering and absorption by an improved computational method.

    PubMed

    Willis, T M; Weil, H

    1987-09-15

    A computer method for determining the scattering, absorption, and internal field structure of thin flat disks of arbitrary refractive index is described. The code is shown to be accurate for all angles of incidence for radii up to at least two free space wavelengths and for media ranging from pure dielectric to highly conductive ones. The accuracy of the method is assessed by comparison with published experimental data and with results computed by other methods. The applicability of this technique for analyzing clouds of disk-shaped aerosols is also discussed.

  18. Method for implementation of recursive hierarchical segmentation on parallel computers

    NASA Technical Reports Server (NTRS)

    Tilton, James C. (Inventor)

    2005-01-01

    A method, computer readable storage, and apparatus for implementing a recursive hierarchical segmentation algorithm on a parallel computing platform. The method includes setting a bottom level of recursion that defines where a recursive division of an image into sections stops dividing, and setting an intermediate level of recursion where the recursive division changes from a parallel implementation into a serial implementation. The segmentation algorithm is implemented according to the set levels. The method can also include setting a convergence check level of recursion with which the first level of recursion communicates with when performing a convergence check.

  19. Computer Subroutines for Analytic Rotation by Two Gradient Methods.

    ERIC Educational Resources Information Center

    van Thillo, Marielle

    Two computer subroutine packages for the analytic rotation of a factor matrix, A(p x m), are described. The first program uses the Flectcher (1970) gradient method, and the second uses the Polak-Ribiere (Polak, 1971) gradient method. The calculations in both programs involve the optimization of a function of free parameters. The result is a…

  20. Solution-adaptive finite element method in computational fracture mechanics

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Bass, J. M.; Spradley, L. W.

    1993-01-01

    Some recent results obtained using solution-adaptive finite element method in linear elastic two-dimensional fracture mechanics problems are presented. The focus is on the basic issue of adaptive finite element method for validating the applications of new methodology to fracture mechanics problems by computing demonstration problems and comparing the stress intensity factors to analytical results.

  1. Calculating PI Using Historical Methods and Your Personal Computer.

    ERIC Educational Resources Information Center

    Mandell, Alan

    1989-01-01

    Provides a software program for determining PI to the 15th place after the decimal. Explores the history of determining the value of PI from Archimedes to present computer methods. Investigates Wallis's, Liebniz's, and Buffon's methods. Written for Tandy GW-BASIC (IBM compatible) with 384K. Suggestions for Apple II's are given. (MVL)

  2. Methods and systems for providing reconfigurable and recoverable computing resources

    NASA Technical Reports Server (NTRS)

    Stange, Kent (Inventor); Hess, Richard (Inventor); Kelley, Gerald B (Inventor); Rogers, Randy (Inventor)

    2010-01-01

    A method for optimizing the use of digital computing resources to achieve reliability and availability of the computing resources is disclosed. The method comprises providing one or more processors with a recovery mechanism, the one or more processors executing one or more applications. A determination is made whether the one or more processors needs to be reconfigured. A rapid recovery is employed to reconfigure the one or more processors when needed. A computing system that provides reconfigurable and recoverable computing resources is also disclosed. The system comprises one or more processors with a recovery mechanism, with the one or more processors configured to execute a first application, and an additional processor configured to execute a second application different than the first application. The additional processor is reconfigurable with rapid recovery such that the additional processor can execute the first application when one of the one more processors fails.

  3. Multilevel methods for eigenspace computations in structural dynamics.

    SciTech Connect

    Arbenz, Peter; Lehoucq, Richard B.; Thornquist, Heidi K.; Bennighof, Jeff; Cochran, Bill; Hetmaniuk, Ulrich L.; Muller, Mark; Tuminaro, Raymond Stephen

    2005-01-01

    Modal analysis of three-dimensional structures frequently involves finite element discretizations with millions of unknowns and requires computing hundreds or thousands of eigenpairs. In this presentation we review methods based on domain decomposition for such eigenspace computations in structural dynamics. We distinguish approaches that solve the eigenproblem algebraically (with minimal connections to the underlying partial differential equation) from approaches that tightly couple the eigensolver with the partial differential equation.

  4. A Lanczos eigenvalue method on a parallel computer

    NASA Technical Reports Server (NTRS)

    Bostic, Susan W.; Fulton, Robert E.

    1987-01-01

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

  5. A comparison of computer methods for seawater alkalinity titrations

    NASA Astrophysics Data System (ADS)

    Barron, J. L.; Dyrssen, D.; Jones, E. P.; Wedborg, M.

    1983-04-01

    Potentiometric hydrochloric acid titration of seawater provides a powerful technique for determining components of the carbonate system. Recently, questions have been raised regarding older computer procedures for extracting the carbonate system parameters from the titration curve. We compare four evaluation methods, an early Gran method, the GEOSECS Gran method, a new modified Gran method, and a curve-fitting method. We conclude that the new modified Gran method and the curve-fitting can result in a precision of better than 0.1% but because of possible problems associated with representing all relevant chemical reactions during titration, an alkalinity standard must be established before accuracies of 0.1% can be achieved.

  6. The Ever-Present Demand for Public Computing Resources. CDS Spotlight

    ERIC Educational Resources Information Center

    Pirani, Judith A.

    2014-01-01

    This Core Data Service (CDS) Spotlight focuses on public computing resources, including lab/cluster workstations in buildings, virtual lab/cluster workstations, kiosks, laptop and tablet checkout programs, and workstation access in unscheduled classrooms. The findings are derived from 758 CDS 2012 participating institutions. A dataset of 529…

  7. Advanced Telecommunications and Computer Technologies in Georgia Public Elementary School Library Media Centers.

    ERIC Educational Resources Information Center

    Rogers, Jackie L.

    The purpose of this study was to determine what recent progress had been made in Georgia public elementary school library media centers regarding access to advanced telecommunications and computer technologies as a result of special funding. A questionnaire addressed the following areas: automation and networking of the school library media center…

  8. Computational methods to obtain time optimal jet engine control

    NASA Technical Reports Server (NTRS)

    Basso, R. J.; Leake, R. J.

    1976-01-01

    Dynamic Programming and the Fletcher-Reeves Conjugate Gradient Method are two existing methods which can be applied to solve a general class of unconstrained fixed time, free right end optimal control problems. New techniques are developed to adapt these methods to solve a time optimal control problem with state variable and control constraints. Specifically, they are applied to compute a time optimal control for a jet engine control problem.

  9. The spectral-element method, Beowulf computing, and global seismology.

    PubMed

    Komatitsch, Dimitri; Ritsema, Jeroen; Tromp, Jeroen

    2002-11-29

    The propagation of seismic waves through Earth can now be modeled accurately with the recently developed spectral-element method. This method takes into account heterogeneity in Earth models, such as three-dimensional variations of seismic wave velocity, density, and crustal thickness. The method is implemented on relatively inexpensive clusters of personal computers, so-called Beowulf machines. This combination of hardware and software enables us to simulate broadband seismograms without intrinsic restrictions on the level of heterogeneity or the frequency content.

  10. A stochastic method for computing hadronic matrix elements

    SciTech Connect

    Alexandrou, Constantia; Constantinou, Martha; Dinter, Simon; Drach, Vincent; Jansen, Karl; Hadjiyiannakou, Kyriakos; Renner, Dru B.

    2014-01-24

    In this study, we present a stochastic method for the calculation of baryon 3-point functions which is an alternative to the typically used sequential method offering more versatility. We analyze the scaling of the error of the stochastically evaluated 3-point function with the lattice volume and find a favorable signal to noise ratio suggesting that the stochastic method can be extended to large volumes providing an efficient approach to compute hadronic matrix elements and form factors.

  11. Practical Use of Computationally Frugal Model Analysis Methods

    SciTech Connect

    Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen

    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 frugal 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

  12. Practical Use of Computationally Frugal Model Analysis Methods

    DOE PAGES

    Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen

    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

  13. Checklist and "Pollard Walk" butterfly survey methods on public lands

    USGS Publications Warehouse

    Royer, Ronald A.; Austin, Jane E.; Newton, Wesley E.

    1998-01-01

    Checklist and “Pollard Walk” butterfly survey methods were contemporaneously applied to seven public sites in North Dakota during the summer of 1995. Results were compared for effect of method and site on total number of butterflies and total number of species detected per hour. Checklist searching produced significantly more butterfly detections per hour than Pollard Walks at all sites. Number of species detected per hour did not differ significantly either among sites or between methods. Many species were detected by only one method, and at most sites generalist and invader species were more likely to be observed during checklist searches than during Pollard Walks. Results indicate that checklist surveys are a more efficient means for initial determination of a species list for a site, whereas for long-term monitoring the Pollard Walk is more practical and statistically manageable. Pollard Walk transects are thus recommended once a prairie butterfly fauna has been defined for a site by checklist surveys.

  14. Checklist and Pollard Walk butterfly survey methods on public lands

    USGS Publications Warehouse

    Royer, R.A.; Austin, J.E.; Newton, W.E.

    1998-01-01

    Checklist and Pollard Walk butterfly survey methods were contemporaneously applied to seven public sites in North Dakota during the summer of 1995. Results were compared for effect of method and site on total number of butterflies and total number of species detected per hour. Checklist searching produced significantly more butterfly detections per hour than Pollard Walks at all sites. Number of species detected per hour did not differ significantly either among sites or between methods. Many species were detected by only one method, and at most sites generalist and invader species were more likely to be observed during checklist searches than during Pollard Walks. Results indicate that checklist surveys are a more efficient means for initial determination of a species list for a site, whereas for long-term monitoring the Pollard Walk is more practical and statistically manageable. Pollard Walk transects are thus recommended once a prairie butterfly fauna has been defined for a site by checklist surveys.

  15. Integration of computational methods into automotive wind tunnel testing

    SciTech Connect

    Katz, J.

    1989-01-01

    This paper discusses the aerodynamics of a generic, enclosed-wheel racing-car shape without wheels investigated numerically and compared with one-quarter scale wind-tunnel data. Because both methods lack perfection in simulating actual road conditions, a complementary application of these methods was studied. The computations served for correcting the high-blockage wind-tunnel results and provided detailed pressure data which improved the physical understanding of the flow field. The experimental data was used here mainly to provide information on the location of flow-separation lines and on the aerodynamic loads; these in turn were used to validate and to calibrate the computations.

  16. Learning From Engineering and Computer Science About Communicating The Field To The Public

    NASA Astrophysics Data System (ADS)

    Moore, S. L.; Tucek, K.

    2014-12-01

    The engineering and computer science community has taken the lead in actively informing the public about their discipline, including the societal contributions and career opportunities. These efforts have been intensified in regards to informing underrepresented populations in STEM about engineering and computer science. Are there lessons to be learned by the geoscience community in communicating the societal impacts and career opportunities in the geosciences, especially in regards to broadening participation and meeting Next Generation Science Standards? An estimated 35 percent increase in the number of geoscientist jobs in the United States forecasted for the period between 2008 and 2018, combined with majority populations becoming minority populations, make it imperative that we improve how we increase the public's understanding of the geosciences and how we present our message to targeted populations. This talk will look at recommendations from the National Academy of Engineering's Changing the Conversation: Messages for Improving the Public Understanding of Engineering, and communication strategies by organizations such as Code.org, to highlight practices that the geoscience community can adopt to increase public awareness of the societal contributions of the geosciences, the career opportunities in the geosciences, and the importance of the geosciences in the Next Generation Science Standards. An effort to communicate geoscience to the public, Earth is Calling, will be compared and contrasted to these efforts, and used as an example of how geological societies and other organizations can engage the general public and targeted groups about the geosciences.

  17. Public participation GIS: a method for identifying ecosystems services

    USGS Publications Warehouse

    Brown, Greg; Montag, Jessica; Lyon, Katie

    2012-01-01

    This study evaluated the use of an Internet-based public participation geographic information system (PPGIS) to identify ecosystem services in Grand County, Colorado. Specific research objectives were to examine the distribution of ecosystem services, identify the characteristics of participants in the study, explore potential relationships between ecosystem services and land use and land cover (LULC) classifications, and assess the methodological strengths and weakness of the PPGIS approach for identifying ecosystem services. Key findings include: (1) Cultural ecosystem service opportunities were easiest to identify while supporting and regulatory services most challenging, (2) participants were highly educated, knowledgeable about nature and science, and have a strong connection to the outdoors, (3) some LULC classifications were logically and spatially associated with ecosystem services, and (4) despite limitations, the PPGIS method demonstrates potential for identifying ecosystem services to augment expert judgment and to inform public or environmental policy decisions regarding land use trade-offs.

  18. Automatic detection of lung nodules in computed tomography images: training and validation of algorithms using public research databases

    NASA Astrophysics Data System (ADS)

    Camarlinghi, Niccolò

    2013-09-01

    Lung cancer is one of the main public health issues in developed countries. Lung cancer typically manifests itself as non-calcified pulmonary nodules that can be detected reading lung Computed Tomography (CT) images. To assist radiologists in reading images, researchers started, a decade ago, the development of Computer Aided Detection (CAD) methods capable of detecting lung nodules. In this work, a CAD composed of two CAD subprocedures is presented: , devoted to the identification of parenchymal nodules, and , devoted to the identification of the nodules attached to the pleura surface. Both CADs are an upgrade of two methods previously presented as Voxel Based Neural Approach CAD . The novelty of this paper consists in the massive training using the public research Lung International Database Consortium (LIDC) database and on the implementation of new features for classification with respect to the original VBNA method. Finally, the proposed CAD is blindly validated on the ANODE09 dataset. The result of the validation is a score of 0.393, which corresponds to the average sensitivity of the CAD computed at seven predefined false positive rates: 1/8, 1/4, 1/2, 1, 2, 4, and 8 FP/CT.

  19. Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

    2004-01-01

    Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

  20. Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

    2003-01-01

    Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

  1. Computer controlled fluorometer device and method of operating same

    DOEpatents

    Kolber, Zbigniew; Falkowski, Paul

    1990-01-01

    A computer controlled fluorometer device and method of operating same, said device being made to include a pump flash source and a probe flash source and one or more sample chambers in combination with a light condenser lens system and associated filters and reflectors and collimators, as well as signal conditioning and monitoring means and a programmable computer means and a software programmable source of background irradiance that is operable according to the method of the invention to rapidly, efficiently and accurately measure photosynthetic activity by precisely monitoring and recording changes in fluorescence yield produced by a controlled series of predetermined cycles of probe and pump flashes from the respective probe and pump sources that are controlled by the computer means.

  2. Computer controlled fluorometer device and method of operating same

    DOEpatents

    Kolber, Z.; Falkowski, P.

    1990-07-17

    A computer controlled fluorometer device and method of operating same, said device being made to include a pump flash source and a probe flash source and one or more sample chambers in combination with a light condenser lens system and associated filters and reflectors and collimators, as well as signal conditioning and monitoring means and a programmable computer means and a software programmable source of background irradiance that is operable according to the method of the invention to rapidly, efficiently and accurately measure photosynthetic activity by precisely monitoring and recording changes in fluorescence yield produced by a controlled series of predetermined cycles of probe and pump flashes from the respective probe and pump sources that are controlled by the computer means. 13 figs.

  3. Computational biology in the cloud: methods and new insights from computing at scale.

    PubMed

    Kasson, Peter M

    2013-01-01

    The past few years have seen both explosions in the size of biological data sets and the proliferation of new, highly flexible on-demand computing capabilities. The sheer amount of information available from genomic and metagenomic sequencing, high-throughput proteomics, experimental and simulation datasets on molecular structure and dynamics affords an opportunity for greatly expanded insight, but it creates new challenges of scale for computation, storage, and interpretation of petascale data. Cloud computing resources have the potential to help solve these problems by offering a utility model of computing and storage: near-unlimited capacity, the ability to burst usage, and cheap and flexible payment models. Effective use of cloud computing on large biological datasets requires dealing with non-trivial problems of scale and robustness, since performance-limiting factors can change substantially when a dataset grows by a factor of 10,000 or more. New computing paradigms are thus often needed. The use of cloud platforms also creates new opportunities to share data, reduce duplication, and to provide easy reproducibility by making the datasets and computational methods easily available.

  4. PSD computations using Welch's method. [Power Spectral Density (PSD)

    SciTech Connect

    Solomon, Jr, O M

    1991-12-01

    This report describes Welch's method for computing Power Spectral Densities (PSDs). We first describe the bandpass filter method which uses filtering, squaring, and averaging operations to estimate a PSD. Second, we delineate the relationship of Welch's method to the bandpass filter method. Third, the frequency domain signal-to-noise ratio for a sine wave in white noise is derived. This derivation includes the computation of the noise floor due to quantization noise. The signal-to-noise ratio and noise flood depend on the FFT length and window. Fourth, the variance the Welch's PSD is discussed via chi-square random variables and degrees of freedom. This report contains many examples, figures and tables to illustrate the concepts. 26 refs.

  5. A computational method for automated characterization of genetic components.

    PubMed

    Yordanov, Boyan; Dalchau, Neil; Grant, Paul K; Pedersen, Michael; Emmott, Stephen; Haseloff, Jim; Phillips, Andrew

    2014-08-15

    The ability to design and construct synthetic biological systems with predictable behavior could enable significant advances in medical treatment, agricultural sustainability, and bioenergy production. However, to reach a stage where such systems can be reliably designed from biological components, integrated experimental and computational techniques that enable robust component characterization are needed. In this paper we present a computational method for the automated characterization of genetic components. Our method exploits a recently developed multichannel experimental protocol and integrates bacterial growth modeling, Bayesian parameter estimation, and model selection, together with data processing steps that are amenable to automation. We implement the method within the Genetic Engineering of Cells modeling and design environment, which enables both characterization and design to be integrated within a common software framework. To demonstrate the application of the method, we quantitatively characterize a synthetic receiver device that responds to the 3-oxohexanoyl-homoserine lactone signal, across a range of experimental conditions.

  6. pyro: Python-based tutorial for computational methods for hydrodynamics

    NASA Astrophysics Data System (ADS)

    Zingale, Michael

    2015-07-01

    pyro is a simple python-based tutorial on computational methods for hydrodynamics. It includes 2-d solvers for advection, compressible, incompressible, and low Mach number hydrodynamics, diffusion, and multigrid. It is written with ease of understanding in mind. An extensive set of notes that is part of the Open Astrophysics Bookshelf project provides details of the algorithms.

  7. Convergence acceleration of the Proteus computer code with multigrid methods

    NASA Technical Reports Server (NTRS)

    Demuren, A. O.; Ibraheem, S. O.

    1995-01-01

    This report presents the results of a study to implement convergence acceleration techniques based on the multigrid concept in the two-dimensional and three-dimensional versions of the Proteus computer code. The first section presents a review of the relevant literature on the implementation of the multigrid methods in computer codes for compressible flow analysis. The next two sections present detailed stability analysis of numerical schemes for solving the Euler and Navier-Stokes equations, based on conventional von Neumann analysis and the bi-grid analysis, respectively. The next section presents details of the computational method used in the Proteus computer code. Finally, the multigrid implementation and applications to several two-dimensional and three-dimensional test problems are presented. The results of the present study show that the multigrid method always leads to a reduction in the number of iterations (or time steps) required for convergence. However, there is an overhead associated with the use of multigrid acceleration. The overhead is higher in 2-D problems than in 3-D problems, thus overall multigrid savings in CPU time are in general better in the latter. Savings of about 40-50 percent are typical in 3-D problems, but they are about 20-30 percent in large 2-D problems. The present multigrid method is applicable to steady-state problems and is therefore ineffective in problems with inherently unstable solutions.

  8. Trajectory optimization using parallel shooting method on parallel computer

    SciTech Connect

    Wirthman, D.J.; Park, S.Y.; Vadali, S.R.

    1995-03-01

    The efficiency of a parallel shooting method on a parallel computer for solving a variety of optimal control guidance problems is studied. Several examples are considered to demonstrate that a speedup of nearly 7 to 1 is achieved with the use of 16 processors. It is suggested that further improvements in performance can be achieved by parallelizing in the state domain. 10 refs.

  9. EQUILIBRIUM AND NONEQUILIBRIUM FOUNDATIONS OF FREE ENERGY COMPUTATIONAL METHODS

    SciTech Connect

    C. JARZYNSKI

    2001-03-01

    Statistical mechanics provides a rigorous framework for the numerical estimation of free energy differences in complex systems such as biomolecules. This paper presents a brief review of the statistical mechanical identities underlying a number of techniques for computing free energy differences. Both equilibrium and nonequilibrium methods are covered.

  10. Public library computer training for older adults to access high-quality Internet health information.

    PubMed

    Xie, Bo; Bugg, Julie M

    2009-09-01

    An innovative experiment to develop and evaluate a public library computer training program to teach older adults to access and use high-quality Internet health information involved a productive collaboration among public libraries, the National Institute on Aging and the National Library of Medicine of the National Institutes of Health (NIH), and a Library and Information Science (LIS) academic program at a state university. One hundred and thirty-one older adults aged 54-89 participated in the study between September 2007 and July 2008. Key findings include: a) participants had overwhelmingly positive perceptions of the training program; b) after learning about two NIH websites (http://nihseniorhealth.gov and http://medlineplus.gov) from the training, many participants started using these online resources to find high quality health and medical information and, further, to guide their decision-making regarding a health- or medically-related matter; and c) computer anxiety significantly decreased (p < .001) while computer interest and efficacy significantly increased (p = .001 and p < .001, respectively) from pre- to post-training, suggesting statistically significant improvements in computer attitudes between pre- and post-training. The findings have implications for public libraries, LIS academic programs, and other organizations interested in providing similar programs in their communities.

  11. Stress intensity estimates by a computer assisted photoelastic method

    NASA Technical Reports Server (NTRS)

    Smith, C. W.

    1977-01-01

    Following an introductory history, the frozen stress photoelastic method is reviewed together with analytical and experimental aspects of cracks in photoelastic models. Analytical foundations are then presented upon which a computer assisted frozen stress photoelastic technique is based for extracting estimates of stress intensity factors from three-dimensional cracked body problems. The use of the method is demonstrated for two currently important three-dimensional crack problems.

  12. A Higher Order Iterative Method for Computing the Drazin Inverse

    PubMed Central

    Soleymani, F.; Stanimirović, Predrag S.

    2013-01-01

    A method with high convergence rate for finding approximate inverses of nonsingular matrices is suggested and established analytically. An extension of the introduced computational scheme to general square matrices is defined. The extended method could be used for finding the Drazin inverse. The application of the scheme on large sparse test matrices alongside the use in preconditioning of linear system of equations will be presented to clarify the contribution of the paper. PMID:24222747

  13. Method and system for environmentally adaptive fault tolerant computing

    NASA Technical Reports Server (NTRS)

    Copenhaver, Jason L. (Inventor); Jeremy, Ramos (Inventor); Wolfe, Jeffrey M. (Inventor); Brenner, Dean (Inventor)

    2010-01-01

    A method and system for adapting fault tolerant computing. The method includes the steps of measuring an environmental condition representative of an environment. An on-board processing system's sensitivity to the measured environmental condition is measured. It is determined whether to reconfigure a fault tolerance of the on-board processing system based in part on the measured environmental condition. The fault tolerance of the on-board processing system may be reconfigured based in part on the measured environmental condition.

  14. Three-dimensional cardiac computational modelling: methods, features and applications.

    PubMed

    Lopez-Perez, Alejandro; Sebastian, Rafael; Ferrero, Jose M

    2015-01-01

    The combination of computational models and biophysical simulations can help to interpret an array of experimental data and contribute to the understanding, diagnosis and treatment of complex diseases such as cardiac arrhythmias. For this reason, three-dimensional (3D) cardiac computational modelling is currently a rising field of research. The advance of medical imaging technology over the last decades has allowed the evolution from generic to patient-specific 3D cardiac models that faithfully represent the anatomy and different cardiac features of a given alive subject. Here we analyse sixty representative 3D cardiac computational models developed and published during the last fifty years, describing their information sources, features, development methods and online availability. This paper also reviews the necessary components to build a 3D computational model of the heart aimed at biophysical simulation, paying especial attention to cardiac electrophysiology (EP), and the existing approaches to incorporate those components. We assess the challenges associated to the different steps of the building process, from the processing of raw clinical or biological data to the final application, including image segmentation, inclusion of substructures and meshing among others. We briefly outline the personalisation approaches that are currently available in 3D cardiac computational modelling. Finally, we present examples of several specific applications, mainly related to cardiac EP simulation and model-based image analysis, showing the potential usefulness of 3D cardiac computational modelling into clinical environments as a tool to aid in the prevention, diagnosis and treatment of cardiac diseases. PMID:25928297

  15. A new method for deriving steady-state rate equations suitable for manual or computer use.

    PubMed Central

    Indge, K J; Childs, R E

    1976-01-01

    A schematic method for the derivation of steady-state enzyme rate equations by using the Wang algebra is described. The method is simple, easy to learn and offers a substantial decrease in analytical effort over previously published algorithms. Being essentially an algebraic procedure the method can be readily computerized. Computer programs in BASIC and ALGOL languages have been deposited as Supplementary Publication SUP 50065 (19 pages) at the British Library (Lending Division), Boston Spa, Wetherby, W. Yorkshire LS23 7BQ, U.K., from whom copies can be obtained on the terms indicated in Biochem. J. (1976). 153, 5. PMID:949319

  16. A Parallel Iterative Method for Computing Molecular Absorption Spectra.

    PubMed

    Koval, Peter; Foerster, Dietrich; Coulaud, Olivier

    2010-09-14

    We describe a fast parallel iterative method for computing molecular absorption spectra within TDDFT linear response and using the LCAO method. We use a local basis of "dominant products" to parametrize the space of orbital products that occur in the LCAO approach. In this basis, the dynamic polarizability is computed iteratively within an appropriate Krylov subspace. The iterative procedure uses a matrix-free GMRES method to determine the (interacting) density response. The resulting code is about 1 order of magnitude faster than our previous full-matrix method. This acceleration makes the speed of our TDDFT code comparable with codes based on Casida's equation. The implementation of our method uses hybrid MPI and OpenMP parallelization in which load balancing and memory access are optimized. To validate our approach and to establish benchmarks, we compute spectra of large molecules on various types of parallel machines. The methods developed here are fairly general, and we believe they will find useful applications in molecular physics/chemistry, even for problems that are beyond TDDFT, such as organic semiconductors, particularly in photovoltaics.

  17. Leveraging Cloud Computing to Address Public Health Disparities: An Analysis of the SPHPS

    PubMed Central

    Jalali, Arash; Olabode, Olusegun A.; Bell, Christopher M.

    2012-01-01

    As the use of certified electronic health record technology (CEHRT) has continued to gain prominence in hospitals and physician practices, public health agencies and health professionals have the ability to access health data through health information exchanges (HIE). With such knowledge health providers are well positioned to positively affect population health, and enhance health status or quality-of-life outcomes in at-risk populations. Through big data analytics, predictive analytics and cloud computing, public health agencies have the opportunity to observe emerging public health threats in real-time and provide more effective interventions addressing health disparities in our communities. The Smarter Public Health Prevention System (SPHPS) provides real-time reporting of potential public health threats to public health leaders through the use of a simple and efficient dashboard and links people with needed personal health services through mobile platforms for smartphones and tablets to promote and encourage healthy behaviors in our communities. The purpose of this working paper is to evaluate how a secure virtual private cloud (VPC) solution could facilitate the implementation of the SPHPS in order to address public health disparities. PMID:23569644

  18. Leveraging Cloud Computing to Address Public Health Disparities: An Analysis of the SPHPS.

    PubMed

    Jalali, Arash; Olabode, Olusegun A; Bell, Christopher M

    2012-01-01

    As the use of certified electronic health record technology (CEHRT) has continued to gain prominence in hospitals and physician practices, public health agencies and health professionals have the ability to access health data through health information exchanges (HIE). With such knowledge health providers are well positioned to positively affect population health, and enhance health status or quality-of-life outcomes in at-risk populations. Through big data analytics, predictive analytics and cloud computing, public health agencies have the opportunity to observe emerging public health threats in real-time and provide more effective interventions addressing health disparities in our communities. The Smarter Public Health Prevention System (SPHPS) provides real-time reporting of potential public health threats to public health leaders through the use of a simple and efficient dashboard and links people with needed personal health services through mobile platforms for smartphones and tablets to promote and encourage healthy behaviors in our communities. The purpose of this working paper is to evaluate how a secure virtual private cloud (VPC) solution could facilitate the implementation of the SPHPS in order to address public health disparities.

  19. A computationally efficient particle-simulation method suited to vector-computer architectures

    SciTech Connect

    McDonald, J.D.

    1990-01-01

    Recent interest in a National Aero-Space Plane (NASP) and various Aero-assisted Space Transfer Vehicles (ASTVs) presents the need for a greater understanding of high-speed rarefied flight conditions. Particle simulation techniques such as the Direct Simulation Monte Carlo (DSMC) method are well suited to such problems, but the high cost of computation limits the application of the methods to two-dimensional or very simple three-dimensional problems. This research re-examines the algorithmic structure of existing particle simulation methods and re-structures them to allow efficient implementation on vector-oriented supercomputers. A brief overview of the DSMC method and the Cray-2 vector computer architecture are provided, and the elements of the DSMC method that inhibit substantial vectorization are identified. One such element is the collision selection algorithm. A complete reformulation of underlying kinetic theory shows that this may be efficiently vectorized for general gas mixtures. The mechanics of collisions are vectorizable in the DSMC method, but several optimizations are suggested that greatly enhance performance. Also this thesis proposes a new mechanism for the exchange of energy between vibration and other energy modes. The developed scheme makes use of quantized vibrational states and is used in place of the Borgnakke-Larsen model. Finally, a simplified representation of physical space and boundary conditions is utilized to further reduce the computational cost of the developed method. Comparison to solutions obtained from the DSMC method for the relaxation of internal energy modes in a homogeneous gas, as well as single and multiple specie shock wave profiles, are presented. Additionally, a large scale simulation of the flow about the proposed Aeroassisted Flight Experiment (AFE) vehicle is included as an example of the new computational capability of the developed particle simulation method.

  20. The ensemble switch method for computing interfacial tensions

    SciTech Connect

    Schmitz, Fabian; Virnau, Peter

    2015-04-14

    We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

  1. Digital data storage systems, computers, and data verification methods

    DOEpatents

    Groeneveld, Bennett J.; Austad, Wayne E.; Walsh, Stuart C.; Herring, Catherine A.

    2005-12-27

    Digital data storage systems, computers, and data verification methods are provided. According to a first aspect of the invention, a computer includes an interface adapted to couple with a dynamic database; and processing circuitry configured to provide a first hash from digital data stored within a portion of the dynamic database at an initial moment in time, to provide a second hash from digital data stored within the portion of the dynamic database at a subsequent moment in time, and to compare the first hash and the second hash.

  2. 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.

  3. Computing the crystal growth rate by the interface pinning method

    NASA Astrophysics Data System (ADS)

    Pedersen, Ulf R.; Hummel, Felix; Dellago, Christoph

    2015-01-01

    An essential parameter for crystal growth is the kinetic coefficient given by the proportionality between supercooling and average growth velocity. Here, we show that this coefficient can be computed in a single equilibrium simulation using the interface pinning method where two-phase configurations are stabilized by adding a spring-like bias field coupling to an order-parameter that discriminates between the two phases. Crystal growth is a Smoluchowski process and the crystal growth rate can, therefore, be computed from the terminal exponential relaxation of the order parameter. The approach is investigated in detail for the Lennard-Jones model. We find that the kinetic coefficient scales as the inverse square-root of temperature along the high temperature part of the melting line. The practical usability of the method is demonstrated by computing the kinetic coefficient of the elements Na and Si from first principles. A generalized version of the method may be used for computing the rates of crystal nucleation or other rare events.

  4. Computation of Pressurized Gas Bearings Using CE/SE Method

    NASA Technical Reports Server (NTRS)

    Cioc, Sorin; Dimofte, Florin; Keith, Theo G., Jr.; Fleming, David P.

    2003-01-01

    The space-time conservation element and solution element (CE/SE) method is extended to compute compressible viscous flows in pressurized thin fluid films. This numerical scheme has previously been used successfully to solve a wide variety of compressible flow problems, including flows with large and small discontinuities. In this paper, the method is applied to calculate the pressure distribution in a hybrid gas journal bearing. The formulation of the problem is presented, including the modeling of the feeding system. the numerical results obtained are compared with experimental data. Good agreement between the computed results and the test data were obtained, and thus validate the CE/SE method to solve such problems.

  5. 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.

  6. 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. PMID:25576846

  7. Computational methods for coupling microstructural and micromechanical materials response simulations

    SciTech Connect

    HOLM,ELIZABETH A.; BATTAILE,CORBETT C.; BUCHHEIT,THOMAS E.; FANG,HUEI ELIOT; RINTOUL,MARK DANIEL; VEDULA,VENKATA R.; GLASS,S. JILL; KNOROVSKY,GERALD A.; NEILSEN,MICHAEL K.; WELLMAN,GERALD W.; SULSKY,DEBORAH; SHEN,YU-LIN; SCHREYER,H. BUCK

    2000-04-01

    Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.

  8. Computational nano-optic technology based on discrete sources method

    NASA Astrophysics Data System (ADS)

    Eremina, Elena; Eremin, Yuri; Wriedt, Thomas

    2011-03-01

    Continuous advance in the potential of fabrication and utilization of nanostructures for different applications requires an adequate tool for such structures' analysis and characterization. Investigation of light scattered by nanostructures by means of computer simulation seems to be a reliable tool for investigation of the properties and functional abilities of nanostructures. In particular, nano-features embedded in layered structures are of growing interest for many practical applications. Mathematical modeling of light scattering allows us to predict functional properties and behavior of nanostructures prior to their fabrication. This helps to reduce manufacturing and experimental costs. In the present paper, the Discrete Sources Method (DSM) is used as a tool of computational nano-optics. Mathematical models based on DSM are used for several practical applications. We are going to demonstrate that the computer simulation analysis allows not only prediction and investigation of the system properties, but can help in development and design of new setups.

  9. Computer-aided methods of determining thyristor thermal transients

    SciTech Connect

    Lu, E.; Bronner, G.

    1988-08-01

    An accurate tracing of the thyristor thermal response is investigated. This paper offers several alternatives for thermal modeling and analysis by using an electrical circuit analog: topological method, convolution integral method, etc. These methods are adaptable to numerical solutions and well suited to the use of the digital computer. The thermal analysis of thyristors was performed for the 1000 MVA converter system at the Princeton Plasma Physics Laboratory. Transient thermal impedance curves for individual thyristors in a given cooling arrangement were known from measurements and from manufacturer's data. The analysis pertains to almost any loading case, and the results are obtained in a numerical or a graphical format. 6 refs., 9 figs.

  10. [Public health systems and methods of their financing].

    PubMed

    Kim, S V

    2001-01-01

    A correlation between type of the state as regards public consciousness (authoritarian, liberal, democratic) and type of public health is disclosed. The type of public health determines the ways of its financing (centralized management, tariff regulation, and free prices) and forms of regulation of financial flows in public health. PMID:11593814

  11. Practical methods to improve the development of computational software

    SciTech Connect

    Osborne, A. G.; Harding, D. W.; Deinert, M. R.

    2013-07-01

    The use of computation has become ubiquitous in science and engineering. As the complexity of computer codes has increased, so has the need for robust methods to minimize errors. Past work has show that the number of functional errors is related the number of commands that a code executes. Since the late 1960's, major participants in the field of computation have encouraged the development of best practices for programming to help reduce coder induced error, and this has lead to the emergence of 'software engineering' as a field of study. Best practices for coding and software production have now evolved and become common in the development of commercial software. These same techniques, however, are largely absent from the development of computational codes by research groups. Many of the best practice techniques from the professional software community would be easy for research groups in nuclear science and engineering to adopt. This paper outlines the history of software engineering, as well as issues in modern scientific computation, and recommends practices that should be adopted by individual scientific programmers and university research groups. (authors)

  12. Domain decomposition methods for the parallel computation of reacting flows

    NASA Technical Reports Server (NTRS)

    Keyes, David E.

    1988-01-01

    Domain decomposition is a natural route to parallel computing for partial differential equation solvers. Subdomains of which the original domain of definition is comprised are assigned to independent processors at the price of periodic coordination between processors to compute global parameters and maintain the requisite degree of continuity of the solution at the subdomain interfaces. In the domain-decomposed solution of steady multidimensional systems of PDEs by finite difference methods using a pseudo-transient version of Newton iteration, the only portion of the computation which generally stands in the way of efficient parallelization is the solution of the large, sparse linear systems arising at each Newton step. For some Jacobian matrices drawn from an actual two-dimensional reacting flow problem, comparisons are made between relaxation-based linear solvers and also preconditioned iterative methods of Conjugate Gradient and Chebyshev type, focusing attention on both iteration count and global inner product count. The generalized minimum residual method with block-ILU preconditioning is judged the best serial method among those considered, and parallel numerical experiments on the Encore Multimax demonstrate for it approximately 10-fold speedup on 16 processors.

  13. Applications of meshless methods for damage computations with finite strains

    NASA Astrophysics Data System (ADS)

    Pan, Xiaofei; Yuan, Huang

    2009-06-01

    Material defects such as cavities have great effects on the damage process in ductile materials. Computations based on finite element methods (FEMs) often suffer from instability due to material failure as well as large distortions. To improve computational efficiency and robustness the element-free Galerkin (EFG) method is applied in the micro-mechanical constitute damage model proposed by Gurson and modified by Tvergaard and Needleman (the GTN damage model). The EFG algorithm is implemented in the general purpose finite element code ABAQUS via the user interface UEL. With the help of the EFG method, damage processes in uniaxial tension specimens and notched specimens are analyzed and verified with experimental data. Computational results reveal that the damage which takes place in the interior of specimens will extend to the exterior and cause fracture of specimens; the damage is a fast procedure relative to the whole tensing process. The EFG method provides more stable and robust numerical solution in comparing with the FEM analysis.

  14. Informed public choices for low-carbon electricity portfolios using a computer decision tool.

    PubMed

    Mayer, Lauren A Fleishman; Bruine de Bruin, Wändi; Morgan, M Granger

    2014-04-01

    Reducing CO2 emissions from the electricity sector will likely require policies that encourage the widespread deployment of a diverse mix of low-carbon electricity generation technologies. Public discourse informs such policies. To make informed decisions and to productively engage in public discourse, citizens need to understand the trade-offs between electricity technologies proposed for widespread deployment. Building on previous paper-and-pencil studies, we developed a computer tool that aimed to help nonexperts make informed decisions about the challenges faced in achieving a low-carbon energy future. We report on an initial usability study of this interactive computer tool. After providing participants with comparative and balanced information about 10 electricity technologies, we asked them to design a low-carbon electricity portfolio. Participants used the interactive computer tool, which constrained portfolio designs to be realistic and yield low CO2 emissions. As they changed their portfolios, the tool updated information about projected CO2 emissions, electricity costs, and specific environmental impacts. As in the previous paper-and-pencil studies, most participants designed diverse portfolios that included energy efficiency, nuclear, coal with carbon capture and sequestration, natural gas, and wind. Our results suggest that participants understood the tool and used it consistently. The tool may be downloaded from http://cedmcenter.org/tools-for-cedm/informing-the-public-about-low-carbon-technologies/ .

  15. Demand forecasting using fuzzy neural computation, with special emphasis on weekend and public holiday forecasting

    SciTech Connect

    Srinivasan, D.; Chang, C.S.; Liew, A.C.

    1995-11-01

    This paper describes the implementation and forecasting results of a hybrid fuzzy neural technique, which combines neural network modeling, and techniques from fuzzy logic and fuzzy set theory for electric load forecasting. The strengths of this powerful technique lie in its ability to forecast accurately on weekdays, as well as, on weekends, public holidays, and days before and after public holidays. Furthermore, use of fuzzy logic effectively handles the load variations due to special events. The Fuzzy-Neural Network (FNN) has been extensively tested on actual data obtained from a power system for 24-hour ahead prediction based on forecast weather information. Very impressive results, with an average error of 0.62% on weekdays, 0.83% on Saturdays and 1.17% on Sundays and public holidays have been obtained. This approach avoids complex mathematical calculations and training on many years of data, and is simple to implement on a personal computer.

  16. Precise computations of chemotactic collapse using moving mesh methods

    NASA Astrophysics Data System (ADS)

    Budd, C. J.; Carretero-González, R.; Russell, R. D.

    2005-01-01

    We consider the problem of computing blow-up solutions of chemotaxis systems, or the so-called chemotactic collapse. In two spatial dimensions, such solutions can have approximate self-similar behaviour, which can be very challenging to verify in numerical simulations [cf. Betterton and Brenner, Collapsing bacterial cylinders, Phys. Rev. E 64 (2001) 061904]. We analyse a dynamic (scale-invariant) remeshing method which performs spatial mesh movement based upon equidistribution. Using a suitably chosen monitor function, the numerical solution resolves the fine detail in the asymptotic solution structure, such that the computations are seen to be fully consistent with the asymptotic description of the collapse phenomenon given by Herrero and Velázquez [Singularity patterns in a chemotaxis model, Math. Ann. 306 (1996) 583-623]. We believe that the methods we construct are ideally suited to a large number of problems in mathematical biology for which collapse phenomena are expected.

  17. Computer processing improves hydraulics optimization with new methods

    SciTech Connect

    Gavignet, A.A.; Wick, C.J.

    1987-12-01

    In current practice, pressure drops in the mud circulating system and the settling velocity of cuttings are calculated with simple rheological models and simple equations. Wellsite computers now allow more sophistication in drilling computations. In this paper, experimental results on the settling velocity of spheres in drilling fluids are reported, along with rheograms done over a wide range of shear rates. The flow curves are fitted to polynomials and general methods are developed to predict friction losses and settling velocities as functions of the polynomial coefficients. These methods were incorporated in a software package that can handle any rig configuration system, including riser booster. Graphic displays show the effect of each parameter on the performance of the circulating system.

  18. 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.

  19. A literature review of neck pain associated with computer use: public health implications

    PubMed Central

    Green, Bart N

    2008-01-01

    Prolonged use of computers during daily work activities and recreation is often cited as a cause of neck pain. This review of the literature identifies public health aspects of neck pain as associated with computer use. While some retrospective studies support the hypothesis that frequent computer operation is associated with neck pain, few prospective studies reveal causal relationships. Many risk factors are identified in the literature. Primary prevention strategies have largely been confined to addressing environmental exposure to ergonomic risk factors, since to date, no clear cause for this work-related neck pain has been acknowledged. Future research should include identifying causes of work related neck pain so that appropriate primary prevention strategies may be developed and to make policy recommendations pertaining to prevention. PMID:18769599

  20. Interval sampling methods and measurement error: a computer simulation.

    PubMed

    Wirth, Oliver; Slaven, James; Taylor, Matthew A

    2014-01-01

    A simulation study was conducted to provide a more thorough account of measurement error associated with interval sampling methods. A computer program simulated the application of momentary time sampling, partial-interval recording, and whole-interval recording methods on target events randomly distributed across an observation period. The simulation yielded measures of error for multiple combinations of observation period, interval duration, event duration, and cumulative event duration. The simulations were conducted up to 100 times to yield measures of error variability. Although the present simulation confirmed some previously reported characteristics of interval sampling methods, it also revealed many new findings that pertain to each method's inherent strengths and weaknesses. The analysis and resulting error tables can help guide the selection of the most appropriate sampling method for observation-based behavioral assessments.

  1. Experiences using DAKOTA stochastic expansion methods in computational simulations.

    SciTech Connect

    Templeton, Jeremy Alan; Ruthruff, Joseph R.

    2012-01-01

    Uncertainty quantification (UQ) methods bring rigorous statistical connections to the analysis of computational and experiment data, and provide a basis for probabilistically assessing margins associated with safety and reliability. The DAKOTA toolkit developed at Sandia National Laboratories implements a number of UQ methods, which are being increasingly adopted by modeling and simulation teams to facilitate these analyses. This report disseminates results as to the performance of DAKOTA's stochastic expansion methods for UQ on a representative application. Our results provide a number of insights that may be of interest to future users of these methods, including the behavior of the methods in estimating responses at varying probability levels, and the expansion levels for the methodologies that may be needed to achieve convergence.

  2. A hierarchical method for molecular docking using cloud computing.

    PubMed

    Kang, Ling; Guo, Quan; Wang, Xicheng

    2012-11-01

    Discovering small molecules that interact with protein targets will be a key part of future drug discovery efforts. Molecular docking of drug-like molecules is likely to be valuable in this field; however, the great number of such molecules makes the potential size of this task enormous. In this paper, a method to screen small molecular databases using cloud computing is proposed. This method is called the hierarchical method for molecular docking and can be completed in a relatively short period of time. In this method, the optimization of molecular docking is divided into two subproblems based on the different effects on the protein-ligand interaction energy. An adaptive genetic algorithm is developed to solve the optimization problem and a new docking program (FlexGAsDock) based on the hierarchical docking method has been developed. The implementation of docking on a cloud computing platform is then discussed. The docking results show that this method can be conveniently used for the efficient molecular design of drugs.

  3. A hierarchical method for molecular docking using cloud computing.

    PubMed

    Kang, Ling; Guo, Quan; Wang, Xicheng

    2012-11-01

    Discovering small molecules that interact with protein targets will be a key part of future drug discovery efforts. Molecular docking of drug-like molecules is likely to be valuable in this field; however, the great number of such molecules makes the potential size of this task enormous. In this paper, a method to screen small molecular databases using cloud computing is proposed. This method is called the hierarchical method for molecular docking and can be completed in a relatively short period of time. In this method, the optimization of molecular docking is divided into two subproblems based on the different effects on the protein-ligand interaction energy. An adaptive genetic algorithm is developed to solve the optimization problem and a new docking program (FlexGAsDock) based on the hierarchical docking method has been developed. The implementation of docking on a cloud computing platform is then discussed. The docking results show that this method can be conveniently used for the efficient molecular design of drugs. PMID:23017886

  4. Investigation of the "Convince Me" Computer Environment as a Tool for Critical Argumentation about Public Policy Issues

    ERIC Educational Resources Information Center

    Adams, Stephen T.

    2003-01-01

    The "Convince Me" computer environment supports critical thinking by allowing users to create and evaluate computer-based representations of arguments. This study investigates theoretical and design considerations pertinent to using "Convince Me" as an educational tool to support reasoning about public policy issues. Among computer environments…

  5. 76 FR 67418 - Request for Comments on NIST Special Publication 500-293, US Government Cloud Computing...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-01

    ... Government Cloud Computing Technology Roadmap, Release 1.0 (Draft) AGENCY: National Institute of Standards... first draft of Special Publication 500-293, US Government Cloud Computing Technology Roadmap, Release 1... technology for U.S. Government (USG) agencies to accelerate their adoption of cloud computing. The...

  6. 78 FR 54453 - Notice of Public Meeting-Intersection of Cloud Computing and Mobility Forum and Workshop

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-04

    ... National Institute of Standards and Technology Notice of Public Meeting--Intersection of Cloud Computing...-mobility.cfm . SUPPLEMENTARY INFORMATION: NIST hosted six prior Cloud Computing Forum & Workshop events in..., portability, and security, discuss the Federal Government's experience with cloud computing, report on...

  7. Computational methods for protein sequence comparison and search.

    PubMed

    Xu, Dong

    2009-04-01

    Protein sequence comparison and search has become commonplace not only for bioinformatics researchers but also for experimentalists in many cases. Because of the exponential growth in sequence data, sequence comparison in particular has become an increasingly important tool. Relating a new gene sequence to other known sequences often reveals its function, structure, and evolution. Many sequence comparison and search tools are available through public Web servers, and biologists can use them easily with little knowledge of computers or bioinformatics. This unit provides some theoretical background and describes popular tools for dot plot, sequence search against a database, multiple sequence alignments, protein tree construction, and protein family and motif search. Step-by-step examples are provided to illustrate how to use some of the most well-known tools. Finally, some general advice is given on combining different sequence analysis tools for biological inference.

  8. Novel Methods for Communicating Plasma Science to the General Public

    NASA Astrophysics Data System (ADS)

    Zwicker, Andrew; Merali, Aliya; Wissel, S. A.; Delooper, John

    2012-10-01

    The broader implications of Plasma Science remains an elusive topic that the general public rarely discusses, regardless of their relevance to energy, the environment, and technology. Recently, we have looked beyond print media for methods to reach large numbers of people in creative and informative ways. These have included video, art, images, and music. For example, our submission to the ``What is a Flame?'' contest was ranked in the top 15 out of 800 submissions. Images of plasmas have won 3 out of 5 of the Princeton University ``Art of Science'' competitions. We use a plasma speaker to teach students of all ages about sound generation and plasma physics. We report on the details of each of these and future videos and animations under development.

  9. Computational Catalysis Using the Artificial Force Induced Reaction Method.

    PubMed

    Sameera, W M C; Maeda, Satoshi; Morokuma, Keiji

    2016-04-19

    The artificial force induced reaction (AFIR) method in the global reaction route mapping (GRRM) strategy is an automatic approach to explore all important reaction paths of complex reactions. Most traditional methods in computational catalysis require guess reaction paths. On the other hand, the AFIR approach locates local minima (LMs) and transition states (TSs) of reaction paths without a guess, and therefore finds unanticipated as well as anticipated reaction paths. The AFIR method has been applied for multicomponent organic reactions, such as the aldol reaction, Passerini reaction, Biginelli reaction, and phase-transfer catalysis. In the presence of several reactants, many equilibrium structures are possible, leading to a number of reaction pathways. The AFIR method in the GRRM strategy determines all of the important equilibrium structures and subsequent reaction paths systematically. As the AFIR search is fully automatic, exhaustive trial-and-error and guess-and-check processes by the user can be eliminated. At the same time, the AFIR search is systematic, and therefore a more accurate and comprehensive description of the reaction mechanism can be determined. The AFIR method has been used for the study of full catalytic cycles and reaction steps in transition metal catalysis, such as cobalt-catalyzed hydroformylation and iron-catalyzed carbon-carbon bond formation reactions in aqueous media. Some AFIR applications have targeted the selectivity-determining step of transition-metal-catalyzed asymmetric reactions, including stereoselective water-tolerant lanthanide Lewis acid-catalyzed Mukaiyama aldol reactions. In terms of establishing the selectivity of a reaction, systematic sampling of the transition states is critical. In this direction, AFIR is very useful for performing a systematic and automatic determination of TSs. In the presence of a comprehensive description of the transition states, the selectivity of the reaction can be calculated more accurately

  10. Computational Catalysis Using the Artificial Force Induced Reaction Method.

    PubMed

    Sameera, W M C; Maeda, Satoshi; Morokuma, Keiji

    2016-04-19

    The artificial force induced reaction (AFIR) method in the global reaction route mapping (GRRM) strategy is an automatic approach to explore all important reaction paths of complex reactions. Most traditional methods in computational catalysis require guess reaction paths. On the other hand, the AFIR approach locates local minima (LMs) and transition states (TSs) of reaction paths without a guess, and therefore finds unanticipated as well as anticipated reaction paths. The AFIR method has been applied for multicomponent organic reactions, such as the aldol reaction, Passerini reaction, Biginelli reaction, and phase-transfer catalysis. In the presence of several reactants, many equilibrium structures are possible, leading to a number of reaction pathways. The AFIR method in the GRRM strategy determines all of the important equilibrium structures and subsequent reaction paths systematically. As the AFIR search is fully automatic, exhaustive trial-and-error and guess-and-check processes by the user can be eliminated. At the same time, the AFIR search is systematic, and therefore a more accurate and comprehensive description of the reaction mechanism can be determined. The AFIR method has been used for the study of full catalytic cycles and reaction steps in transition metal catalysis, such as cobalt-catalyzed hydroformylation and iron-catalyzed carbon-carbon bond formation reactions in aqueous media. Some AFIR applications have targeted the selectivity-determining step of transition-metal-catalyzed asymmetric reactions, including stereoselective water-tolerant lanthanide Lewis acid-catalyzed Mukaiyama aldol reactions. In terms of establishing the selectivity of a reaction, systematic sampling of the transition states is critical. In this direction, AFIR is very useful for performing a systematic and automatic determination of TSs. In the presence of a comprehensive description of the transition states, the selectivity of the reaction can be calculated more accurately

  11. Computer method for identification of boiler transfer functions

    NASA Technical Reports Server (NTRS)

    Miles, J. H.

    1971-01-01

    An iterative computer method is described for identifying boiler transfer functions using frequency response data. An objective penalized performance measure and a nonlinear minimization technique are used to cause the locus of points generated by a transfer function to resemble the locus of points obtained from frequency response measurements. Different transfer functions can be tried until a satisfactory empirical transfer function to the system is found. To illustrate the method, some examples and some results from a study of a set of data consisting of measurements of the inlet impedance of a single tube forced flow boiler with inserts are given.

  12. SAR/QSAR methods in public health practice

    SciTech Connect

    Demchuk, Eugene Ruiz, Patricia; Chou, Selene; Fowler, Bruce A.

    2011-07-15

    Methods of (Quantitative) Structure-Activity Relationship ((Q)SAR) modeling play an important and active role in ATSDR programs in support of the Agency mission to protect human populations from exposure to environmental contaminants. They are used for cross-chemical extrapolation to complement the traditional toxicological approach when chemical-specific information is unavailable. SAR and QSAR methods are used to investigate adverse health effects and exposure levels, bioavailability, and pharmacokinetic properties of hazardous chemical compounds. They are applied as a part of an integrated systematic approach in the development of Health Guidance Values (HGVs), such as ATSDR Minimal Risk Levels, which are used to protect populations exposed to toxic chemicals at hazardous waste sites. (Q)SAR analyses are incorporated into ATSDR documents (such as the toxicological profiles and chemical-specific health consultations) to support environmental health assessments, prioritization of environmental chemical hazards, and to improve study design, when filling the priority data needs (PDNs) as mandated by Congress, in instances when experimental information is insufficient. These cases are illustrated by several examples, which explain how ATSDR applies (Q)SAR methods in public health practice.

  13. On a method computing transient wave propagation in ionospheric regions

    NASA Technical Reports Server (NTRS)

    Gray, K. G.; Bowhill, S. A.

    1978-01-01

    A consequence of an exoatmospheric nuclear burst is an electromagnetic pulse (EMP) radiated from it. In a region far enough away from the burst, where nonlinear effects can be ignored, the EMP can be represented by a large-amplitude narrow-time-width plane-wave pulse. If the ionosphere intervenes the origin and destination of the EMP, frequency dispersion can cause significant changes in the original pulse upon reception. A method of computing these dispersive effects of transient wave propagation is summarized. The method described is different from the standard transform techniques and provides physical insight into the transient wave process. The method, although exact, can be used in approximating the early-time transient response of an ionospheric region by a simple integration with only explicit knowledge of the electron density, electron collision frequency, and electron gyrofrequency required. As an illustration of the method, it is applied to a simple example and contrasted with the corresponding transform solution.

  14. Evolutionary computational methods to predict oral bioavailability QSPRs.

    PubMed

    Bains, William; Gilbert, Richard; Sviridenko, Lilya; Gascon, Jose-Miguel; Scoffin, Robert; Birchall, Kris; Harvey, Inman; Caldwell, John

    2002-01-01

    This review discusses evolutionary and adaptive methods for predicting oral bioavailability (OB) from chemical structure. Genetic Programming (GP), a specific form of evolutionary computing, is compared with some other advanced computational methods for OB prediction. The results show that classifying drugs into 'high' and 'low' OB classes on the basis of their structure alone is solvable, and initial models are already producing output that would be useful for pharmaceutical research. The results also suggest that quantitative prediction of OB will be tractable. Critical aspects of the solution will involve the use of techniques that can: (i) handle problems with a very large number of variables (high dimensionality); (ii) cope with 'noisy' data; and (iii) implement binary choices to sub-classify molecules with behavior that are qualitatively different. Detailed quantitative predictions will emerge from more refined models that are hybrids derived from mechanistic models of the biology of oral absorption and the power of advanced computing techniques to predict the behavior of the components of those models in silico. PMID:11865672

  15. Optimum threshold selection method of centroid computation for Gaussian spot

    NASA Astrophysics Data System (ADS)

    Li, Xuxu; Li, Xinyang; Wang, Caixia

    2015-10-01

    Centroid computation of Gaussian spot is often conducted to get the exact position of a target or to measure wave-front slopes in the fields of target tracking and wave-front sensing. Center of Gravity (CoG) is the most traditional method of centroid computation, known as its low algorithmic complexity. However both electronic noise from the detector and photonic noise from the environment reduces its accuracy. In order to improve the accuracy, thresholding is unavoidable before centroid computation, and optimum threshold need to be selected. In this paper, the model of Gaussian spot is established to analyze the performance of optimum threshold under different Signal-to-Noise Ratio (SNR) conditions. Besides, two optimum threshold selection methods are introduced: TmCoG (using m % of the maximum intensity of spot as threshold), and TkCoG ( usingμn +κσ n as the threshold), μn and σn are the mean value and deviation of back noise. Firstly, their impact on the detection error under various SNR conditions is simulated respectively to find the way to decide the value of k or m. Then, a comparison between them is made. According to the simulation result, TmCoG is superior over TkCoG for the accuracy of selected threshold, and detection error is also lower.

  16. ALFRED: A Practical Method for Alignment-Free Distance Computation.

    PubMed

    Thankachan, Sharma V; Chockalingam, Sriram P; Liu, Yongchao; Apostolico, Alberto; Aluru, Srinivas

    2016-06-01

    Alignment-free approaches are gaining persistent interest in many sequence analysis applications such as phylogenetic inference and metagenomic classification/clustering, especially for large-scale sequence datasets. Besides the widely used k-mer methods, the average common substring (ACS) approach has emerged to be one of the well-known alignment-free approaches. Two recent works further generalize this ACS approach by allowing a bounded number k of mismatches in the common substrings, relying on approximation (linear time) and exact computation, respectively. Albeit having a good worst-case time complexity [Formula: see text], the exact approach is complex and unlikely to be efficient in practice. Herein, we present ALFRED, an alignment-free distance computation method, which solves the generalized common substring search problem via exact computation. Compared to the theoretical approach, our algorithm is easier to implement and more practical to use, while still providing highly competitive theoretical performances with an expected run-time of [Formula: see text]. By applying our program to phylogenetic inference as a case study, we find that our program facilitates to exactly reconstruct the topology of the reference phylogenetic tree for a set of 27 primate mitochondrial genomes, at reasonably acceptable speed. ALFRED is implemented in C++ programming language and the source code is freely available online. PMID:27138275

  17. Evolutionary computational methods to predict oral bioavailability QSPRs.

    PubMed

    Bains, William; Gilbert, Richard; Sviridenko, Lilya; Gascon, Jose-Miguel; Scoffin, Robert; Birchall, Kris; Harvey, Inman; Caldwell, John

    2002-01-01

    This review discusses evolutionary and adaptive methods for predicting oral bioavailability (OB) from chemical structure. Genetic Programming (GP), a specific form of evolutionary computing, is compared with some other advanced computational methods for OB prediction. The results show that classifying drugs into 'high' and 'low' OB classes on the basis of their structure alone is solvable, and initial models are already producing output that would be useful for pharmaceutical research. The results also suggest that quantitative prediction of OB will be tractable. Critical aspects of the solution will involve the use of techniques that can: (i) handle problems with a very large number of variables (high dimensionality); (ii) cope with 'noisy' data; and (iii) implement binary choices to sub-classify molecules with behavior that are qualitatively different. Detailed quantitative predictions will emerge from more refined models that are hybrids derived from mechanistic models of the biology of oral absorption and the power of advanced computing techniques to predict the behavior of the components of those models in silico.

  18. Approximation method to compute domain related integrals in structural studies

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    Various engineering calculi use integral calculus in theoretical models, i.e. analytical and numerical models. For usual problems, integrals have mathematical exact solutions. If the domain of integration is complicated, there may be used several methods to calculate the integral. The first idea is to divide the domain in smaller sub-domains for which there are direct calculus relations, i.e. in strength of materials the bending moment may be computed in some discrete points using the graphical integration of the shear force diagram, which usually has a simple shape. Another example is in mathematics, where the surface of a subgraph may be approximated by a set of rectangles or trapezoids used to calculate the definite integral. The goal of the work is to introduce our studies about the calculus of the integrals in the transverse section domains, computer aided solutions and a generalizing method. The aim of our research is to create general computer based methods to execute the calculi in structural studies. Thus, we define a Boolean algebra which operates with ‘simple’ shape domains. This algebraic standpoint uses addition and subtraction, conditioned by the sign of every ‘simple’ shape (-1 for the shapes to be subtracted). By ‘simple’ shape or ‘basic’ shape we define either shapes for which there are direct calculus relations, or domains for which their frontiers are approximated by known functions and the according calculus is carried out using an algorithm. The ‘basic’ shapes are linked to the calculus of the most significant stresses in the section, refined aspect which needs special attention. Starting from this idea, in the libraries of ‘basic’ shapes, there were included rectangles, ellipses and domains whose frontiers are approximated by spline functions. The domain triangularization methods suggested that another ‘basic’ shape to be considered is the triangle. The subsequent phase was to deduce the exact relations for the

  19. Tensor product decomposition methods for plasmas physics computations

    NASA Astrophysics Data System (ADS)

    Del-Castillo-Negrete, D.

    2012-03-01

    Tensor product decomposition (TPD) methods are a powerful linear algebra technique for the efficient representation of high dimensional data sets. In the simplest 2-dimensional case, TPD reduces to the singular value decomposition (SVD) of matrices. These methods, which are closely related to proper orthogonal decomposition techniques, have been extensively applied in signal and image processing, and to some fluid mechanics problems. However, their use in plasma physics computation is relatively new. Some recent applications include: data compression of 6-dimensional gyrokinetic plasma turbulence data sets,footnotetextD. R. Hatch, D. del-Castillo-Negrete, and P. W. Terry. Submitted to Journal Comp. Phys. (2011). noise reduction in particle methods,footnotetextR. Nguyen, D. del-Castillo-Negrete, K. Schneider, M. Farge, and G. Chen: Journal of Comp. Phys. 229, 2821-2839 (2010). and multiscale analysis of plasma turbulence.footnotetextS. Futatani, S. Benkadda, and D. del-Castillo-Negrete: Phys. of Plasmas, 16, 042506 (2009) The goal of this presentation is to discuss a novel application of TPD methods to projective integration of particle-based collisional plasma transport computations.

  20. Alternative methods of obtaining the computed tomography dose index.

    PubMed

    Knox, H H; Gagne, R M

    1996-08-01

    The most direct way of getting the value of the multiple scan average dose (MSAD) in computed tomography is to employ a pencil chamber for integration of a single scan dose profile. Because the active length of the pencil chamber is fixed, the measurement can represent the value of the MSAD from a different number of contiguous scans depending on the slice thickness. This characteristic makes it difficult to compare the value of MSAD using the pencil chamber to the information required by Federal regulations on the computed tomography dose index (CTDI). The CTDI, which is the MAD at the center of a set of 14 contiguous scans, is the dose descriptor used in the Federal Performance Standard. Two alternative methods were developed to make the CTDI measurements at the center of a CT dosimetry phantom. These alternative methods were compared to the results of thermoluminescent dosimeter (TLD) measurements from more than 20 different CT scanners. One alternative method involved the use of radio-opaque sleeves with the pencil chamber to limit the length of the single scan dose profile incident on the pencil chamber. In addition, the TLD data were also used to obtain a set of conversion factors for converting the results of a measurement with the pencil chamber without a radio-opaque sleeve to a value of the CTDI. The alternative methods of obtaining the CTDI agree on the average to better than 10% for all values of slice thickness on the different CT scanners.

  1. New developments in the multiscale hybrid energy density computational method

    NASA Astrophysics Data System (ADS)

    Min, Sun; Shanying, Wang; Dianwu, Wang; Chongyu, Wang

    2016-01-01

    Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. (i) The theoretical method for the determination of the weight parameter in the energy coupling equation of transition region in multiscale model is given via constructing underdetermined equations. (ii) By applying the developed mathematical method, the weight parameters have been given and used to treat some problems in homogeneous charge density systems, which are directly related with multiscale science. (iii) A theoretical algorithm has also been presented for treating non-homogeneous systems of charge density. The key to the theoretical computational methods is the decomposition of the electrostatic energy in the total energy of density functional theory for probing the spanning characteristic at atomic scale, layer by layer, by which the choice of chemical elements and the defect complex effect can be understood deeply. (iv) The numerical computational program and design have also been presented. Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

  2. Adaptive Mesh Refinement in Computational Astrophysics -- Methods and Applications

    NASA Astrophysics Data System (ADS)

    Balsara, D.

    2001-12-01

    The advent of robust, reliable and accurate higher order Godunov schemes for many of the systems of equations of interest in computational astrophysics has made it important to understand how to solve them in multi-scale fashion. This is so because the physics associated with astrophysical phenomena evolves in multi-scale fashion and we wish to arrive at a multi-scale simulational capability to represent the physics. Because astrophysical systems have magnetic fields, multi-scale magnetohydrodynamics (MHD) is of especial interest. In this paper we first discuss general issues in adaptive mesh refinement (AMR). We then focus on the important issues in carrying out divergence-free AMR-MHD and catalogue the progress we have made in that area. We show that AMR methods lend themselves to easy parallelization. We then discuss applications of the RIEMANN framework for AMR-MHD to problems in computational astophysics.

  3. COMSAC: Computational Methods for Stability and Control. Part 2

    NASA Technical Reports Server (NTRS)

    Fremaux, C. Michael (Compiler); Hall, Robert M. (Compiler)

    2004-01-01

    The unprecedented advances being made in computational fluid dynamic (CFD) technology have demonstrated the powerful capabilities of codes in applications to civil and military aircraft. Used in conjunction with wind-tunnel and flight investigations, many codes are now routinely used by designers in diverse applications such as aerodynamic performance predictions and propulsion integration. Typically, these codes are most reliable for attached, steady, and predominantly turbulent flows. As a result of increasing reliability and confidence in CFD, wind-tunnel testing for some new configurations has been substantially reduced in key areas, such as wing trade studies for mission performance guarantees. Interest is now growing in the application of computational methods to other critical design challenges. One of the most important disciplinary elements for civil and military aircraft is prediction of stability and control characteristics. CFD offers the potential for significantly increasing the basic understanding, prediction, and control of flow phenomena associated with requirements for satisfactory aircraft handling characteristics.

  4. An analytical method for computing atomic contact areas in biomolecules.

    PubMed

    Mach, Paul; Koehl, Patrice

    2013-01-15

    We propose a new analytical method for detecting and computing contacts between atoms in biomolecules. It is based on the alpha shape theory and proceeds in three steps. First, we compute the weighted Delaunay triangulation of the union of spheres representing the molecule. In the second step, the Delaunay complex is filtered to derive the dual complex. Finally, contacts between spheres are collected. In this approach, two atoms i and j are defined to be in contact if their centers are connected by an edge in the dual complex. The contact areas between atom i and its neighbors are computed based on the caps formed by these neighbors on the surface of i; the total area of all these caps is partitioned according to their spherical Laguerre Voronoi diagram on the surface of i. This method is analytical and its implementation in a new program BallContact is fast and robust. We have used BallContact to study contacts in a database of 1551 high resolution protein structures. We show that with this new definition of atomic contacts, we generate realistic representations of the environments of atoms and residues within a protein. In particular, we establish the importance of nonpolar contact areas that complement the information represented by the accessible surface areas. This new method bears similarity to the tessellation methods used to quantify atomic volumes and contacts, with the advantage that it does not require the presence of explicit solvent molecules if the surface of the protein is to be considered. © 2012 Wiley Periodicals, Inc.

  5. PREFACE: Theory, Modelling and Computational methods for Semiconductors

    NASA Astrophysics Data System (ADS)

    Migliorato, Max; Probert, Matt

    2010-04-01

    These conference proceedings contain the written papers of the contributions presented at the 2nd International Conference on: Theory, Modelling and Computational methods for Semiconductors. The conference was held at the St Williams College, York, UK on 13th-15th Jan 2010. The previous conference in this series took place in 2008 at the University of Manchester, UK. The scope of this conference embraces modelling, theory and the use of sophisticated computational tools in Semiconductor science and technology, where there is a substantial potential for time saving in R&D. The development of high speed computer architectures is finally allowing the routine use of accurate methods for calculating the structural, thermodynamic, vibrational and electronic properties of semiconductors and their heterostructures. This workshop ran for three days, with the objective of bringing together UK and international leading experts in the field of theory of group IV, III-V and II-VI semiconductors together with postdocs and students in the early stages of their careers. The first day focused on providing an introduction and overview of this vast field, aimed particularly at students at this influential point in their careers. We would like to thank all participants for their contribution to the conference programme and these proceedings. We would also like to acknowledge the financial support from the Institute of Physics (Computational Physics group and Semiconductor Physics group), the UK Car-Parrinello Consortium, Accelrys (distributors of Materials Studio) and Quantumwise (distributors of Atomistix). The Editors Acknowledgements Conference Organising Committee: Dr Matt Probert (University of York) and Dr Max Migliorato (University of Manchester) Programme Committee: Dr Marco Califano (University of Leeds), Dr Jacob Gavartin (Accelrys Ltd, Cambridge), Dr Stanko Tomic (STFC Daresbury Laboratory), Dr Gabi Slavcheva (Imperial College London) Proceedings edited and compiled by Dr

  6. Multiscale Methods, Parallel Computation, and Neural Networks for Real-Time Computer Vision.

    NASA Astrophysics Data System (ADS)

    Battiti, Roberto

    1990-01-01

    This thesis presents new algorithms for low and intermediate level computer vision. The guiding ideas in the presented approach are those of hierarchical and adaptive processing, concurrent computation, and supervised learning. Processing of the visual data at different resolutions is used not only to reduce the amount of computation necessary to reach the fixed point, but also to produce a more accurate estimation of the desired parameters. The presented adaptive multiple scale technique is applied to the problem of motion field estimation. Different parts of the image are analyzed at a resolution that is chosen in order to minimize the error in the coefficients of the differential equations to be solved. Tests with video-acquired images show that velocity estimation is more accurate over a wide range of motion with respect to the homogeneous scheme. In some cases introduction of explicit discontinuities coupled to the continuous variables can be used to avoid propagation of visual information from areas corresponding to objects with different physical and/or kinematic properties. The human visual system uses concurrent computation in order to process the vast amount of visual data in "real -time." Although with different technological constraints, parallel computation can be used efficiently for computer vision. All the presented algorithms have been implemented on medium grain distributed memory multicomputers with a speed-up approximately proportional to the number of processors used. A simple two-dimensional domain decomposition assigns regions of the multiresolution pyramid to the different processors. The inter-processor communication needed during the solution process is proportional to the linear dimension of the assigned domain, so that efficiency is close to 100% if a large region is assigned to each processor. Finally, learning algorithms are shown to be a viable technique to engineer computer vision systems for different applications starting from

  7. Computation of multi-material interactions using point method

    SciTech Connect

    Zhang, Duan Z; Ma, Xia; Giguere, Paul T

    2009-01-01

    Calculations of fluid flows are often based on Eulerian description, while calculations of solid deformations are often based on Lagrangian description of the material. When the Eulerian descriptions are used to problems of solid deformations, the state variables, such as stress and damage, need to be advected, causing significant numerical diffusion error. When Lagrangian methods are used to problems involving large solid deformat ions or fluid flows, mesh distortion and entanglement are significant sources of error, and often lead to failure of the calculation. There are significant difficulties for either method when applied to problems involving large deformation of solids. To address these difficulties, particle-in-cell (PIC) method is introduced in the 1960s. In the method Eulerian meshes stay fixed and the Lagrangian particles move through the Eulerian meshes during the material deformation. Since its introduction, many improvements to the method have been made. The work of Sulsky et al. (1995, Comput. Phys. Commun. v. 87, pp. 236) provides a mathematical foundation for an improved version, material point method (MPM) of the PIC method. The unique advantages of the MPM method have led to many attempts of applying the method to problems involving interaction of different materials, such as fluid-structure interactions. These problems are multiphase flow or multimaterial deformation problems. In these problems pressures, material densities and volume fractions are determined by satisfying the continuity constraint. However, due to the difference in the approximations between the material point method and the Eulerian method, erroneous results for pressure will be obtained if the same scheme used in Eulerian methods for multiphase flows is used to calculate the pressure. To resolve this issue, we introduce a numerical scheme that satisfies the continuity requirement to higher order of accuracy in the sense of weak solutions for the continuity equations

  8. Optimizing neural networks for river flow forecasting - Evolutionary Computation methods versus the Levenberg-Marquardt approach

    NASA Astrophysics Data System (ADS)

    Piotrowski, Adam P.; Napiorkowski, Jarosław J.

    2011-09-01

    SummaryAlthough neural networks have been widely applied to various hydrological problems, including river flow forecasting, for at least 15 years, they have usually been trained by means of gradient-based algorithms. Recently nature inspired Evolutionary Computation algorithms have rapidly developed as optimization methods able to cope not only with non-differentiable functions but also with a great number of local minima. Some of proposed Evolutionary Computation algorithms have been tested for neural networks training, but publications which compare their performance with gradient-based training methods are rare and present contradictory conclusions. The main goal of the present study is to verify the applicability of a number of recently developed Evolutionary Computation optimization methods, mostly from the Differential Evolution family, to multi-layer perceptron neural networks training for daily rainfall-runoff forecasting. In the present paper eight Evolutionary Computation methods, namely the first version of Differential Evolution (DE), Distributed DE with Explorative-Exploitative Population Families, Self-Adaptive DE, DE with Global and Local Neighbors, Grouping DE, JADE, Comprehensive Learning Particle Swarm Optimization and Efficient Population Utilization Strategy Particle Swarm Optimization are tested against the Levenberg-Marquardt algorithm - probably the most efficient in terms of speed and success rate among gradient-based methods. The Annapolis River catchment was selected as the area of this study due to its specific climatic conditions, characterized by significant seasonal changes in runoff, rapid floods, dry summers, severe winters with snowfall, snow melting, frequent freeze and thaw, and presence of river ice - conditions which make flow forecasting more troublesome. The overall performance of the Levenberg-Marquardt algorithm and the DE with Global and Local Neighbors method for neural networks training turns out to be superior to other

  9. A novel computational method for comparing vibrational circular dichroism spectra.

    PubMed

    Shen, Jian; Zhu, Chengyue; Reiling, Stephan; Vaz, Roy

    2010-08-01

    A novel method, SimIR/VCD, for comparing experimental and calculated VCD (vibrational circular dichroism) spectra is developed, based on newly defined spectra similarities. With computationally optimized frequency scaling and shifting, a calculated spectrum can be easily identified to match an observed spectrum, which leads to an unbiased molecular chirality assignment. The time-consuming manual band-fitting work is greatly reduced. With (1S)-(-)-alpha-pinene as an example, it demonstrates that the calculated VCD similarity is correlated with VCD spectra matching quality and has enough sensitivity to identify variations in the spectra. The study also compares spectra calculated using different DFT methods and basis sets. Using this method should facilitate the spectra matching, reduce human error and provide a confidence measure in the chiral assignment using VCD spectroscopy.

  10. Comparison of different simulation methods for multiplane computer generated holograms

    NASA Astrophysics Data System (ADS)

    Kämpfe, Thomas; Hudelist, Florian; Waddie, Andrew J.; Taghizadeh, Mohammad R.; Kley, Ernst-Bernhard; Tunnermann, Andreas

    2008-04-01

    Computer generated holograms (CGH) are used to transform an incoming light distribution into a desired output. Recently multi plane CGHs became of interest since they allow the combination of some well known design methods for thin CGHs with unique properties of thick holograms. Iterative methods like the iterative Fourier transform algorithm (IFTA) require an operator that transforms a required optical function into an actual physical structure (e.g. a height structure). Commonly the thin element approximation (TEA) is used for this purpose. Together with the angular spectrum of plane waves (APSW) it has also been successfully used in the case of multi plane CGHs. Of course, due to the approximations inherent in TEA, it can only be applied above a certain feature size. In this contribution we want to give a first comparison of the TEA & ASPW approach with simulation results from the Fourier modal method (FMM) for the example of one dimensional, pattern generating, multi plane CGH.

  11. A modified Henyey method for computing radiative transfer hydrodynamics

    NASA Technical Reports Server (NTRS)

    Karp, A. H.

    1975-01-01

    The implicit hydrodynamic code of Kutter and Sparks (1972), which is limited to optically thick regions and employs the diffusion approximation for radiative transfer, is modified to include radiative transfer effects in the optically thin regions of a model star. A modified Henyey method is used to include the solution of the radiative transfer equation in this implicit code, and the convergence properties of this method are proven. A comparison is made between two hydrodynamic models of a classical Cepheid with a 12-day period, one of which was computed with the diffusion approximation and the other with the modified Henyey method. It is found that the two models produce nearly identical light and velocity curves, but differ in the fact that the former never has temperature inversions in the atmosphere while the latter does when sufficiently strong shocks are present.

  12. On implicit Runge-Kutta methods for parallel computations

    NASA Technical Reports Server (NTRS)

    Keeling, Stephen L.

    1987-01-01

    Implicit Runge-Kutta methods which are well-suited for parallel computations are characterized. It is claimed that such methods are first of all, those for which the associated rational approximation to the exponential has distinct poles, and these are called multiply explicit (MIRK) methods. Also, because of the so-called order reduction phenomenon, there is reason to require that these poles be real. Then, it is proved that a necessary condition for a q-stage, real MIRK to be A sub 0-stable with maximal order q + 1 is that q = 1, 2, 3, or 5. Nevertheless, it is shown that for every positive integer q, there exists a q-stage, real MIRK which is I-stable with order q. Finally, some useful examples of algebraically stable MIRKs are given.

  13. Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems

    SciTech Connect

    Cai, Wei

    2014-05-15

    Understanding electromagnetic phenomena is the key in many scientific investigation and engineering designs such as solar cell designs, studying biological ion channels for diseases, and creating clean fusion energies, among other things. The objectives of the project are to develop high order numerical methods to simulate evanescent electromagnetic waves occurring in plasmon solar cells and biological ion-channels, where local field enhancement within random media in the former and long range electrostatic interactions in the latter are of major challenges for accurate and efficient numerical computations. We have accomplished these objectives by developing high order numerical methods for solving Maxwell equations such as high order finite element basis for discontinuous Galerkin methods, well-conditioned Nedelec edge element method, divergence free finite element basis for MHD, and fast integral equation methods for layered media. These methods can be used to model the complex local field enhancement in plasmon solar cells. On the other hand, to treat long range electrostatic interaction in ion channels, we have developed image charge based method for a hybrid model in combining atomistic electrostatics and continuum Poisson-Boltzmann electrostatics. Such a hybrid model will speed up the molecular dynamics simulation of transport in biological ion-channels.

  14. Review methods for image segmentation from computed tomography images

    SciTech Connect

    Mamat, Nurwahidah; Rahman, Wan Eny Zarina Wan Abdul; Soh, Shaharuddin Cik; Mahmud, Rozi

    2014-12-04

    Image segmentation is a challenging process in order to get the accuracy of segmentation, automation and robustness especially in medical images. There exist many segmentation methods that can be implemented to medical images but not all methods are suitable. For the medical purposes, the aims of image segmentation are to study the anatomical structure, identify the region of interest, measure tissue volume to measure growth of tumor and help in treatment planning prior to radiation therapy. In this paper, we present a review method for segmentation purposes using Computed Tomography (CT) images. CT images has their own characteristics that affect the ability to visualize anatomic structures and pathologic features such as blurring of the image and visual noise. The details about the methods, the goodness and the problem incurred in the methods will be defined and explained. It is necessary to know the suitable segmentation method in order to get accurate segmentation. This paper can be a guide to researcher to choose the suitable segmentation method especially in segmenting the images from CT scan.

  15. Radiation Transport Computation in Stochastic Media: Method and Application

    NASA Astrophysics Data System (ADS)

    Liang, Chao

    Stochastic media, characterized by the stochastic distribution of inclusions in a background medium, are typical radiation transport media encountered in natural or engineering systems. In the community of radiation transport computation, there is always a demand of accurate and efficient methods that can account for the nature of the stochastic distribution. In this dissertation, we focus on methodology development for the radiation transport computation that is applied to neutronic analyses of nuclear reactor designs characterized by the stochastic distribution of particle fuel. Reactor concepts with the employment of a fuel design consisting of a random heterogeneous mixture of fissile material and non-fissile moderator are constantly proposed. Key physical quantities such as core criticality and power distribution, reactivity control design parameters, depletion and fuel burn-up need to be carefully evaluated. In order to meet these practical requirements, we first need to develop accurate and fast computational methods that can effectively account for the stochastic nature of double heterogeneity configuration. A Monte Carlo based method called Chord Length Sampling (CLS) method is considered to be a promising method for analyzing those TRISO-type fueled reactors. Although the CLS method has been proposed for more than two decades and much research has been conducted to enhance its applicability, further efforts are still needed to address some key research gaps that exist for the CLS method. (1) There is a general lack of thorough investigation of the factors that give rise to the inaccuracy of the CLS method found by many researchers. The accuracy of the CLS method depends on the optical and geometric properties of the system. In some specific scenarios, considerable inaccuracies have been reported. However, no research has been providing a clear interpretation of the reasons responsible for the inaccuracy in the reported scenarios. Furthermore, no any

  16. A Lattice-Boltzmann Method for Partially Saturated Computational Cells

    NASA Astrophysics Data System (ADS)

    Noble, D. R.; Torczynski, J. R.

    The lattice-Boltzmann (LB) method is applied to complex, moving geometries in which computational cells are partially filled with fluid. The LB algorithm is modified to include a term that depends on the percentage of the cell saturated with fluid. The method is useful for modeling suspended obstacles that do not conform to the grid. Another application is to simulations of flow through reconstructed media that are not easily segmented into solid and liquid regions. A detailed comparison is made with FIDAP simulation results for the flow about a periodic line of cylinders in a channel at a non-zero Reynolds number. Two cases are examined. In the first simulation, the cylinders are given a constant velocity along the axis of the channel, and the steady solution is acquired. The transient behavior of the system is then studied by giving the cylinders an oscillatory velocity. For both steady and oscillatory flows, the method provides excellent agreement with FIDAP simulation results, even at locations close to the surface of a cylinder. In contrast to step-like solutions produced using the "bounce-back" condition, the proposed condition gives close agreement with the smooth FIDAP predictions. Computed drag forces with the proposed condition exhibit apparent quadratic convergence with grid refinement rather than the linear convergence exhibited by other LB boundary conditions.

  17. A Novel Automated Method for Analyzing Cylindrical Computed Tomography Data

    NASA Technical Reports Server (NTRS)

    Roth, D. J.; Burke, E. R.; Rauser, R. W.; Martin, R. E.

    2011-01-01

    A novel software method is presented that is applicable for analyzing cylindrical and partially cylindrical objects inspected using computed tomography. This method involves unwrapping and re-slicing data so that the CT data from the cylindrical object can be viewed as a series of 2-D sheets in the vertical direction in addition to volume rendering and normal plane views provided by traditional CT software. The method is based on interior and exterior surface edge detection and under proper conditions, is FULLY AUTOMATED and requires no input from the user except the correct voxel dimension from the CT scan. The software is available from NASA in 32- and 64-bit versions that can be applied to gigabyte-sized data sets, processing data either in random access memory or primarily on the computer hard drive. Please inquire with the presenting author if further interested. This software differentiates itself in total from other possible re-slicing software solutions due to complete automation and advanced processing and analysis capabilities.

  18. An Overview of a Decade of Journal Publications about Culture and Human-Computer Interaction (HCI)

    NASA Astrophysics Data System (ADS)

    Clemmensen, Torkil; Roese, Kerstin

    In this paper, we analyze the concept of human-computer interaction in cultural and national contexts. Building and extending upon the framework for understanding research in usability and culture by Honold [3], we give an overview of publications in culture and HCI between 1998 and 2008, with a narrow focus on high-level journal publications only. The purpose is to review current practice in how cultural HCI issues are studied, and to analyse problems with the measures and interpretation of this studies. We find that Hofstede's cultural dimensions has been the dominating model of culture, participants have been picked because they could speak English, and most studies have been large scale quantitative studies. In order to balance this situation, we recommend that more researchers and practitioners do qualitative, empirical work studies.

  19. Fan Flutter Computations Using the Harmonic Balance Method

    NASA Technical Reports Server (NTRS)

    Bakhle, Milind A.; Thomas, Jeffrey P.; Reddy, T.S.R.

    2009-01-01

    An experimental forward-swept fan encountered flutter at part-speed conditions during wind tunnel testing. A new propulsion aeroelasticity code, based on a computational fluid dynamics (CFD) approach, was used to model the aeroelastic behavior of this fan. This threedimensional code models the unsteady flowfield due to blade vibrations using a harmonic balance method to solve the Navier-Stokes equations. This paper describes the flutter calculations and compares the results to experimental measurements and previous results from a time-accurate propulsion aeroelasticity code.

  20. Method and apparatus for managing transactions with connected computers

    DOEpatents

    Goldsmith, Steven Y.; Phillips, Laurence R.; Spires, Shannon V.

    2003-01-01

    The present invention provides a method and apparatus that make use of existing computer and communication resources and that reduce the errors and delays common to complex transactions such as international shipping. The present invention comprises an agent-based collaborative work environment that assists geographically distributed commercial and government users in the management of complex transactions such as the transshipment of goods across the U.S.-Mexico border. Software agents can mediate the creation, validation and secure sharing of shipment information and regulatory documentation over the Internet, using the World-Wide Web to interface with human users.

  1. [THE ROLE OF COMPUTER TOMOGRAPHY WHILE CHOOSING THE ABDOMINOPLASTY METHOD].

    PubMed

    Galych, S P; Symulyk, E V

    2016-03-01

    The role of computer tomography (CT), while choosing the abdominoplasty method in the patients with different types of the anterior abdominal wall deformity present. For CT date the anterior abdominal wall deformity type was determined in the accordance to it--the operation volume needed. Depending on the changes degree the patients were divided on 5 groups, and in accordance to the deformity type present a necessary correction was made. The CT application have had permitted to determine the changes degree in the anterior abdominal wall, and to choose a necessary volume of abdominoplasty precisely. PMID:27514090

  2. Experiences with the Lanczos method on a parallel computer

    NASA Technical Reports Server (NTRS)

    Bostic, Susan W.; Fulton, Robert E.

    1987-01-01

    A parallel computer implementation of the Lanczos method for the free-vibration analysis of structures is considered, and results for two example problems show substantial time-reduction over the sequential solutions. The major Lanczos calculation tasks are subdivided into subtasks, and parallelism is introduced at the subtask level. A speedup of 7.8 on eight processors was obtained for the decomposition step of the problem involving a 60-m three-longeron space mast, and a speedup of 14.6 on 16 processors was obtained for the decomposition step of the problem involving a blade-stiffened graphite-epoxy panel.

  3. A hybrid method for the parallel computation of Green's functions

    SciTech Connect

    Petersen, Dan Erik; Li Song; Stokbro, Kurt; Sorensen, Hans Henrik B.; Hansen, Per Christian; Skelboe, Stig; Darve, Eric

    2009-08-01

    Quantum transport models for nanodevices using the non-equilibrium Green's function method require the repeated calculation of the block tridiagonal part of the Green's and lesser Green's function matrices. This problem is related to the calculation of the inverse of a sparse matrix. Because of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green's and lesser Green's function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only require computing a small number of entries of the inverse matrix. Then, we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size.

  4. Computational methods for studying G protein-coupled receptors (GPCRs).

    PubMed

    Kaczor, Agnieszka A; Rutkowska, Ewelina; Bartuzi, Damian; Targowska-Duda, Katarzyna M; Matosiuk, Dariusz; Selent, Jana

    2016-01-01

    The functioning of GPCRs is classically described by the ternary complex model as the interplay of three basic components: a receptor, an agonist, and a G protein. According to this model, receptor activation results from an interaction with an agonist, which translates into the activation of a particular G protein in the intracellular compartment that, in turn, is able to initiate particular signaling cascades. Extensive studies on GPCRs have led to new findings which open unexplored and exciting possibilities for drug design and safer and more effective treatments with GPCR targeting drugs. These include discovery of novel signaling mechanisms such as ligand promiscuity resulting in multitarget ligands and signaling cross-talks, allosteric modulation, biased agonism, and formation of receptor homo- and heterodimers and oligomers which can be efficiently studied with computational methods. Computer-aided drug design techniques can reduce the cost of drug development by up to 50%. In particular structure- and ligand-based virtual screening techniques are a valuable tool for identifying new leads and have been shown to be especially efficient for GPCRs in comparison to water-soluble proteins. Modern computer-aided approaches can be helpful for the discovery of compounds with designed affinity profiles. Furthermore, homology modeling facilitated by a growing number of available templates as well as molecular docking supported by sophisticated techniques of molecular dynamics and quantitative structure-activity relationship models are an excellent source of information about drug-receptor interactions at the molecular level. PMID:26928552

  5. An experiment in hurricane track prediction using parallel computing methods

    NASA Technical Reports Server (NTRS)

    Song, Chang G.; Jwo, Jung-Sing; Lakshmivarahan, S.; Dhall, S. K.; Lewis, John M.; Velden, Christopher S.

    1994-01-01

    The barotropic model is used to explore the advantages of parallel processing in deterministic forecasting. We apply this model to the track forecasting of hurricane Elena (1985). In this particular application, solutions to systems of elliptic equations are the essence of the computational mechanics. One set of equations is associated with the decomposition of the wind into irrotational and nondivergent components - this determines the initial nondivergent state. Another set is associated with recovery of the streamfunction from the forecasted vorticity. We demonstrate that direct parallel methods based on accelerated block cyclic reduction (BCR) significantly reduce the computational time required to solve the elliptic equations germane to this decomposition and forecast problem. A 72-h track prediction was made using incremental time steps of 16 min on a network of 3000 grid points nominally separated by 100 km. The prediction took 30 sec on the 8-processor Alliant FX/8 computer. This was a speed-up of 3.7 when compared to the one-processor version. The 72-h prediction of Elena's track was made as the storm moved toward Florida's west coast. Approximately 200 km west of Tampa Bay, Elena executed a dramatic recurvature that ultimately changed its course toward the northwest. Although the barotropic track forecast was unable to capture the hurricane's tight cycloidal looping maneuver, the subsequent northwesterly movement was accurately forecasted as was the location and timing of landfall near Mobile Bay.

  6. Applications of Computational Methods for Dynamic Stability and Control Derivatives

    NASA Technical Reports Server (NTRS)

    Green, Lawrence L.; Spence, Angela M.

    2004-01-01

    Initial steps in the application o f a low-order panel method computational fluid dynamic (CFD) code to the calculation of aircraft dynamic stability and control (S&C) derivatives are documented. Several capabilities, unique to CFD but not unique to this particular demonstration, are identified and demonstrated in this paper. These unique capabilities complement conventional S&C techniques and they include the ability to: 1) perform maneuvers without the flow-kinematic restrictions and support interference commonly associated with experimental S&C facilities, 2) easily simulate advanced S&C testing techniques, 3) compute exact S&C derivatives with uncertainty propagation bounds, and 4) alter the flow physics associated with a particular testing technique from those observed in a wind or water tunnel test in order to isolate effects. Also presented are discussions about some computational issues associated with the simulation of S&C tests and selected results from numerous surface grid resolution studies performed during the course of the study.

  7. Computation of Sound Propagation by Boundary Element Method

    NASA Technical Reports Server (NTRS)

    Guo, Yueping

    2005-01-01

    This report documents the development of a Boundary Element Method (BEM) code for the computation of sound propagation in uniform mean flows. The basic formulation and implementation follow the standard BEM methodology; the convective wave equation and the boundary conditions on the surfaces of the bodies in the flow are formulated into an integral equation and the method of collocation is used to discretize this equation into a matrix equation to be solved numerically. New features discussed here include the formulation of the additional terms due to the effects of the mean flow and the treatment of the numerical singularities in the implementation by the method of collocation. The effects of mean flows introduce terms in the integral equation that contain the gradients of the unknown, which is undesirable if the gradients are treated as additional unknowns, greatly increasing the sizes of the matrix equation, or if numerical differentiation is used to approximate the gradients, introducing numerical error in the computation. It is shown that these terms can be reformulated in terms of the unknown itself, making the integral equation very similar to the case without mean flows and simple for numerical implementation. To avoid asymptotic analysis in the treatment of numerical singularities in the method of collocation, as is conventionally done, we perform the surface integrations in the integral equation by using sub-triangles so that the field point never coincide with the evaluation points on the surfaces. This simplifies the formulation and greatly facilitates the implementation. To validate the method and the code, three canonic problems are studied. They are respectively the sound scattering by a sphere, the sound reflection by a plate in uniform mean flows and the sound propagation over a hump of irregular shape in uniform flows. The first two have analytical solutions and the third is solved by the method of Computational Aeroacoustics (CAA), all of which

  8. Open Rotor Computational Aeroacoustic Analysis with an Immersed Boundary Method

    NASA Technical Reports Server (NTRS)

    Brehm, Christoph; Barad, Michael F.; Kiris, Cetin C.

    2016-01-01

    Reliable noise prediction capabilities are essential to enable novel fuel efficient open rotor designs that can meet the community and cabin noise standards. Toward this end, immersed boundary methods have reached a level of maturity so that they are being frequently employed for specific real world applications within NASA. This paper demonstrates that our higher-order immersed boundary method provides the ability for aeroacoustic analysis of wake-dominated flow fields generated by highly complex geometries. This is the first of a kind aeroacoustic simulation of an open rotor propulsion system employing an immersed boundary method. In addition to discussing the peculiarities of applying the immersed boundary method to this moving boundary problem, we will provide a detailed aeroacoustic analysis of the noise generation mechanisms encountered in the open rotor flow. The simulation data is compared to available experimental data and other computational results employing more conventional CFD methods. The noise generation mechanisms are analyzed employing spectral analysis, proper orthogonal decomposition and the causality method.

  9. A bibliography on finite element and related methods analysis in reactor physics computations (1971--1997)

    SciTech Connect

    Carpenter, D.C.

    1998-01-01

    This bibliography provides a list of references on finite element and related methods analysis in reactor physics computations. These references have been published in scientific journals, conference proceedings, technical reports, thesis/dissertations and as chapters in reference books from 1971 to the present. Both English and non-English references are included. All references contained in the bibliography are sorted alphabetically by the first author`s name and a subsort by date of publication. The majority of the references relate to reactor physics analysis using the finite element method. Related topics include the boundary element method, the boundary integral method, and the global element method. All aspects of reactor physics computations relating to these methods are included: diffusion theory, deterministic radiation and neutron transport theory, kinetics, fusion research, particle tracking in finite element grids, and applications. For user convenience, many of the listed references have been categorized. The list of references is not all inclusive. In general, nodal methods were purposely excluded, although a few references do demonstrate characteristics of finite element methodology using nodal methods (usually as a non-conforming element basis). This area could be expanded. The author is aware of several other references (conferences, thesis/dissertations, etc.) that were not able to be independently tracked using available resources and thus were not included in this listing.

  10. Student Publications Enhance Teaching: Experimental Psychology and Research Methods Courses.

    ERIC Educational Resources Information Center

    Ware, Mark E.; Davis, Stephen F.

    Recent years have witnessed an increased emphasis on the professional development of undergraduate psychology students. One major thrust of this professional development has been on research that results in a convention presentation or journal publication. Research leading to journal publication is becoming a requirement for admission to many…

  11. 29 CFR 779.342 - Methods of computing annual volume of sales.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 3 2010-07-01 2010-07-01 false Methods of computing annual volume of sales. 779.342... Establishments Computing Annual Dollar Volume and Combination of Exemptions § 779.342 Methods of computing annual... gross receipts from all sales of the establishment during a 12-month period. The methods of computing...

  12. An integrated-intensity method for emission spectrographic computer analysis

    USGS Publications Warehouse

    Thomas, Catharine P.

    1975-01-01

    An integrated-intensity method has been devised to improve the computer analysis of data by emission spectrography. The area of the intensity profile of a spectral line is approximated by a rectangle whose height is related to the intensity difference between the peak and background of the line and whose width is measured at a fixed transmittance below the apex of the line. The method is illustrated by the determination of strontium in the presence of greater than 10 percent calcium. The Sr 3380.711-A line, which is unaffected by calcium and which has a linear analytical curve extending from 100-3,000 ppm, has been used to determine strontium in 18 standard reference rocks covering a wide range of geologic materials. Both the accuracy and the precision of the determinations were well within the accepted range for a semiquantitative procedure.

  13. Computing thermal Wigner densities with the phase integration method

    SciTech Connect

    Beutier, J.; Borgis, D.; Vuilleumier, R.; Bonella, S.

    2014-08-28

    We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

  14. Parallel computation of meshless methods for explicit dynamic analysis.

    SciTech Connect

    Danielson, K. T.; Hao, S.; Liu, W. K.; Uras, R. A.; Li, S.; Reactor Engineering; Northwestern Univ.; Waterways Experiment Station

    2000-03-10

    A parallel computational implementation of modern meshless methods is presented for explicit dynamic analysis. The procedures are demonstrated by application of the Reproducing Kernel Particle Method (RKPM). Aspects of a coarse grain parallel paradigm are detailed for a Lagrangian formulation using model partitioning. Integration points are uniquely defined on separate processors and particle definitions are duplicated, as necessary, so that all support particles for each point are defined locally on the corresponding processor. Several partitioning schemes are considered and a reduced graph-based procedure is presented. Partitioning issues are discussed and procedures to accommodate essential boundary conditions in parallel are presented. Explicit MPI message passing statements are used for all communications among partitions on different processors. The effectiveness of the procedure is demonstrated by highly deformable inelastic example problems.

  15. Computational analysis of methods for reduction of induced drag

    NASA Technical Reports Server (NTRS)

    Janus, J. M.; Chatterjee, Animesh; Cave, Chris

    1993-01-01

    The purpose of this effort was to perform a computational flow analysis of a design concept centered around induced drag reduction and tip-vortex energy recovery. The flow model solves the unsteady three-dimensional Euler equations, discretized as a finite-volume method, utilizing a high-resolution approximate Riemann solver for cell interface flux definitions. The numerical scheme is an approximately-factored block LU implicit Newton iterative-refinement method. Multiblock domain decomposition is used to partition the field into an ordered arrangement of blocks. Three configurations are analyzed: a baseline fuselage-wing, a fuselage-wing-nacelle, and a fuselage-wing-nacelle-propfan. Aerodynamic force coefficients, propfan performance coefficients, and flowfield maps are used to qualitatively access design efficacy. Where appropriate, comparisons are made with available experimental data.

  16. A computer method for the automatic reduction of spectroscopic data.

    PubMed

    Ditzel, E F; Giddings, L E

    1967-12-01

    A computer program, written in Fortran IV and for use with an associated spectral comparator, has been developed at The Naval Research Laboratory for the purpose of automatically reducing spectroscopic data. A Datex digitalizing magnetic tape recorder in conjunction with a modified Jarrell-Ash microphotometer allows the reading of spectral information from a photographic plate at the rate of twentyfive data pairs per second. Spectra of local interest analyzed by this method are (1) absorption, (2) emission, (3) plasma type, obtained from time-resolved spectroscopic techniques, and (4) solar echellegrams obtained from rocket probings of the upper atmosphere. Markedly useful features of the program are its capabilities of (a) recognizing spectral peaks from a background of variable density, (b) obtaining absolute values for the radiance or irradiance. An essential characteristic of the method is the saving of significant amounts of time in the reduction of photographic spectroscopic data.

  17. Implicit extrapolation methods for multilevel finite element computations

    SciTech Connect

    Jung, M.; Ruede, U.

    1994-12-31

    The finite element package FEMGP has been developed to solve elliptic and parabolic problems arising in the computation of magnetic and thermomechanical fields. FEMGP implements various methods for the construction of hierarchical finite element meshes, a variety of efficient multilevel solvers, including multigrid and preconditioned conjugate gradient iterations, as well as pre- and post-processing software. Within FEMGP, multigrid {tau}-extrapolation can be employed to improve the finite element solution iteratively to higher order. This algorithm is based on an implicit extrapolation, so that the algorithm differs from a regular multigrid algorithm only by a slightly modified computation of the residuals on the finest mesh. Another advantage of this technique is, that in contrast to explicit extrapolation methods, it does not rely on the existence of global error expansions, and therefore neither requires uniform meshes nor global regularity assumptions. In the paper the authors will analyse the {tau}-extrapolation algorithm and present experimental results in the context of the FEMGP package. Furthermore, the {tau}-extrapolation results will be compared to higher order finite element solutions.

  18. A fast phase space method for computing creeping rays

    SciTech Connect

    Motamed, Mohammad . E-mail: mohamad@nada.kth.se; Runborg, Olof . E-mail: olofr@nada.kth.se

    2006-11-20

    Creeping rays can give an important contribution to the solution of medium to high frequency scattering problems. They are generated at the shadow lines of the illuminated scatterer by grazing incident rays and propagate along geodesics on the scatterer surface, continuously shedding diffracted rays in their tangential direction. In this paper, we show how the ray propagation problem can be formulated as a partial differential equation (PDE) in a three-dimensional phase space. To solve the PDE we use a fast marching method. The PDE solution contains information about all possible creeping rays. This information includes the phase and amplitude of the field, which are extracted by a fast post-processing. Computationally, the cost of solving the PDE is less than tracing all rays individually by solving a system of ordinary differential equations. We consider an application to mono-static radar cross section problems where creeping rays from all illumination angles must be computed. The numerical results of the fast phase space method and a comparison with the results of ray tracing are presented.

  19. Recent advances in computer camera methods for machine vision

    NASA Astrophysics Data System (ADS)

    Olson, Gaylord G.; Walker, Jo N.

    1998-10-01

    During the past year, several new computer camera methods (hardware and software) have been developed which have applications in machine vision. These are described below, along with some test results. The improvements are generally in the direction of higher speed and greater parallelism. A PCI interface card has been designed which is adaptable to multiple CCD types, both color and monochrome. A newly designed A/D converter allows for a choice of 8 or 10-bit conversion resolution and a choice of two different analog inputs. Thus, by using four of these converters feeding the 32-bit PCI data bus, up to 8 camera heads can be used with a single PCI card, and four camera heads can be operated in parallel. The card has been designed so that any of 8 different CCD types can be used with it (6 monochrome and 2 color CCDs) ranging in resolution from 192 by 165 pixels up to 1134 by 972 pixels. In the area of software, a method has been developed to better utilize the decision-making capability of the computer along with the sub-array scan capabilities of many CCDs. Specifically, it is shown below how to achieve a dual scan mode camera system wherein one scan mode is a low density, high speed scan of a complete image area, and a higher density sub-array scan is used in those areas where changes have been observed. The name given to this technique is adaptive sub-array scanning.

  20. Consensus methods: review of original methods and their main alternatives used in public health

    PubMed Central

    Bourrée, Fanny; Michel, Philippe; Salmi, Louis Rachid

    2008-01-01

    Summary Background Consensus-based studies are increasingly used as decision-making methods, for they have lower production cost than other methods (observation, experimentation, modelling) and provide results more rapidly. The objective of this paper is to describe the principles and methods of the four main methods, Delphi, nominal group, consensus development conference and RAND/UCLA, their use as it appears in peer-reviewed publications and validation studies published in the healthcare literature. Methods A bibliographic search was performed in Pubmed/MEDLINE, Banque de Données Santé Publique (BDSP), The Cochrane Library, Pascal and Francis. Keywords, headings and qualifiers corresponding to a list of terms and expressions related to the consensus methods were searched in the thesauri, and used in the literature search. A search with the same terms and expressions was performed on Internet using the website Google Scholar. Results All methods, precisely described in the literature, are based on common basic principles such as definition of subject, selection of experts, and direct or remote interaction processes. They sometimes use quantitative assessment for ranking items. Numerous variants of these methods have been described. Few validation studies have been implemented. Not implementing these basic principles and failing to describe the methods used to reach the consensus were both frequent reasons contributing to raise suspicion regarding the validity of consensus methods. Conclusion When it is applied to a new domain with important consequences in terms of decision making, a consensus method should be first validated. PMID:19013039

  1. Parallel computation of multigroup reactivity coefficient using iterative method

    NASA Astrophysics Data System (ADS)

    Susmikanti, Mike; Dewayatna, Winter

    2013-09-01

    One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.

  2. Open Rotor Computational Aeroacoustic Analysis with an Immersed Boundary Method

    NASA Technical Reports Server (NTRS)

    Brehm, Christoph; Barad, Michael F.; Kiris, Cetin C.

    2016-01-01

    Reliable noise prediction capabilities are essential to enable novel fuel efficient open rotor designs that can meet the community and cabin noise standards. Toward this end, immersed boundary methods have reached a level of maturity where more and more complex flow problems can be tackled with this approach. This paper demonstrates that our higher-order immersed boundary method provides the ability for aeroacoustic analysis of wake-dominated flow fields generated by a contra-rotating open rotor. This is the first of a kind aeroacoustic simulation of an open rotor propulsion system employing an immersed boundary method. In addition to discussing the methodologies of how to apply the immersed boundary method to this moving boundary problem, we will provide a detailed validation of the aeroacoustic analysis approach employing the Launch Ascent and Vehicle Aerodynamics (LAVA) solver. Two free-stream Mach numbers with M=0.2 and M=0.78 are considered in this analysis that are based on the nominally take-off and cruise flow conditions. The simulation data is compared to available experimental data and other computational results employing more conventional CFD methods. Spectral analysis is used to determine the dominant wave propagation pattern in the acoustic near-field.

  3. Computational method for calligraphic style representation and classification

    NASA Astrophysics Data System (ADS)

    Zhang, Xiafen; Nagy, George

    2015-09-01

    A large collection of reproductions of calligraphy on paper was scanned into images to enable web access for both the academic community and the public. Calligraphic paper digitization technology is mature, but technology for segmentation, character coding, style classification, and identification of calligraphy are lacking. Therefore, computational tools for classification and quantification of calligraphic style are proposed and demonstrated on a statistically characterized corpus. A subset of 259 historical page images is segmented into 8719 individual character images. Calligraphic style is revealed and quantified by visual attributes (i.e., appearance features) of character images sampled from historical works. A style space is defined with the features of five main classical styles as basis vectors. Cross-validated error rates of 10% to 40% are reported on conventional and conservative sampling into training/test sets and on same-work voting with a range of voter participation. Beyond its immediate applicability to education and scholarship, this research lays the foundation for style-based calligraphic forgery detection and for discovery of latent calligraphic groups induced by mentor-student relationships.

  4. Public open space, physical activity, urban design and public health: Concepts, methods and research agenda.

    PubMed

    Koohsari, Mohammad Javad; Mavoa, Suzanne; Villanueva, Karen; Sugiyama, Takemi; Badland, Hannah; Kaczynski, Andrew T; Owen, Neville; Giles-Corti, Billie

    2015-05-01

    Public open spaces such as parks and green spaces are key built environment elements within neighbourhoods for encouraging a variety of physical activity behaviours. Over the past decade, there has been a burgeoning number of active living research studies examining the influence of public open space on physical activity. However, the evidence shows mixed associations between different aspects of public open space (e.g., proximity, size, quality) and physical activity. These inconsistencies hinder the development of specific evidence-based guidelines for urban designers and policy-makers for (re)designing public open space to encourage physical activity. This paper aims to move this research agenda forward, by identifying key conceptual and methodological issues that may contribute to inconsistencies in research examining relations between public open space and physical activity.

  5. Public open space, physical activity, urban design and public health: Concepts, methods and research agenda.

    PubMed

    Koohsari, Mohammad Javad; Mavoa, Suzanne; Villanueva, Karen; Sugiyama, Takemi; Badland, Hannah; Kaczynski, Andrew T; Owen, Neville; Giles-Corti, Billie

    2015-05-01

    Public open spaces such as parks and green spaces are key built environment elements within neighbourhoods for encouraging a variety of physical activity behaviours. Over the past decade, there has been a burgeoning number of active living research studies examining the influence of public open space on physical activity. However, the evidence shows mixed associations between different aspects of public open space (e.g., proximity, size, quality) and physical activity. These inconsistencies hinder the development of specific evidence-based guidelines for urban designers and policy-makers for (re)designing public open space to encourage physical activity. This paper aims to move this research agenda forward, by identifying key conceptual and methodological issues that may contribute to inconsistencies in research examining relations between public open space and physical activity. PMID:25779691

  6. Fundamental studies in hypersonic aeroelasticity using computational methods

    NASA Astrophysics Data System (ADS)

    Thuruthimattam, Biju James

    This dissertation describes the aeroelastic analysis of a generic hypersonic vehicle using methods in computational aeroelasticity. This objective is achieved by first considering the behavior of a representative configuration, namely a two degree-of-freedom typical cross-section, followed by that of a three-dimensional model of the generic vehicle, operating at very high Mach numbers. The typical cross-section of a hypersonic vehicle is represented by a double-wedge cross-section, having pitch and plunge degrees of freedom. The flutter boundaries of the typical cross-section are first generated using third-order piston theory, to serve as a basis for comparison with the refined calculations. Prior to the refined calculations, the time-step requirements for the reliable computation of the unsteady airloads using Euler and Navier-Stokes aerodynamics are identified. Computational aeroelastic response results are used to obtain frequency and damping characteristics, and compared with those from piston theory solutions for a variety of flight conditions. A parametric study of offsets, wedge angles; and static angle of attack is conducted. All the solutions are fairly close below the flutter boundary, and differences between the various models increase when the flutter boundary is approached. For this geometry, differences between viscous and inviscid aeroelastic behavior are not substantial. The effects of aerodynamic heating on the aeroelastic behavior of the typical cross-section are incorporated in an approximate manner, by considering the response of a heated wing. Results indicate that aerodynamic heating reduces aeroelastic stability. This analysis was extended to a generic hypersonic vehicle, restrained such that the rigid-body degrees of freedom are absent. The aeroelastic stability boundaries of the canted fin alone were calculated using third-order piston theory. The stability boundaries for the generic vehicle were calculated at different altitudes using

  7. Matching wind turbine rotors and loads: computational methods for designers

    SciTech Connect

    Seale, J.B.

    1983-04-01

    This report provides a comprehensive method for matching wind energy conversion system (WECS) rotors with the load characteristics of common electrical and mechanical applications. The user must supply: (1) turbine aerodynamic efficiency as a function of tipspeed ratio; (2) mechanical load torque as a function of rotation speed; (3) useful delivered power as a function of incoming mechanical power; (4) site average windspeed and, for maximum accuracy, distribution data. The description of the data includes governing limits consistent with the capacities of components. The report develops, a step-by-step method for converting the data into useful results: (1) from turbine efficiency and load torque characteristics, turbine power is predicted as a function of windspeed; (2) a decision is made how turbine power is to be governed (it may self-govern) to insure safety of all components; (3) mechanical conversion efficiency comes into play to predict how useful delivered power varies with windspeed; (4) wind statistics come into play to predict longterm energy output. Most systems can be approximated by a graph-and-calculator approach: Computer-generated families of coefficient curves provide data for algebraic scaling formulas. The method leads not only to energy predictions, but also to insight into the processes being modeled. Direct use of a computer program provides more sophisticated calculations where a highly unusual system is to be modeled, where accuracy is at a premium, or where error analysis is required. The analysis is fleshed out witn in-depth case studies for induction generator and inverter utility systems; battery chargers; resistance heaters; positive displacement pumps, including three different load-compensation strategies; and centrifugal pumps with unregulated electric power transmission from turbine to pump.

  8. Characterization of heterogeneous solids via wave methods in computational microelasticity

    NASA Astrophysics Data System (ADS)

    Gonella, Stefano; Steven Greene, M.; Kam Liu, Wing

    2011-05-01

    Real solids are inherently heterogeneous bodies. While the resolution at which they are observed may be disparate from one material to the next, heterogeneities heavily affect the dynamic behavior of all microstructured solids. This work introduces a wave propagation simulation methodology, based on Mindlin's microelastic continuum theory, as a tool to dynamically characterize microstructured solids in a way that naturally accounts for their inherent heterogeneities. Wave motion represents a natural benchmark problem to appreciate the full benefits of the microelastic theory, as in high-frequency dynamic regimes do microstructural effects unequivocally elucidate themselves. Through a finite-element implementation of the microelastic continuum and the interpretation of the resulting computational multiscale wavefields, one can estimate the effect of microstructures upon the wave propagation modes, phase and group velocities. By accounting for microstructures without explicitly modeling them, the method allows reducing the computational time with respect to classical methods based on a direct numerical simulation of the heterogeneities. The numerical method put forth in this research implements the microelastic theory through a finite-element scheme with enriched super-elements featuring microstructural degrees of freedom, and implementing constitutive laws obtained by homogenizing the microstructure characteristics over material meso-domains. It is possible to envision the use of this modeling methodology in support of diverse applications, ranging from structural health monitoring in composite materials to the simulation of biological and geomaterials. From an intellectual point of view, this work offers a mathematical explanation of some of the discrepancies often observed between one-scale models and physical experiments by targeting the area of wave propagation, one area where these discrepancies are most pronounced.

  9. A computational method to predict carbonylation sites in yeast proteins.

    PubMed

    Lv, H Q; Liu, J; Han, J Q; Zheng, J G; Liu, R L

    2016-01-01

    Several post-translational modifications (PTM) have been discussed in literature. Among a variety of oxidative stress-induced PTM, protein carbonylation is considered a biomarker of oxidative stress. Only certain proteins can be carbonylated because only four amino acid residues, namely lysine (K), arginine (R), threonine (T) and proline (P), are susceptible to carbonylation. The yeast proteome is an excellent model to explore oxidative stress, especially protein carbonylation. Current experimental approaches in identifying carbonylation sites are expensive, time-consuming and limited in their abilities to process proteins. Furthermore, there is no bioinformational method to predict carbonylation sites in yeast proteins. Therefore, we propose a computational method to predict yeast carbonylation sites. This method has total accuracies of 86.32, 85.89, 84.80, and 86.80% in predicting the carbonylation sites of K, R, T, and P, respectively. These results were confirmed by 10-fold cross-validation. The ability to identify carbonylation sites in different kinds of features was analyzed and the position-specific composition of the modification site-flanking residues was discussed. Additionally, a software tool has been developed to help with the calculations in this method. Datasets and the software are available at https://sourceforge.net/projects/hqlstudio/ files/CarSpred.Y/. PMID:27420944

  10. A Critical Review of Computer-Assisted Learning in Public Health via the Internet, 1999-2008

    ERIC Educational Resources Information Center

    Corda, Kirsten W.; Polacek, Georgia N. L. J.

    2009-01-01

    Computers and the internet have been utilized as viable avenues for public health education delivery. Yet the effectiveness, e.g., behavior change, from use of these tools has been limited. Previous reviews have focused on single health topics such as smoking cessation and weight loss. This review broadens the scope to consider computer-assisted…

  11. Developing a personal computer-based data visualization system using public domain software

    NASA Astrophysics Data System (ADS)

    Chen, Philip C.

    1999-03-01

    The current research will investigate the possibility of developing a computing-visualization system using a public domain software system built on a personal computer. Visualization Toolkit (VTK) is available on UNIX and PC platforms. VTK uses C++ to build an executable. It has abundant programming classes/objects that are contained in the system library. Users can also develop their own classes/objects in addition to those existing in the class library. Users can develop applications with any of the C++, Tcl/Tk, and JAVA environments. The present research will show how a data visualization system can be developed with VTK running on a personal computer. The topics will include: execution efficiency; visual object quality; availability of the user interface design; and exploring the feasibility of the VTK-based World Wide Web data visualization system. The present research will feature a case study showing how to use VTK to visualize meteorological data with techniques including, iso-surface, volume rendering, vector display, and composite analysis. The study also shows how the VTK outline, axes, and two-dimensional annotation text and title are enhancing the data presentation. The present research will also demonstrate how VTK works in an internet environment while accessing an executable with a JAVA application programing in a webpage.

  12. Graphical Methods: A Review of Current Methods and Computer Hardware and Software. Technical Report No. 27.

    ERIC Educational Resources Information Center

    Bessey, Barbara L.; And Others

    Graphical methods for displaying data, as well as available computer software and hardware, are reviewed. The authors have emphasized the types of graphs which are most relevant to the needs of the National Center for Education Statistics (NCES) and its readers. The following types of graphs are described: tabulations, stem-and-leaf displays,…

  13. Inter-Domain Redundancy Path Computation Methods Based on PCE

    NASA Astrophysics Data System (ADS)

    Hayashi, Rie; Oki, Eiji; Shiomoto, Kohei

    This paper evaluates three inter-domain redundancy path computation methods based on PCE (Path Computation Element). Some inter-domain paths carry traffic that must be assured of high quality and high reliability transfer such as telephony over IP and premium virtual private networks (VPNs). It is, therefore, important to set inter-domain redundancy paths, i. e. primary and secondary paths. The first scheme utilizes an existing protocol and the basic PCE implementation. It does not need any extension or modification. In the second scheme, PCEs make a virtual shortest path tree (VSPT) considering the candidates of primary paths that have corresponding secondary paths. The goal is to reduce blocking probability; corresponding secondary paths may be found more often after a primary path is decided; no protocol extension is necessary. In the third scheme, PCEs make a VSPT considering all candidates of primary and secondary paths. Blocking probability is further decreased since all possible candidates are located, and the sum of primary and secondary path cost is reduced by choosing the pair with minimum cost among all path pairs. Numerical evaluations show that the second and third schemes offer only a few percent reduction in blocking probability and path pair total cost, while the overheads imposed by protocol revision and increase of the amount of calculation and information to be exchanged are large. This suggests that the first scheme, the most basic and simple one, is the best choice.

  14. Novel computational methods to design protein-protein interactions

    NASA Astrophysics Data System (ADS)

    Zhou, Alice Qinhua; O'Hern, Corey; Regan, Lynne

    2014-03-01

    Despite the abundance of structural data, we still cannot accurately predict the structural and energetic changes resulting from mutations at protein interfaces. The inadequacy of current computational approaches to the analysis and design of protein-protein interactions has hampered the development of novel therapeutic and diagnostic agents. In this work, we apply a simple physical model that includes only a minimal set of geometrical constraints, excluded volume, and attractive van der Waals interactions to 1) rank the binding affinity of mutants of tetratricopeptide repeat proteins with their cognate peptides, 2) rank the energetics of binding of small designed proteins to the hydrophobic stem region of the influenza hemagglutinin protein, and 3) predict the stability of T4 lysozyme and staphylococcal nuclease mutants. This work will not only lead to a fundamental understanding of protein-protein interactions, but also to the development of efficient computational methods to rationally design protein interfaces with tunable specificity and affinity, and numerous applications in biomedicine. NSF DMR-1006537, PHY-1019147, Raymond and Beverly Sackler Institute for Biological, Physical and Engineering Sciences, and Howard Hughes Medical Institute.

  15. Publications

    Cancer.gov

    Information about NCI publications including PDQ cancer information for patients and health professionals, patient-education publications, fact sheets, dictionaries, NCI blogs and newsletters and major reports.

  16. Search systems and computer-implemented search methods

    DOEpatents

    Payne, Deborah A.; Burtner, Edwin R.; Bohn, Shawn J.; Hampton, Shawn D.; Gillen, David S.; Henry, Michael J.

    2015-12-22

    Search systems and computer-implemented search methods are described. In one aspect, a search system includes a communications interface configured to access a plurality of data items of a collection, wherein the data items include a plurality of image objects individually comprising image data utilized to generate an image of the respective data item. The search system may include processing circuitry coupled with the communications interface and configured to process the image data of the data items of the collection to identify a plurality of image content facets which are indicative of image content contained within the images and to associate the image objects with the image content facets and a display coupled with the processing circuitry and configured to depict the image objects associated with the image content facets.

  17. Methods and computer readable medium for improved radiotherapy dosimetry planning

    DOEpatents

    Wessol, Daniel E.; Frandsen, Michael W.; Wheeler, Floyd J.; Nigg, David W.

    2005-11-15

    Methods and computer readable media are disclosed for ultimately developing a dosimetry plan for a treatment volume irradiated during radiation therapy with a radiation source concentrated internally within a patient or incident from an external beam. The dosimetry plan is available in near "real-time" because of the novel geometric model construction of the treatment volume which in turn allows for rapid calculations to be performed for simulated movements of particles along particle tracks therethrough. The particles are exemplary representations of alpha, beta or gamma emissions emanating from an internal radiation source during various radiotherapies, such as brachytherapy or targeted radionuclide therapy, or they are exemplary representations of high-energy photons, electrons, protons or other ionizing particles incident on the treatment volume from an external source. In a preferred embodiment, a medical image of a treatment volume irradiated during radiotherapy having a plurality of pixels of information is obtained.

  18. Computer simulations of enzyme catalysis: methods, progress, and insights.

    PubMed

    Warshel, Arieh

    2003-01-01

    Understanding the action of enzymes on an atomistic level is one of the important aims of modern biophysics. This review describes the state of the art in addressing this challenge by simulating enzymatic reactions. It considers different modeling methods including the empirical valence bond (EVB) and more standard molecular orbital quantum mechanics/molecular mechanics (QM/MM) methods. The importance of proper configurational averaging of QM/MM energies is emphasized, pointing out that at present such averages are performed most effectively by the EVB method. It is clarified that all properly conducted simulation studies have identified electrostatic preorganization effects as the source of enzyme catalysis. It is argued that the ability to simulate enzymatic reactions also provides the chance to examine the importance of nonelectrostatic contributions and the validity of the corresponding proposals. In fact, simulation studies have indicated that prominent proposals such as desolvation, steric strain, near attack conformation, entropy traps, and coherent dynamics do not account for a major part of the catalytic power of enzymes. Finally, it is pointed out that although some of the issues are likely to remain controversial for some time, computer modeling approaches can provide a powerful tool for understanding enzyme catalysis.

  19. Computational method for transmission eigenvalues for a spherically stratified medium.

    PubMed

    Cheng, Xiaoliang; Yang, Jing

    2015-07-01

    We consider a computational method for the interior transmission eigenvalue problem that arises in acoustic and electromagnetic scattering. The transmission eigenvalues contain useful information about some physical properties, such as the index of refraction. Instead of the existence and estimation of the spectral property of the transmission eigenvalues, we focus on the numerical calculation, especially for spherically stratified media in R3. Due to the nonlinearity and the special structure of the interior transmission eigenvalue problem, there are not many numerical methods to date. First, we reduce the problem into a second-order ordinary differential equation. Then, we apply the Hermite finite element to the weak formulation of the equation. With proper rewriting of the matrix-vector form, we change the original nonlinear eigenvalue problem into a quadratic eigenvalue problem, which can be written as a linear system and solved by the eigs function in MATLAB. This numerical method is fast, effective, and can calculate as many transmission eigenvalues as needed at a time. PMID:26367151

  20. Emerging Computational Methods for the Rational Discovery of Allosteric Drugs

    PubMed Central

    2016-01-01

    Allosteric drug development holds promise for delivering medicines that are more selective and less toxic than those that target orthosteric sites. To date, the discovery of allosteric binding sites and lead compounds has been mostly serendipitous, achieved through high-throughput screening. Over the past decade, structural data has become more readily available for larger protein systems and more membrane protein classes (e.g., GPCRs and ion channels), which are common allosteric drug targets. In parallel, improved simulation methods now provide better atomistic understanding of the protein dynamics and cooperative motions that are critical to allosteric mechanisms. As a result of these advances, the field of predictive allosteric drug development is now on the cusp of a new era of rational structure-based computational methods. Here, we review algorithms that predict allosteric sites based on sequence data and molecular dynamics simulations, describe tools that assess the druggability of these pockets, and discuss how Markov state models and topology analyses provide insight into the relationship between protein dynamics and allosteric drug binding. In each section, we first provide an overview of the various method classes before describing relevant algorithms and software packages. PMID:27074285

  1. Helping Students Soar to Success on Computers: An Investigation of the Soar Study Method for Computer-Based Learning

    ERIC Educational Resources Information Center

    Jairam, Dharmananda; Kiewra, Kenneth A.

    2010-01-01

    This study used self-report and observation techniques to investigate how students study computer-based materials. In addition, it examined if a study method called SOAR can facilitate computer-based learning. SOAR is an acronym that stands for the method's 4 theoretically driven and empirically supported components: select (S), organize (O),…

  2. 29 CFR 779.266 - Methods of computing annual volume of sales or business.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 3 2014-07-01 2014-07-01 false Methods of computing annual volume of sales or business... Apply; Enterprise Coverage Computing the Annual Volume § 779.266 Methods of computing annual volume of sales or business. (a) No computations of annual gross dollar volume are necessary to determine...

  3. 29 CFR 779.266 - Methods of computing annual volume of sales or business.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 3 2012-07-01 2012-07-01 false Methods of computing annual volume of sales or business... Apply; Enterprise Coverage Computing the Annual Volume § 779.266 Methods of computing annual volume of sales or business. (a) No computations of annual gross dollar volume are necessary to determine...

  4. 29 CFR 779.266 - Methods of computing annual volume of sales or business.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 3 2013-07-01 2013-07-01 false Methods of computing annual volume of sales or business... Apply; Enterprise Coverage Computing the Annual Volume § 779.266 Methods of computing annual volume of sales or business. (a) No computations of annual gross dollar volume are necessary to determine...

  5. 29 CFR 779.266 - Methods of computing annual volume of sales or business.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 3 2010-07-01 2010-07-01 false Methods of computing annual volume of sales or business... Apply; Enterprise Coverage Computing the Annual Volume § 779.266 Methods of computing annual volume of... lieu of calendar quarters in computing the annual volume. Once either basis has been adopted it must...

  6. Special computer-aided computed tomography (CT) volume measurement and comparison method for pulmonary tuberculosis (TB)

    PubMed Central

    Liu, Jingming; Sun, Zhaogang; Xie, Ruming; Gao, Mengqiu; Li, Chuanyou

    2015-01-01

    The computed tomography (CT) manifestations in pulmonary tuberculosis (PTB) patients are complex and could not be quantitatively evaluated. We aimed to establish a new method to objectively measure the lung injury level in PTB by thoracic CT and make quantitative comparisons. In the retrospective study, a total of 360 adults were selected and divided into four groups according to their CT manifestations and medical history: Normal group, PTB group, PTB with diabetes mellitus (DM) group and Death caused by PTB group. Five additional patients who had continuous CT scans were chosen for preliminary longitudinal analysis. We established a new computer-aided CT volume measurement and comparison method for PTB patients (CACTV-PTB) which measured lung volume (LV) and thoracic volume (TV). RLT was calculated as the ratio of LV to TV and comparisons were performed among different groups. Standardized RLT (SRLT) was used in the longitudinal analysis among different patients. In the Normal group, LV and TV were positively correlated in linear regression (Ŷ=-0.5+0.46X, R2=0.796, P<0.01). RLT values were significantly different among four groups (Normal: 0.40±0.05, PTB: 0.37±0.08, PTB+DM: 0.34±0.06, Death: 0.23±0.04). The curves of SRLT value from different patients shared a same start point and could be compared directly. Utilizing the novel objective method CACTV-PTB makes it possible to compare the severity and dynamic change among different PTB patients. Our early experience also suggested that the lung injury is severer in the PTB+DM group than in the PTB group. PMID:26628995

  7. 47 CFR 80.771 - Method of computing coverage.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... of computing coverage. Compute the +17 dBu contour as follows: (a) Determine the effective antenna... each point of +17 dBu field strength for all radials and draw the contour by connecting the...

  8. 47 CFR 80.771 - Method of computing coverage.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... of computing coverage. Compute the +17 dBu contour as follows: (a) Determine the effective antenna... each point of +17 dBu field strength for all radials and draw the contour by connecting the...

  9. A computational method for dislocation-precipitate interaction

    NASA Astrophysics Data System (ADS)

    Takahashi, Akiyuki; Ghoniem, Nasr M.

    A new computational method for the elastic interaction between dislocations and precipitates is developed and applied to the solution of problems involving dislocation cutting and looping around precipitates. Based on the superposition principle, the solution to the dislocation-precipitate interaction problem is obtained as the sum of two solutions: (1) a dislocation problem with image stresses from interfaces between the dislocation and the precipitate, and (2) a correction solution for the elastic problem of a precipitate with an initial strain distribution. The current development is based on a combination of the parametric dislocation dynamics (PDD) and the boundary element method (BEM) with volume integrals.The method allows us to calculate the stress field both inside and outside precipitates of elastic moduli different from the matrix, and that may have initial coherency strain fields. The numerical results of the present method show good convergence and high accuracy when compared to a known analytical solution, and they are also in good agreement with molecular dynamics (MD) simulations. Sheared copper precipitates (2.5 nm in diameter) are shown to lose some of their resistance to dislocation motion after they are cut by leading dislocations in a pileup. Successive cutting of precipitates by the passage of a dislocation pileup reduces the resistance to about half its original value, when the number of dislocations in the pileup exceeds about 10. The transition from the shearable precipitate regime to the Orowan looping regime occurs for precipitate-to-matrix elastic modulus ratios above approximately 3-4, with some dependence on the precipitate size. The effects of precipitate size, spacing, and elastic modulus mismatch with the host matrix on the critical shear stress (CSS) to dislocation motion are presented.

  10. Public Experiments and Their Analysis with the Replication Method

    ERIC Educational Resources Information Center

    Heering, Peter

    2007-01-01

    One of those who failed to establish himself as a natural philosopher in 18th century Paris was the future revolutionary Jean Paul Marat. He did not only publish several monographs on heat, optics and electricity in which he attempted to characterise his work as being purely empirical but he also tried to establish himself as a public lecturer.…

  11. Pedagogical Methods of Teaching "Women in Public Speaking."

    ERIC Educational Resources Information Center

    Pederson, Lucille M.

    A course on women in public speaking, developed at the University of Cincinnati, focuses on the rhetoric of selected women who have been involved in various movements and causes in the United States in the twentieth century. Women studied include educator Mary McLeod Bethune, Congresswoman Jeannette Rankin, suffragette Carrie Chapman Catt, Helen…

  12. Computational Methods for Analyzing Fluid Flow Dynamics from Digital Imagery

    SciTech Connect

    Luttman, A.

    2012-03-30

    The main goal (long term) of this work is to perform computational dynamics analysis and quantify uncertainty from vector fields computed directly from measured data. Global analysis based on observed spatiotemporal evolution is performed by objective function based on expected physics and informed scientific priors, variational optimization to compute vector fields from measured data, and transport analysis proceeding with observations and priors. A mathematical formulation for computing flow fields is set up for computing the minimizer for the problem. An application to oceanic flow based on sea surface temperature is presented.

  13. Non-unitary probabilistic quantum computing circuit and method

    NASA Technical Reports Server (NTRS)

    Williams, Colin P. (Inventor); Gingrich, Robert M. (Inventor)

    2009-01-01

    A quantum circuit performing quantum computation in a quantum computer. A chosen transformation of an initial n-qubit state is probabilistically obtained. The circuit comprises a unitary quantum operator obtained from a non-unitary quantum operator, operating on an n-qubit state and an ancilla state. When operation on the ancilla state provides a success condition, computation is stopped. When operation on the ancilla state provides a failure condition, computation is performed again on the ancilla state and the n-qubit state obtained in the previous computation, until a success condition is obtained.

  14. Semi-coarsening multigrid methods for parallel computing

    SciTech Connect

    Jones, J.E.

    1996-12-31

    Standard multigrid methods are not well suited for problems with anisotropic coefficients which can occur, for example, on grids that are stretched to resolve a boundary layer. There are several different modifications of the standard multigrid algorithm that yield efficient methods for anisotropic problems. In the paper, we investigate the parallel performance of these multigrid algorithms. Multigrid algorithms which work well for anisotropic problems are based on line relaxation and/or semi-coarsening. In semi-coarsening multigrid algorithms a grid is coarsened in only one of the coordinate directions unlike standard or full-coarsening multigrid algorithms where a grid is coarsened in each of the coordinate directions. When both semi-coarsening and line relaxation are used, the resulting multigrid algorithm is robust and automatic in that it requires no knowledge of the nature of the anisotropy. This is the basic multigrid algorithm whose parallel performance we investigate in the paper. The algorithm is currently being implemented on an IBM SP2 and its performance is being analyzed. In addition to looking at the parallel performance of the basic semi-coarsening algorithm, we present algorithmic modifications with potentially better parallel efficiency. One modification reduces the amount of computational work done in relaxation at the expense of using multiple coarse grids. This modification is also being implemented with the aim of comparing its performance to that of the basic semi-coarsening algorithm.

  15. A Computational Method for Materials Design of New Interfaces

    NASA Astrophysics Data System (ADS)

    Kaminski, Jakub; Ratsch, Christian; Weber, Justin; Haverty, Michael; Shankar, Sadasivan

    2015-03-01

    We propose a novel computational approach to explore the broad configurational space of possible interfaces formed from known crystal structures to find new heterostructure materials with potentially interesting properties. In a series of steps with increasing complexity and accuracy, the vast number of possible combinations is narrowed down to a limited set of the most promising and chemically compatible candidates. This systematic screening encompasses (i) establishing the geometrical compatibility along multiple crystallographic orientations of two materials, (ii) simple functions eliminating configurations with unfavorable interatomic steric conflicts, (iii) application of empirical and semi-empirical potentials estimating approximate energetics and structures, (iv) use of DFT based quantum-chemical methods to ascertain the final optimal geometry and stability of the interface in question. For efficient high-throughput screening we have developed a new method to calculate surface energies, which allows for fast and systematic treatment of materials terminated with non-polar surfaces. We show that our approach leads to a maximum error around 3% from the exact reference. The representative results from our search protocol will be presented for selected materials including semiconductors and oxides.

  16. A determination of antioxidant efficiencies using ESR and computational methods

    NASA Astrophysics Data System (ADS)

    Rhodes, Christopher J.; Tran, Thuy T.; Morris, Harry

    2004-05-01

    Using Transition-State Theory, experimental rate constants, determined over a range of temperatures, for reactions of Vitamin E type antioxidants are analysed in terms of their enthalpies and entropies of activation. It is further shown that computational methods may be employed to calculate enthalpies and entropies, and hence Gibbs free energies, for the overall reactions. Within the linear free energy relationship (LFER) assumption, that the Gibbs free energy of activation is proportional to the overall Gibbs free energy change for the reaction, it is possible to rationalise, and even to predict, the relative contributions of enthalpy and entropy for reactions of interest, involving potential antioxidants. A method is devised, involving a competitive reaction between rad CH 3 radicals and both the spin-trap PBN and the antioxidant, which enables the relatively rapid determination of a relative ordering of activities for a series of potential antioxidant compounds, and also of their rate constants for scavenging rad CH 3 radicals (relative to the rate constant for addition of rad CH 3 to PBN).

  17. Interactive computer methods for generating mineral-resource maps

    USGS Publications Warehouse

    Calkins, James Alfred; Crosby, A.S.; Huffman, T.E.; Clark, A.L.; Mason, G.T.; Bascle, R.J.

    1980-01-01

    Inasmuch as maps are a basic tool of geologists, the U.S. Geological Survey's CRIB (Computerized Resources Information Bank) was constructed so that the data it contains can be used to generate mineral-resource maps. However, by the standard methods used-batch processing and off-line plotting-the production of a finished map commonly takes 2-3 weeks. To produce computer-generated maps more rapidly, cheaply, and easily, and also to provide an effective demonstration tool, we have devised two related methods for plotting maps as alternatives to conventional batch methods. These methods are: 1. Quick-Plot, an interactive program whose output appears on a CRT (cathode-ray-tube) device, and 2. The Interactive CAM (Cartographic Automatic Mapping system), which combines batch and interactive runs. The output of the Interactive CAM system is final compilation (not camera-ready) paper copy. Both methods are designed to use data from the CRIB file in conjunction with a map-plotting program. Quick-Plot retrieves a user-selected subset of data from the CRIB file, immediately produces an image of the desired area on a CRT device, and plots data points according to a limited set of user-selected symbols. This method is useful for immediate evaluation of the map and for demonstrating how trial maps can be made quickly. The Interactive CAM system links the output of an interactive CRIB retrieval to a modified version of the CAM program, which runs in the batch mode and stores plotting instructions on a disk, rather than on a tape. The disk can be accessed by a CRT, and, thus, the user can view and evaluate the map output on a CRT immediately after a batch run, without waiting 1-3 days for an off-line plot. The user can, therefore, do most of the layout and design work in a relatively short time by use of the CRT, before generating a plot tape and having the map plotted on an off-line plotter.

  18. A stoichiometric calibration method for dual energy computed tomography.

    PubMed

    Bourque, Alexandra E; Carrier, Jean-François; Bouchard, Hugo

    2014-04-21

    The accuracy of radiotherapy dose calculation relies crucially on patient composition data. The computed tomography (CT) calibration methods based on the stoichiometric calibration of Schneider et al (1996 Phys. Med. Biol. 41 111-24) are the most reliable to determine electron density (ED) with commercial single energy CT scanners. Along with the recent developments in dual energy CT (DECT) commercial scanners, several methods were published to determine ED and the effective atomic number (EAN) for polyenergetic beams without the need for CT calibration curves. This paper intends to show that with a rigorous definition of the EAN, the stoichiometric calibration method can be successfully adapted to DECT with significant accuracy improvements with respect to the literature without the need for spectrum measurements or empirical beam hardening corrections. Using a theoretical framework of ICRP human tissue compositions and the XCOM photon cross sections database, the revised stoichiometric calibration method yields Hounsfield unit (HU) predictions within less than ±1.3 HU of the theoretical HU calculated from XCOM data averaged over the spectra used (e.g., 80 kVp, 100 kVp, 140 kVp and 140/Sn kVp). A fit of mean excitation energy (I-value) data as a function of EAN is provided in order to determine the ion stopping power of human tissues from ED-EAN measurements. Analysis of the calibration phantom measurements with the Siemens SOMATOM Definition Flash dual source CT scanner shows that the present formalism yields mean absolute errors of (0.3 ± 0.4)% and (1.6 ± 2.0)% on ED and EAN, respectively. For ion therapy, the mean absolute errors for calibrated I-values and proton stopping powers (216 MeV) are (4.1 ± 2.7)% and (0.5 ± 0.4)%, respectively. In all clinical situations studied, the uncertainties in ion ranges in water for therapeutic energies are found to be less than 1.3 mm, 0.7 mm and 0.5 mm for protons, helium and carbon ions respectively, using a

  19. 78 FR 22540 - Notice of Public Meeting/Webinar: EPA Method Development Update on Drinking Water Testing Methods...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-16

    ... AGENCY Notice of Public Meeting/Webinar: EPA Method Development Update on Drinking Water Testing Methods...: Notice of public meeting. SUMMARY: The U.S. Environmental Protection Agency (EPA) Office of Ground Water and Drinking Water, Standards and Risk Management Division's Technical Support Center (TSC)...

  20. 34 CFR 682.304 - Methods for computing interest benefits and special allowance.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 34 Education 4 2011-07-01 2011-07-01 false Methods for computing interest benefits and special... LOAN (FFEL) PROGRAM Federal Payments of Interest and Special Allowance § 682.304 Methods for computing... shall use the average daily balance method to determine the balance on which the Secretary computes...

  1. 26 CFR 1.167(b)-0 - Methods of computing depreciation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 2 2011-04-01 2011-04-01 false Methods of computing depreciation. 1.167(b)-0....167(b)-0 Methods of computing depreciation. (a) In general. Any reasonable and consistently applied method of computing depreciation may be used or continued in use under section 167. Regardless of...

  2. 26 CFR 1.669(a)-3 - Tax computed by the exact throwback method.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 8 2010-04-01 2010-04-01 false Tax computed by the exact throwback method. 1... Taxable Years Beginning Before January 1, 1969 § 1.669(a)-3 Tax computed by the exact throwback method. (a... compute the tax, on amounts deemed distributed under section 666, by the exact throwback method...

  3. 26 CFR 1.167(b)-0 - Methods of computing depreciation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 2 2010-04-01 2010-04-01 false Methods of computing depreciation. 1.167(b)-0....167(b)-0 Methods of computing depreciation. (a) In general. Any reasonable and consistently applied method of computing depreciation may be used or continued in use under section 167. Regardless of...

  4. 34 CFR 682.304 - Methods for computing interest benefits and special allowance.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 34 Education 3 2010-07-01 2010-07-01 false Methods for computing interest benefits and special...) PROGRAM Federal Payments of Interest and Special Allowance § 682.304 Methods for computing interest... shall use the average daily balance method to determine the balance on which the Secretary computes...

  5. Methodical Approaches to Teaching of Computer Modeling in Computer Science Course

    ERIC Educational Resources Information Center

    Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina

    2015-01-01

    The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…

  6. Mobile Detection of Fugitive Emissions using Computationally Optimized Geochemical Methods

    NASA Astrophysics Data System (ADS)

    Marshall, A. D.; Risk, D. A.; Lavoie, M.; Brooks, B. G.; Macintyre, C. M.; Baillie, J.; Laybolt, W. D.; Williams, J. P.; Goeckede, M.; Phillips, C. L.

    2015-12-01

    The grand challenge of surface leak monitoring is to detect and attribute even small leaks across large energy development sites, which often span hundreds of square kilometres. Ratio-based geochemical methods show great potential for near-surface leak detection and attribution in vehicle-based mobile surveys. Ratios are useful especially when applied to concentration anomalies that exceed the Ambient Background (ABG), because they preserve the ratio of emission, and allow for more definitive attribution. Predicting ABG is, however, difficult because its variance originates from many processes including atmospheric patterns, local vegetation, other natural factors, and human activity. Here we present a method of vehicle-based atmospheric leak detection. We have developed a signal conditioning process for accommodating a variable ABG throughout a survey dataset. ABG is the lowest value of a species within a time interval of variable length, and anomalies are detected when ratios of excess concentration (above ABG) exceed defined ratio limits based on expected sources. We computationally iterate through many configurations of ABG time interval and other parameters to find an optimized scenario. In surveys of CH4, δ13CH4, CO2 and H2S at a large energy development with active infrastructure, we compared our technique to a concentration threshold detection technique (2 ppm CH4), and a variation of our process where ABG is assumed to be the lowest dataset value. Across ~1500 km of survey data, our process detected 8 times more leak anomalies than did the threshold technique. The lowest value background technique detected a similar number of leak anomalies as the optimized ABG, but was oversensitive to combustion (CO2-rich) emissions. With the optimized scenarios we observed some persistent leak anomalies in as many as 50% of survey passes, throughout different seasons and wind conditions. Leak persistence showed no significant relationship to leak size. CO2-rich leaks

  7. GRACE: Public Health Recovery Methods following an Environmental Disaster

    PubMed Central

    Svendsen, ER; Whittle, N; Wright, L; McKeown, RE; Sprayberry, K; Heim, M; Caldwell, R; Gibson, JJ; Vena, J.

    2014-01-01

    Different approaches are necessary when Community Based Participatory Research (CBPR) of environmental illness is initiated after an environmental disaster within a community. Often such events are viewed as golden scientific opportunities to do epidemiological studies. However, we believe that in such circumstances, community engagement and empowerment needs to be integrated into the public health service efforts in order for both those and any science to be successful, with special care being taken to address the immediate health needs of the community first rather than the pressing needs to answer important scientific questions. We will demonstrate how we have simultaneously provided valuable public health service, embedded generalizable scientific knowledge, and built a successful foundation for supplemental CBPR through our on-going recovery work after the chlorine gas disaster in Graniteville, South Carolina. PMID:20439226

  8. Pesticides and public health: integrated methods of mosquito management.

    PubMed Central

    Rose, R. I.

    2001-01-01

    Pesticides have a role in public health as part of sustainable integrated mosquito management. Other components of such management include surveillance, source reduction or prevention, biological control, repellents, traps, and pesticide-resistance management. We assess the future use of mosquito control pesticides in view of niche markets, incentives for new product development, Environmental Protection Agency registration, the Food Quality Protection Act, and improved pest management strategies for mosquito control. PMID:11266290

  9. Lanczos eigensolution method for high-performance computers

    NASA Technical Reports Server (NTRS)

    Bostic, Susan W.

    1991-01-01

    The theory, computational analysis, and applications are presented of a Lanczos algorithm on high performance computers. The computationally intensive steps of the algorithm are identified as: the matrix factorization, the forward/backward equation solution, and the matrix vector multiples. These computational steps are optimized to exploit the vector and parallel capabilities of high performance computers. The savings in computational time from applying optimization techniques such as: variable band and sparse data storage and access, loop unrolling, use of local memory, and compiler directives are presented. Two large scale structural analysis applications are described: the buckling of a composite blade stiffened panel with a cutout, and the vibration analysis of a high speed civil transport. The sequential computational time for the panel problem executed on a CONVEX computer of 181.6 seconds was decreased to 14.1 seconds with the optimized vector algorithm. The best computational time of 23 seconds for the transport problem with 17,000 degs of freedom was on the the Cray-YMP using an average of 3.63 processors.

  10. A Computational Method for Materials Design of Interfaces

    NASA Astrophysics Data System (ADS)

    Kaminski, Jakub; Ratsch, Christian; Shankar, Sadasivan

    2014-03-01

    In the present work we propose a novel computational approach to explore the broad configurational space of possible interfaces formed from known crystal structures to find new hetrostructure materials with potentially interesting properties. In the series of subsequent steps with increasing complexity and accuracy, the vast number of possible combinations is narrowed down to a limited set of the most promising and chemically compatible candidates. This systematic screening encompasses (i) establishing the geometrical compatibility along multiple crystallographic orientations of two (or more) materials, (ii) simple functions eliminating configurations with unfavorable interatomic steric conflicts, (iii) application of empirical and semi-empirical potentials estimating approximate energetics and structures, (iv) use of DFT based quantum-chemical methods to ascertain the final optimal geometry and stability of the interface in question. We also demonstrate the flexibility and efficiency of our approach depending on the size of the investigated structures and size of the search space. The representative results from our search protocol will be presented for selected materials including semiconductors, transition metal systems, and oxides.

  11. Computational Methods for RNA Structure Validation and Improvement.

    PubMed

    Jain, Swati; Richardson, David C; Richardson, Jane S

    2015-01-01

    With increasing recognition of the roles RNA molecules and RNA/protein complexes play in an unexpected variety of biological processes, understanding of RNA structure-function relationships is of high current importance. To make clean biological interpretations from three-dimensional structures, it is imperative to have high-quality, accurate RNA crystal structures available, and the community has thoroughly embraced that goal. However, due to the many degrees of freedom inherent in RNA structure (especially for the backbone), it is a significant challenge to succeed in building accurate experimental models for RNA structures. This chapter describes the tools and techniques our research group and our collaborators have developed over the years to help RNA structural biologists both evaluate and achieve better accuracy. Expert analysis of large, high-resolution, quality-conscious RNA datasets provides the fundamental information that enables automated methods for robust and efficient error diagnosis in validating RNA structures at all resolutions. The even more crucial goal of correcting the diagnosed outliers has steadily developed toward highly effective, computationally based techniques. Automation enables solving complex issues in large RNA structures, but cannot circumvent the need for thoughtful examination of local details, and so we also provide some guidance for interpreting and acting on the results of current structure validation for RNA. PMID:26068742

  12. Recent advances in computational structural reliability analysis methods

    NASA Technical Reports Server (NTRS)

    Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

    1993-01-01

    The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

  13. Improved computational methods for simulating inertial confinement fusion

    NASA Astrophysics Data System (ADS)

    Fatenejad, Milad

    This dissertation describes the development of two multidimensional Lagrangian code for simulating inertial confinement fusion (ICF) on structured meshes. The first is DRACO, a production code primarily developed by the Laboratory for Laser Energetics. Several significant new capabilities were implemented including the ability to model radiative transfer using Implicit Monte Carlo [Fleck et al., JCP 8, 313 (1971)]. DRACO was also extended to operate in 3D Cartesian geometry on hexahedral meshes. Originally the code was only used in 2D cylindrical geometry. This included implementing thermal conduction and a flux-limited multigroup diffusion model for radiative transfer. Diffusion equations are solved by extending the 2D Kershaw method [Kershaw, JCP 39, 375 (1981)] to three dimensions. The second radiation-hydrodynamics code developed as part of this thesis is Cooper, a new 3D code which operates on structured hexahedral meshes. Cooper supports the compatible hydrodynamics framework [Caramana et al., JCP 146, 227 (1998)] to obtain round-off error levels of global energy conservation. This level of energy conservation is maintained even when two temperature thermal conduction, ion/electron equilibration, and multigroup diffusion based radiative transfer is active. Cooper is parallelized using domain decomposition, and photon energy group decomposition. The Mesh Oriented datABase (MOAB) computational library is used to exchange information between processes when domain decomposition is used. Cooper's performance is analyzed through direct comparisons with DRACO. Cooper also contains a method for preserving spherical symmetry during target implosions [Caramana et al., JCP 157, 89 (1999)]. Several deceleration phase implosion simulations were used to compare instability growth using traditional hydrodynamics and compatible hydrodynamics with/without symmetry modification. These simulations demonstrate increased symmetry preservation errors when traditional hydrodynamics

  14. Publications.

    ERIC Educational Resources Information Center

    Aviation/Space, 1980

    1980-01-01

    Presents a variety of publications available from government and nongovernment sources. The government publications are from the Federal Aviation Administration (FAA) and the National Aeronautics and Space Administration (NASA) and are designed for educators, students, and the public. (Author/SA)

  15. Parallel Computing Environments and Methods for Power Distribution System Simulation

    SciTech Connect

    Lu, Ning; Taylor, Zachary T.; Chassin, David P.; Guttromson, Ross T.; Studham, Scott S.

    2005-11-10

    The development of cost-effective high-performance parallel computing on multi-processor super computers makes it attractive to port excessively time consuming simulation software from personal computers (PC) to super computes. The power distribution system simulator (PDSS) takes a bottom-up approach and simulates load at appliance level, where detailed thermal models for appliances are used. This approach works well for a small power distribution system consisting of a few thousand appliances. When the number of appliances increases, the simulation uses up the PC memory and its run time increases to a point where the approach is no longer feasible to model a practical large power distribution system. This paper presents an effort made to port a PC-based power distribution system simulator (PDSS) to a 128-processor shared-memory super computer. The paper offers an overview of the parallel computing environment and a description of the modification made to the PDSS model. The performances of the PDSS running on a standalone PC and on the super computer are compared. Future research direction of utilizing parallel computing in the power distribution system simulation is also addressed.

  16. Students' Attitudes towards Control Methods in Computer-Assisted Instruction.

    ERIC Educational Resources Information Center

    Hintze, Hanne; And Others

    1988-01-01

    Describes study designed to investigate dental students' attitudes toward computer-assisted teaching as applied in programs for oral radiology in Denmark. Programs using personal computers and slide projectors with varying degrees of learner and teacher control are described, and differences in attitudes between male and female students are…

  17. Profiling animal toxicants by automatically mining public bioassay data: a big data approach for computational toxicology.

    PubMed

    Zhang, Jun; Hsieh, Jui-Hua; Zhu, Hao

    2014-01-01

    In vitro bioassays have been developed and are currently being evaluated as potential alternatives to traditional animal toxicity models. Already, the progress of high throughput screening techniques has resulted in an enormous amount of publicly available bioassay data having been generated for a large collection of compounds. When a compound is tested using a collection of various bioassays, all the testing results can be considered as providing a unique bio-profile for this compound, which records the responses induced when the compound interacts with different cellular systems or biological targets. Profiling compounds of environmental or pharmaceutical interest using useful toxicity bioassay data is a promising method to study complex animal toxicity. In this study, we developed an automatic virtual profiling tool to evaluate potential animal toxicants. First, we automatically acquired all PubChem bioassay data for a set of 4,841 compounds with publicly available rat acute toxicity results. Next, we developed a scoring system to evaluate the relevance between these extracted bioassays and animal acute toxicity. Finally, the top ranked bioassays were selected to profile the compounds of interest. The resulting response profiles proved to be useful to prioritize untested compounds for their animal toxicity potentials and form a potential in vitro toxicity testing panel. The protocol developed in this study could be combined with structure-activity approaches and used to explore additional publicly available bioassay datasets for modeling a broader range of animal toxicities.

  18. 29 CFR 779.342 - Methods of computing annual volume of sales.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 3 2013-07-01 2013-07-01 false Methods of computing annual volume of sales. 779.342... Establishments Computing Annual Dollar Volume and Combination of Exemptions § 779.342 Methods of computing annual volume of sales. The tests as to whether an establishment qualifies for exemption under section...

  19. 29 CFR 779.342 - Methods of computing annual volume of sales.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 3 2011-07-01 2011-07-01 false Methods of computing annual volume of sales. 779.342... Establishments Computing Annual Dollar Volume and Combination of Exemptions § 779.342 Methods of computing annual volume of sales. The tests as to whether an establishment qualifies for exemption under section...

  20. 29 CFR 779.342 - Methods of computing annual volume of sales.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 3 2012-07-01 2012-07-01 false Methods of computing annual volume of sales. 779.342... Establishments Computing Annual Dollar Volume and Combination of Exemptions § 779.342 Methods of computing annual volume of sales. The tests as to whether an establishment qualifies for exemption under section...

  1. 29 CFR 779.342 - Methods of computing annual volume of sales.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 3 2014-07-01 2014-07-01 false Methods of computing annual volume of sales. 779.342... Establishments Computing Annual Dollar Volume and Combination of Exemptions § 779.342 Methods of computing annual volume of sales. The tests as to whether an establishment qualifies for exemption under section...

  2. Small Scale Distance Education; "The Personal (Computer) Touch"; Tutorial Methods for TMA's Using a Computer.

    ERIC Educational Resources Information Center

    Fritsch, Helmut; And Others

    1989-01-01

    The authors present reports of current research on distance education at the FernUniversitat in West Germany. Fritsch discusses adapting distance education techniques for small classes. Kuffner describes procedures for providing feedback to students using personalized computer-generated letters. Klute discusses using a computer with tutorial…

  3. Asronomical refraction: Computational methods for all zenith angles

    NASA Technical Reports Server (NTRS)

    Auer, L. H.; Standish, E. M.

    2000-01-01

    It is shown that the problem of computing astronomical refraction for any value of the zenith angle may be reduced to a simple, nonsingular, numerical quadrature when the proper choice is made for the independent variable of integration.

  4. 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.

  5. Methods of defining ontologies, word disambiguation methods, computer systems, and articles of manufacture

    DOEpatents

    Sanfilippo, Antonio P [Richland, WA; Tratz, Stephen C [Richland, WA; Gregory, Michelle L [Richland, WA; Chappell, Alan R [Seattle, WA; Whitney, Paul D [Richland, WA; Posse, Christian [Seattle, WA; Baddeley, Robert L [Richland, WA; Hohimer, Ryan E [West Richland, WA

    2011-10-11

    Methods of defining ontologies, word disambiguation methods, computer systems, and articles of manufacture are described according to some aspects. In one aspect, a word disambiguation method includes accessing textual content to be disambiguated, wherein the textual content comprises a plurality of words individually comprising a plurality of word senses, for an individual word of the textual content, identifying one of the word senses of the word as indicative of the meaning of the word in the textual content, for the individual word, selecting one of a plurality of event classes of a lexical database ontology using the identified word sense of the individual word, and for the individual word, associating the selected one of the event classes with the textual content to provide disambiguation of a meaning of the individual word in the textual content.

  6. Do Examinees Understand Score Reports for Alternate Methods of Scoring Computer Based Tests?

    ERIC Educational Resources Information Center

    Whittaker, Tiffany A.; Williams, Natasha J.; Dodd, Barbara G.

    2011-01-01

    This study assessed the interpretability of scaled scores based on either number correct (NC) scoring for a paper-and-pencil test or one of two methods of scoring computer-based tests: an item pattern (IP) scoring method and a method based on equated NC scoring. The equated NC scoring method for computer-based tests was proposed as an alternative…

  7. An alternative computational method for finding the minimum-premium insurance portfolio

    NASA Astrophysics Data System (ADS)

    Katsikis, Vasilios N.

    2016-06-01

    In this article, we design a computational method, which differs from the standard linear programming techniques, for computing the minimum-premium insurance portfolio. The corresponding algorithm as well as a Matlab implementation are provided.

  8. The Repeated Replacement Method: A Pure Lagrangian Meshfree Method for Computational Fluid Dynamics

    PubMed Central

    Walker, Wade A.

    2012-01-01

    In this paper we describe the repeated replacement method (RRM), a new meshfree method for computational fluid dynamics (CFD). RRM simulates fluid flow by modeling compressible fluids’ tendency to evolve towards a state of constant density, velocity, and pressure. To evolve a fluid flow simulation forward in time, RRM repeatedly “chops out” fluid from active areas and replaces it with new “flattened” fluid cells with the same mass, momentum, and energy. We call the new cells “flattened” because we give them constant density, velocity, and pressure, even though the chopped-out fluid may have had gradients in these primitive variables. RRM adaptively chooses the sizes and locations of the areas it chops out and replaces. It creates more and smaller new cells in areas of high gradient, and fewer and larger new cells in areas of lower gradient. This naturally leads to an adaptive level of accuracy, where more computational effort is spent on active areas of the fluid, and less effort is spent on inactive areas. We show that for common test problems, RRM produces results similar to other high-resolution CFD methods, while using a very different mathematical framework. RRM does not use Riemann solvers, flux or slope limiters, a mesh, or a stencil, and it operates in a purely Lagrangian mode. RRM also does not evaluate numerical derivatives, does not integrate equations of motion, and does not solve systems of equations. PMID:22866175

  9. The repeated replacement method: a pure Lagrangian meshfree method for computational fluid dynamics.

    PubMed

    Walker, Wade A

    2012-01-01

    In this paper we describe the repeated replacement method (RRM), a new meshfree method for computational fluid dynamics (CFD). RRM simulates fluid flow by modeling compressible fluids' tendency to evolve towards a state of constant density, velocity, and pressure. To evolve a fluid flow simulation forward in time, RRM repeatedly "chops out" fluid from active areas and replaces it with new "flattened" fluid cells with the same mass, momentum, and energy. We call the new cells "flattened" because we give them constant density, velocity, and pressure, even though the chopped-out fluid may have had gradients in these primitive variables. RRM adaptively chooses the sizes and locations of the areas it chops out and replaces. It creates more and smaller new cells in areas of high gradient, and fewer and larger new cells in areas of lower gradient. This naturally leads to an adaptive level of accuracy, where more computational effort is spent on active areas of the fluid, and less effort is spent on inactive areas. We show that for common test problems, RRM produces results similar to other high-resolution CFD methods, while using a very different mathematical framework. RRM does not use Riemann solvers, flux or slope limiters, a mesh, or a stencil, and it operates in a purely Lagrangian mode. RRM also does not evaluate numerical derivatives, does not integrate equations of motion, and does not solve systems of equations. PMID:22866175

  10. A public image database to support research in computer aided diagnosis.

    PubMed

    Reeves, A P; Biancardi, A M; Yankelevitz, D; Fotin, S; Keller, B M; Jirapatnakul, A; Lee, J

    2009-01-01

    The Public Lung Database to address drug response (PLD) has been developed to support research in computer aided diagnosis (CAD). Originally established for applications involving the characterization of pulmonary nodules, the PLD has been augmented to provide initial datasets for CAD research of other diseases. In general, the best performance for a CAD system is achieved when it is trained with a large amount of well documented data. Such training databases are very expensive to create and their lack of general availability limits the targets that can be considered for CAD applications and hampers development of the CAD field. The approach taken with the PLD has been to make available small datasets together with both manual and automated documentation. Furthermore, datasets with special properties are provided either to span the range of task complexity or to provide small change repeat images for direct calibration and evaluation of CAD systems. This resource offers a starting point for other research groups wishing to pursue CAD research in new directions. It also provides an on-line reference for better defining the issues relating to specific CAD tasks.

  11. Benchmarking Gas Path Diagnostic Methods: A Public Approach

    NASA Technical Reports Server (NTRS)

    Simon, Donald L.; Bird, Jeff; Davison, Craig; Volponi, Al; Iverson, R. Eugene

    2008-01-01

    Recent technology reviews have identified the need for objective assessments of engine health management (EHM) technology. The need is two-fold: technology developers require relevant data and problems to design and validate new algorithms and techniques while engine system integrators and operators need practical tools to direct development and then evaluate the effectiveness of proposed solutions. This paper presents a publicly available gas path diagnostic benchmark problem that has been developed by the Propulsion and Power Systems Panel of The Technical Cooperation Program (TTCP) to help address these needs. The problem is coded in MATLAB (The MathWorks, Inc.) and coupled with a non-linear turbofan engine simulation to produce "snap-shot" measurements, with relevant noise levels, as if collected from a fleet of engines over their lifetime of use. Each engine within the fleet will experience unique operating and deterioration profiles, and may encounter randomly occurring relevant gas path faults including sensor, actuator and component faults. The challenge to the EHM community is to develop gas path diagnostic algorithms to reliably perform fault detection and isolation. An example solution to the benchmark problem is provided along with associated evaluation metrics. A plan is presented to disseminate this benchmark problem to the engine health management technical community and invite technology solutions.

  12. One-to-One Computing in Public Schools: Lessons from "Laptops for All" Programs

    ERIC Educational Resources Information Center

    Abell Foundation, 2008

    2008-01-01

    The basic tenet of one-to-one computing is that the student and teacher have Internet-connected, wireless computing devices in the classroom and optimally at home as well. Also known as "ubiquitous computing," this strategy assumes that every teacher and student has her own computing device and obviates the need for moving classes to computer…

  13. Library Orientation Methods, Mental Maps, and Public Services Planning.

    ERIC Educational Resources Information Center

    Ridgeway, Trish

    Two library orientation methods, a self-guided cassette walking tour and a slide-tape program, were administered to 202 freshmen students to determine if moving through the library increased students' ability to develop a mental map of the library. An effort was made to ensure that the two orientation programs were equivalent. Results from the 148…

  14. Method for simulating paint mixing on computer monitors

    NASA Astrophysics Data System (ADS)

    Carabott, Ferdinand; Lewis, Garth; Piehl, Simon

    2002-06-01

    Computer programs like Adobe Photoshop can generate a mixture of two 'computer' colors by using the Gradient control. However, the resulting colors diverge from the equivalent paint mixtures in both hue and value. This study examines why programs like Photoshop are unable to simulate paint or pigment mixtures, and offers a solution using Photoshops existing tools. The article discusses how a library of colors, simulating paint mixtures, is created from 13 artists' colors. The mixtures can be imported into Photoshop as a color swatch palette of 1248 colors and as 78 continuous or stepped gradient files, all accessed in a new software package, Chromafile.

  15. Progress Towards Computational Method for Circulation Control Airfoils

    NASA Technical Reports Server (NTRS)

    Swanson, R. C.; Rumsey, C. L.; Anders, S. G.

    2005-01-01

    The compressible Reynolds-averaged Navier-Stokes equations are solved for circulation control airfoil flows. Numerical solutions are computed with both structured and unstructured grid solvers. Several turbulence models are considered, including the Spalart-Allmaras model with and without curvature corrections, the shear stress transport model of Menter, and the k-enstrophy model. Circulation control flows with jet momentum coefficients of 0.03, 0.10, and 0.226 are considered. Comparisons are made between computed and experimental pressure distributions, velocity profiles, Reynolds stress profiles, and streamline patterns. Including curvature effects yields the closest agreement with the measured data.

  16. New Methods of Mobile Computing: From Smartphones to Smart Education

    ERIC Educational Resources Information Center

    Sykes, Edward R.

    2014-01-01

    Every aspect of our daily lives has been touched by the ubiquitous nature of mobile devices. We have experienced an exponential growth of mobile computing--a trend that seems to have no limit. This paper provides a report on the findings of a recent offering of an iPhone Application Development course at Sheridan College, Ontario, Canada. It…

  17. Computer Facilitated Mathematical Methods in Chemical Engineering--Similarity Solution

    ERIC Educational Resources Information Center

    Subramanian, Venkat R.

    2006-01-01

    High-performance computers coupled with highly efficient numerical schemes and user-friendly software packages have helped instructors to teach numerical solutions and analysis of various nonlinear models more efficiently in the classroom. One of the main objectives of a model is to provide insight about the system of interest. Analytical…

  18. Verifying a computational method for predicting extreme ground motion

    USGS Publications Warehouse

    Harris, R.A.; Barall, M.; Andrews, D.J.; Duan, B.; Ma, S.; Dunham, E.M.; Gabriel, A.-A.; Kaneko, Y.; Kase, Y.; Aagaard, B.T.; Oglesby, D.D.; Ampuero, J.-P.; Hanks, T.C.; Abrahamson, N.

    2011-01-01

    In situations where seismological data is rare or nonexistent, computer simulations may be used to predict ground motions caused by future earthquakes. This is particularly practical in the case of extreme ground motions, where engineers of special buildings may need to design for an event that has not been historically observed but which may occur in the far-distant future. Once the simulations have been performed, however, they still need to be tested. The SCEC-USGS dynamic rupture code verification exercise provides a testing mechanism for simulations that involve spontaneous earthquake rupture. We have performed this examination for the specific computer code that was used to predict maximum possible ground motion near Yucca Mountain. Our SCEC-USGS group exercises have demonstrated that the specific computer code that was used for the Yucca Mountain simulations produces similar results to those produced by other computer codes when tackling the same science problem. We also found that the 3D ground motion simulations produced smaller ground motions than the 2D simulations.

  19. Computed radiography imaging plates and associated methods of manufacture

    SciTech Connect

    Henry, Nathaniel F.; Moses, Alex K.

    2015-08-18

    Computed radiography imaging plates incorporating an intensifying material that is coupled to or intermixed with the phosphor layer, allowing electrons and/or low energy x-rays to impart their energy on the phosphor layer, while decreasing internal scattering and increasing resolution. The radiation needed to perform radiography can also be reduced as a result.

  20. Simple computer method provides contours for radiological images

    NASA Technical Reports Server (NTRS)

    Newell, J. D.; Keller, R. A.; Baily, N. A.

    1975-01-01

    Computer is provided with information concerning boundaries in total image. Gradient of each point in digitized image is calculated with aid of threshold technique; then there is invoked set of algorithms designed to reduce number of gradient elements and to retain only major ones for definition of contour.

  1. 29 CFR 548.500 - Methods of computation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... computing overtime compensation for a piece worker for hours of work in excess of 8 in each day is the employee's average hourly earnings for all work performed during that day. 23 The employee is entitled to one-half the basic rate for each daily overtime hour in addition to the total piece work earnings...

  2. ICRP Publication 116—the first ICRP/ICRU application of the male and female adult reference computational phantoms

    NASA Astrophysics Data System (ADS)

    Petoussi-Henss, Nina; Bolch, Wesley E.; Eckerman, Keith F.; Endo, Akira; Hertel, Nolan; Hunt, John; Menzel, Hans G.; Pelliccioni, Maurizio; Schlattl, Helmut; Zankl, Maria

    2014-09-01

    ICRP Publication 116 on ‘Conversion coefficients for radiological protection quantities for external radiation exposures’, provides fluence-to-dose conversion coefficients for organ-absorbed doses and effective dose for various types of external exposures (ICRP 2010 ICRP Publication 116). The publication supersedes the ICRP Publication 74 (ICRP 1996 ICRP Publication 74, ICRU 1998 ICRU Report 57), including new particle types and expanding the energy ranges considered. The coefficients were calculated using the ICRP/ICRU computational phantoms (ICRP 2009 ICRP Publication 110) representing the reference adult male and reference adult female (ICRP 2002 ICRP Publication 89), together with a variety of Monte Carlo codes simulating the radiation transport in the body. Idealized whole-body irradiation from unidirectional and rotational parallel beams as well as isotropic irradiation was considered for a large variety of incident radiations and energy ranges. Comparison of the effective doses with operational quantities revealed that the latter quantities continue to provide a good approximation of effective dose for photons, neutrons and electrons for the ‘conventional’ energy ranges considered previously (ICRP 1996, ICRU 1998), but not at the higher energies of ICRP Publication 116.

  3. ICRP Publication 116--the first ICRP/ICRU application of the male and female adult reference computational phantoms.

    PubMed

    Petoussi-Henss, Nina; Bolch, Wesley E; Eckerman, Keith F; Endo, Akira; Hertel, Nolan; Hunt, John; Menzel, Hans G; Pelliccioni, Maurizio; Schlattl, Helmut; Zankl, Maria

    2014-09-21

    ICRP Publication 116 on 'Conversion coefficients for radiological protection quantities for external radiation exposures', provides fluence-to-dose conversion coefficients for organ-absorbed doses and effective dose for various types of external exposures (ICRP 2010 ICRP Publication 116). The publication supersedes the ICRP Publication 74 (ICRP 1996 ICRP Publication 74, ICRU 1998 ICRU Report 57), including new particle types and expanding the energy ranges considered. The coefficients were calculated using the ICRP/ICRU computational phantoms (ICRP 2009 ICRP Publication 110) representing the reference adult male and reference adult female (ICRP 2002 ICRP Publication 89), together with a variety of Monte Carlo codes simulating the radiation transport in the body. Idealized whole-body irradiation from unidirectional and rotational parallel beams as well as isotropic irradiation was considered for a large variety of incident radiations and energy ranges. Comparison of the effective doses with operational quantities revealed that the latter quantities continue to provide a good approximation of effective dose for photons, neutrons and electrons for the 'conventional' energy ranges considered previously (ICRP 1996, ICRU 1998), but not at the higher energies of ICRP Publication 116. PMID:25144220

  4. Minimizing the Free Energy: A Computer Method for Teaching Chemical Equilibrium Concepts.

    ERIC Educational Resources Information Center

    Heald, Emerson F.

    1978-01-01

    Presents a computer method for teaching chemical equilibrium concepts using material balance conditions and the minimization of the free energy. Method for the calculation of chemical equilibrium, the computer program used to solve equilibrium problems and applications of the method are also included. (HM)

  5. 29 CFR 4011.9 - Method and date of issuance of notice; computation of time.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 9 2010-07-01 2010-07-01 false Method and date of issuance of notice; computation of time... CORPORATION CERTAIN REPORTING AND DISCLOSURE REQUIREMENTS DISCLOSURE TO PARTICIPANTS § 4011.9 Method and date of issuance of notice; computation of time. (a) Method of issuance. The PBGC applies the rules...

  6. 3D modeling method for computer animate based on modified weak structured light method

    NASA Astrophysics Data System (ADS)

    Xiong, Hanwei; Pan, Ming; Zhang, Xiangwei

    2010-11-01

    A simple and affordable 3D scanner is designed in this paper. Three-dimensional digital models are playing an increasingly important role in many fields, such as computer animate, industrial design, artistic design and heritage conservation. For many complex shapes, optical measurement systems are indispensable to acquiring the 3D information. In the field of computer animate, such an optical measurement device is too expensive to be widely adopted, and on the other hand, the precision is not as critical a factor in that situation. In this paper, a new cheap 3D measurement system is implemented based on modified weak structured light, using only a video camera, a light source and a straight stick rotating on a fixed axis. For an ordinary weak structured light configuration, one or two reference planes are required, and the shadows on these planes must be tracked in the scanning process, which destroy the convenience of this method. In the modified system, reference planes are unnecessary, and size range of the scanned objects is expanded widely. A new calibration procedure is also realized for the proposed method, and points cloud is obtained by analyzing the shadow strips on the object. A two-stage ICP algorithm is used to merge the points cloud from different viewpoints to get a full description of the object, and after a series of operations, a NURBS surface model is generated in the end. A complex toy bear is used to verify the efficiency of the method, and errors range from 0.7783mm to 1.4326mm comparing with the ground truth measurement.

  7. On multigrid methods for the Navier-Stokes Computer

    NASA Technical Reports Server (NTRS)

    Nosenchuck, D. M.; Krist, S. E.; Zang, T. A.

    1988-01-01

    The overall architecture of the multipurpose parallel-processing Navier-Stokes Computer (NSC) being developed by Princeton and NASA Langley (Nosenchuck et al., 1986) is described and illustrated with extensive diagrams, and the NSC implementation of an elementary multigrid algorithm for simulating isotropic turbulence (based on solution of the incompressible time-dependent Navier-Stokes equations with constant viscosity) is characterized in detail. The present NSC design concept calls for 64 nodes, each with the performance of a class VI supercomputer, linked together by a fiber-optic hypercube network and joined to a front-end computer by a global bus. In this configuration, the NSC would have a storage capacity of over 32 Gword and a peak speed of over 40 Gflops. The multigrid Navier-Stokes code discussed would give sustained operation rates of about 25 Gflops.

  8. Application of traditional CFD methods to nonlinear computational aeroacoustics problems

    NASA Technical Reports Server (NTRS)

    Chyczewski, Thomas S.; Long, Lyle N.

    1995-01-01

    This paper describes an implementation of a high order finite difference technique and its application to the category 2 problems of the ICASE/LaRC Workshop on Computational Aeroacoustics (CAA). Essentially, a popular Computational Fluid Dynamics (CFD) approach (central differencing, Runge-Kutta time integration and artificial dissipation) is modified to handle aeroacoustic problems. The changes include increasing the order of the spatial differencing to sixth order and modifying the artificial dissipation so that it does not significantly contaminate the wave solution. All of the results were obtained from the CM5 located at the Numerical Aerodynamic Simulation Laboratory. lt was coded in CMFortran (very similar to HPF), using programming techniques developed for communication intensive large stencils, and ran very efficiently.

  9. 26 CFR 1.669(a)-3 - Tax computed by the exact throwback method.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 8 2011-04-01 2011-04-01 false Tax computed by the exact throwback method. 1... Applicable to Taxable Years Beginning Before January 1, 1969 § 1.669(a)-3 Tax computed by the exact throwback... elects to compute the tax, on amounts deemed distributed under section 666, by the exact throwback...

  10. Computational Methods for the Analysis of Array Comparative Genomic Hybridization

    PubMed Central

    Chari, Raj; Lockwood, William W.; Lam, Wan L.

    2006-01-01

    Array comparative genomic hybridization (array CGH) is a technique for assaying the copy number status of cancer genomes. The widespread use of this technology has lead to a rapid accumulation of high throughput data, which in turn has prompted the development of computational strategies for the analysis of array CGH data. Here we explain the principles behind array image processing, data visualization and genomic profile analysis, review currently available software packages, and raise considerations for future software development. PMID:17992253

  11. Analysis of multigrid methods on massively parallel computers: Architectural implications

    NASA Technical Reports Server (NTRS)

    Matheson, Lesley R.; Tarjan, Robert E.

    1993-01-01

    We study the potential performance of multigrid algorithms running on massively parallel computers with the intent of discovering whether presently envisioned machines will provide an efficient platform for such algorithms. We consider the domain parallel version of the standard V cycle algorithm on model problems, discretized using finite difference techniques in two and three dimensions on block structured grids of size 10(exp 6) and 10(exp 9), respectively. Our models of parallel computation were developed to reflect the computing characteristics of the current generation of massively parallel multicomputers. These models are based on an interconnection network of 256 to 16,384 message passing, 'workstation size' processors executing in an SPMD mode. The first model accomplishes interprocessor communications through a multistage permutation network. The communication cost is a logarithmic function which is similar to the costs in a variety of different topologies. The second model allows single stage communication costs only. Both models were designed with information provided by machine developers and utilize implementation derived parameters. With the medium grain parallelism of the current generation and the high fixed cost of an interprocessor communication, our analysis suggests an efficient implementation requires the machine to support the efficient transmission of long messages, (up to 1000 words) or the high initiation cost of a communication must be significantly reduced through an alternative optimization technique. Furthermore, with variable length message capability, our analysis suggests the low diameter multistage networks provide little or no advantage over a simple single stage communications network.

  12. Unconventional methods of imaging: computational microscopy and compact implementations

    NASA Astrophysics Data System (ADS)

    McLeod, Euan; Ozcan, Aydogan

    2016-07-01

    In the past two decades or so, there has been a renaissance of optical microscopy research and development. Much work has been done in an effort to improve the resolution and sensitivity of microscopes, while at the same time to introduce new imaging modalities, and make existing imaging systems more efficient and more accessible. In this review, we look at two particular aspects of this renaissance: computational imaging techniques and compact imaging platforms. In many cases, these aspects go hand-in-hand because the use of computational techniques can simplify the demands placed on optical hardware in obtaining a desired imaging performance. In the first main section, we cover lens-based computational imaging, in particular, light-field microscopy, structured illumination, synthetic aperture, Fourier ptychography, and compressive imaging. In the second main section, we review lensfree holographic on-chip imaging, including how images are reconstructed, phase recovery techniques, and integration with smart substrates for more advanced imaging tasks. In the third main section we describe how these and other microscopy modalities have been implemented in compact and field-portable devices, often based around smartphones. Finally, we conclude with some comments about opportunities and demand for better results, and where we believe the field is heading.

  13. Frequency response modeling and control of flexible structures: Computational methods

    NASA Technical Reports Server (NTRS)

    Bennett, William H.

    1989-01-01

    The dynamics of vibrations in flexible structures can be conventiently modeled in terms of frequency response models. For structural control such models capture the distributed parameter dynamics of the elastic structural response as an irrational transfer function. For most flexible structures arising in aerospace applications the irrational transfer functions which arise are of a special class of pseudo-meromorphic functions which have only a finite number of right half place poles. Computational algorithms are demonstrated for design of multiloop control laws for such models based on optimal Wiener-Hopf control of the frequency responses. The algorithms employ a sampled-data representation of irrational transfer functions which is particularly attractive for numerical computation. One key algorithm for the solution of the optimal control problem is the spectral factorization of an irrational transfer function. The basis for the spectral factorization algorithm is highlighted together with associated computational issues arising in optimal regulator design. Options for implementation of wide band vibration control for flexible structures based on the sampled-data frequency response models is also highlighted. A simple flexible structure control example is considered to demonstrate the combined frequency response modeling and control algorithms.

  14. Computational Systems Biology in Cancer: Modeling Methods and Applications

    PubMed Central

    Materi, Wayne; Wishart, David S.

    2007-01-01

    In recent years it has become clear that carcinogenesis is a complex process, both at the molecular and cellular levels. Understanding the origins, growth and spread of cancer, therefore requires an integrated or system-wide approach. Computational systems biology is an emerging sub-discipline in systems biology that utilizes the wealth of data from genomic, proteomic and metabolomic studies to build computer simulations of intra and intercellular processes. Several useful descriptive and predictive models of the origin, growth and spread of cancers have been developed in an effort to better understand the disease and potential therapeutic approaches. In this review we describe and assess the practical and theoretical underpinnings of commonly-used modeling approaches, including ordinary and partial differential equations, petri nets, cellular automata, agent based models and hybrid systems. A number of computer-based formalisms have been implemented to improve the accessibility of the various approaches to researchers whose primary interest lies outside of model development. We discuss several of these and describe how they have led to novel insights into tumor genesis, growth, apoptosis, vascularization and therapy. PMID:19936081

  15. Unconventional methods of imaging: computational microscopy and compact implementations.

    PubMed

    McLeod, Euan; Ozcan, Aydogan

    2016-07-01

    In the past two decades or so, there has been a renaissance of optical microscopy research and development. Much work has been done in an effort to improve the resolution and sensitivity of microscopes, while at the same time to introduce new imaging modalities, and make existing imaging systems more efficient and more accessible. In this review, we look at two particular aspects of this renaissance: computational imaging techniques and compact imaging platforms. In many cases, these aspects go hand-in-hand because the use of computational techniques can simplify the demands placed on optical hardware in obtaining a desired imaging performance. In the first main section, we cover lens-based computational imaging, in particular, light-field microscopy, structured illumination, synthetic aperture, Fourier ptychography, and compressive imaging. In the second main section, we review lensfree holographic on-chip imaging, including how images are reconstructed, phase recovery techniques, and integration with smart substrates for more advanced imaging tasks. In the third main section we describe how these and other microscopy modalities have been implemented in compact and field-portable devices, often based around smartphones. Finally, we conclude with some comments about opportunities and demand for better results, and where we believe the field is heading.

  16. Advanced Computational Methods for Security Constrained Financial Transmission Rights

    SciTech Connect

    Kalsi, Karanjit; Elbert, Stephen T.; Vlachopoulou, Maria; Zhou, Ning; Huang, Zhenyu

    2012-07-26

    Financial Transmission Rights (FTRs) are financial insurance tools to help power market participants reduce price risks associated with transmission congestion. FTRs are issued based on a process of solving a constrained optimization problem with the objective to maximize the FTR social welfare under power flow security constraints. Security constraints for different FTR categories (monthly, seasonal or annual) are usually coupled and the number of constraints increases exponentially with the number of categories. Commercial software for FTR calculation can only provide limited categories of FTRs due to the inherent computational challenges mentioned above. In this paper, first an innovative mathematical reformulation of the FTR problem is presented which dramatically improves the computational efficiency of optimization problem. After having re-formulated the problem, a novel non-linear dynamic system (NDS) approach is proposed to solve the optimization problem. The new formulation and performance of the NDS solver is benchmarked against widely used linear programming (LP) solvers like CPLEX™ and tested on both standard IEEE test systems and large-scale systems using data from the Western Electricity Coordinating Council (WECC). The performance of the NDS is demonstrated to be comparable and in some cases is shown to outperform the widely used CPLEX algorithms. The proposed formulation and NDS based solver is also easily parallelizable enabling further computational improvement.

  17. Unconventional methods of imaging: computational microscopy and compact implementations.

    PubMed

    McLeod, Euan; Ozcan, Aydogan

    2016-07-01

    In the past two decades or so, there has been a renaissance of optical microscopy research and development. Much work has been done in an effort to improve the resolution and sensitivity of microscopes, while at the same time to introduce new imaging modalities, and make existing imaging systems more efficient and more accessible. In this review, we look at two particular aspects of this renaissance: computational imaging techniques and compact imaging platforms. In many cases, these aspects go hand-in-hand because the use of computational techniques can simplify the demands placed on optical hardware in obtaining a desired imaging performance. In the first main section, we cover lens-based computational imaging, in particular, light-field microscopy, structured illumination, synthetic aperture, Fourier ptychography, and compressive imaging. In the second main section, we review lensfree holographic on-chip imaging, including how images are reconstructed, phase recovery techniques, and integration with smart substrates for more advanced imaging tasks. In the third main section we describe how these and other microscopy modalities have been implemented in compact and field-portable devices, often based around smartphones. Finally, we conclude with some comments about opportunities and demand for better results, and where we believe the field is heading. PMID:27214407

  18. BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology.

    PubMed

    Gilson, Michael K; Liu, Tiqing; Baitaluk, Michael; Nicola, George; Hwang, Linda; Chong, Jenny

    2016-01-01

    BindingDB, www.bindingdb.org, is a publicly accessible database of experimental protein-small molecule interaction data. Its collection of over a million data entries derives primarily from scientific articles and, increasingly, US patents. BindingDB provides many ways to browse and search for data of interest, including an advanced search tool, which can cross searches of multiple query types, including text, chemical structure, protein sequence and numerical affinities. The PDB and PubMed provide links to data in BindingDB, and vice versa; and BindingDB provides links to pathway information, the ZINC catalog of available compounds, and other resources. The BindingDB website offers specialized tools that take advantage of its large data collection, including ones to generate hypotheses for the protein targets bound by a bioactive compound, and for the compounds bound by a new protein of known sequence; and virtual compound screening by maximal chemical similarity, binary kernel discrimination, and support vector machine methods. Specialized data sets are also available, such as binding data for hundreds of congeneric series of ligands, drawn from BindingDB and organized for use in validating drug design methods. BindingDB offers several forms of programmatic access, and comes with extensive background material and documentation. Here, we provide the first update of BindingDB since 2007, focusing on new and unique features and highlighting directions of importance to the field as a whole.

  19. BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

    PubMed Central

    Gilson, Michael K.; Liu, Tiqing; Baitaluk, Michael; Nicola, George; Hwang, Linda; Chong, Jenny

    2016-01-01

    BindingDB, www.bindingdb.org, is a publicly accessible database of experimental protein-small molecule interaction data. Its collection of over a million data entries derives primarily from scientific articles and, increasingly, US patents. BindingDB provides many ways to browse and search for data of interest, including an advanced search tool, which can cross searches of multiple query types, including text, chemical structure, protein sequence and numerical affinities. The PDB and PubMed provide links to data in BindingDB, and vice versa; and BindingDB provides links to pathway information, the ZINC catalog of available compounds, and other resources. The BindingDB website offers specialized tools that take advantage of its large data collection, including ones to generate hypotheses for the protein targets bound by a bioactive compound, and for the compounds bound by a new protein of known sequence; and virtual compound screening by maximal chemical similarity, binary kernel discrimination, and support vector machine methods. Specialized data sets are also available, such as binding data for hundreds of congeneric series of ligands, drawn from BindingDB and organized for use in validating drug design methods. BindingDB offers several forms of programmatic access, and comes with extensive background material and documentation. Here, we provide the first update of BindingDB since 2007, focusing on new and unique features and highlighting directions of importance to the field as a whole. PMID:26481362

  20. Multi-Level iterative methods in computational plasma physics

    SciTech Connect

    Knoll, D.A.; Barnes, D.C.; Brackbill, J.U.; Chacon, L.; Lapenta, G.

    1999-03-01

    Plasma physics phenomena occur on a wide range of spatial scales and on a wide range of time scales. When attempting to model plasma physics problems numerically the authors are inevitably faced with the need for both fine spatial resolution (fine grids) and implicit time integration methods. Fine grids can tax the efficiency of iterative methods and large time steps can challenge the robustness of iterative methods. To meet these challenges they are developing a hybrid approach where multigrid methods are used as preconditioners to Krylov subspace based iterative methods such as conjugate gradients or GMRES. For nonlinear problems they apply multigrid preconditioning to a matrix-few Newton-GMRES method. Results are presented for application of these multilevel iterative methods to the field solves in implicit moment method PIC, multidimensional nonlinear Fokker-Planck problems, and their initial efforts in particle MHD.

  1. Computing and monitoring potential of public spaces by shading analysis using 3d lidar data and advanced image analysis

    NASA Astrophysics Data System (ADS)

    Zwolinski, A.; Jarzemski, M.

    2015-04-01

    The paper regards specific context of public spaces in "shadow" of tall buildings located in European cities. Majority of tall buildings in European cities were built in last 15 years. Tall buildings appear mainly in city centres, directly at important public spaces being viable environment for inhabitants with variety of public functions (open spaces, green areas, recreation places, shops, services etc.). All these amenities and services are under direct impact of extensive shading coming from the tall buildings. The paper focuses on analyses and representation of impact of shading from tall buildings on various public spaces in cities using 3D city models. Computer environment of 3D city models in cityGML standard uses 3D LiDAR data as one of data types for definition of 3D cities. The structure of cityGML allows analytic applications using existing computer tools, as well as developing new techniques to estimate extent of shading coming from high-risers, affecting life in public spaces. These measurable shading parameters in specific time are crucial for proper functioning, viability and attractiveness of public spaces - finally it is extremely important for location of tall buildings at main public spaces in cities. The paper explores impact of shading from tall buildings in different spatial contexts on the background of using cityGML models based on core LIDAR data to support controlled urban development in sense of viable public spaces. The article is prepared within research project 2TaLL: Application of 3D Virtual City Models in Urban Analyses of Tall Buildings, realized as a part of Polish-Norway Grants.

  2. A rational interpolation method to compute frequency response

    NASA Technical Reports Server (NTRS)

    Kenney, Charles; Stubberud, Stephen; Laub, Alan J.

    1993-01-01

    A rational interpolation method for approximating a frequency response is presented. The method is based on a product formulation of finite differences, thereby avoiding the numerical problems incurred by near-equal-valued subtraction. Also, resonant pole and zero cancellation schemes are developed that increase the accuracy and efficiency of the interpolation method. Selection techniques of interpolation points are also discussed.

  3. Methods for Computationally Efficient Structured CFD Simulations of Complex Turbomachinery Flows

    NASA Technical Reports Server (NTRS)

    Herrick, Gregory P.; Chen, Jen-Ping

    2012-01-01

    This research presents more efficient computational methods by which to perform multi-block structured Computational Fluid Dynamics (CFD) simulations of turbomachinery, thus facilitating higher-fidelity solutions of complicated geometries and their associated flows. This computational framework offers flexibility in allocating resources to balance process count and wall-clock computation time, while facilitating research interests of simulating axial compressor stall inception with more complete gridding of the flow passages and rotor tip clearance regions than is typically practiced with structured codes. The paradigm presented herein facilitates CFD simulation of previously impractical geometries and flows. These methods are validated and demonstrate improved computational efficiency when applied to complicated geometries and flows.

  4. ADVANCED METHODS FOR THE COMPUTATION OF PARTICLE BEAM TRANSPORT AND THE COMPUTATION OF ELECTROMAGNETIC FIELDS AND MULTIPARTICLE PHENOMENA

    SciTech Connect

    Alex J. Dragt

    2012-08-31

    Since 1980, under the grant DEFG02-96ER40949, the Department of Energy has supported the educational and research work of the University of Maryland Dynamical Systems and Accelerator Theory (DSAT) Group. The primary focus of this educational/research group has been on the computation and analysis of charged-particle beam transport using Lie algebraic methods, and on advanced methods for the computation of electromagnetic fields and multiparticle phenomena. This Final Report summarizes the accomplishments of the DSAT Group from its inception in 1980 through its end in 2011.

  5. Shielding analysis methods available in the scale computational system

    SciTech Connect

    Parks, C.V.; Tang, J.S.; Hermann, O.W.; Bucholz, J.A.; Emmett, M.B.

    1986-01-01

    Computational tools have been included in the SCALE system to allow shielding analysis to be performed using both discrete-ordinates and Monte Carlo techniques. One-dimensional discrete ordinates analyses are performed with the XSDRNPM-S module, and point dose rates outside the shield are calculated with the XSDOSE module. Multidimensional analyses are performed with the MORSE-SGC/S Monte Carlo module. This paper will review the above modules and the four Shielding Analysis Sequences (SAS) developed for the SCALE system. 7 refs., 8 figs.

  6. Lattice QCD computations: Recent progress with modern Krylov subspace methods

    SciTech Connect

    Frommer, A.

    1996-12-31

    Quantum chromodynamics (QCD) is the fundamental theory of the strong interaction of matter. In order to compare the theory with results from experimental physics, the theory has to be reformulated as a discrete problem of lattice gauge theory using stochastic simulations. The computational challenge consists in solving several hundreds of very large linear systems with several right hand sides. A considerable part of the world`s supercomputer time is spent in such QCD calculations. This paper presents results on solving systems for the Wilson fermions. Recent progress is reviewed on algorithms obtained in cooperation with partners from theoretical physics.

  7. Predicted PAR1 inhibitors from multiple computational methods

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Liu, Jinfeng; Zhu, Tong; Zhang, Lujia; He, Xiao; Zhang, John Z. H.

    2016-08-01

    Multiple computational approaches are employed in order to find potentially strong binders of PAR1 from the two molecular databases: the Specs database containing more than 200,000 commercially available molecules and the traditional Chinese medicine (TCM) database. By combining the use of popular docking scoring functions together with detailed molecular dynamics simulation and protein-ligand free energy calculations, a total of fourteen molecules are found to be potentially strong binders of PAR1. The atomic details in protein-ligand interactions of these molecules with PAR1 are analyzed to help understand the binding mechanism which should be very useful in design of new drugs.

  8. Introduction to Computational Methods for Stability and Control (COMSAC)

    NASA Technical Reports Server (NTRS)

    Hall, Robert M.; Fremaux, C. Michael; Chambers, Joseph R.

    2004-01-01

    This Symposium is intended to bring together the often distinct cultures of the Stability and Control (S&C) community and the Computational Fluid Dynamics (CFD) community. The COMSAC program is itself a new effort by NASA Langley to accelerate the application of high end CFD methodologies to the demanding job of predicting stability and control characteristics of aircraft. This talk is intended to set the stage for needing a program like COMSAC. It is not intended to give details of the program itself. The topics include: 1) S&C Challenges; 2) Aero prediction methodology; 3) CFD applications; 4) NASA COMSAC planning; 5) Objectives of symposium; and 6) Closing remarks.

  9. A method of computational magnetohydrodynamics defining stable Scyllac equilibria

    PubMed Central

    Betancourt, Octavio; Garabedian, Paul

    1977-01-01

    A computer code has been developed for the numerical calculation of sharp boundary equilibria of a toroidal plasma with diffuse pressure profile. This generalizes earlier work that was done separately on the sharp boundary and diffuse models, and it allows for large amplitude distortions of the plasma in three-dimensional space. By running the code, equilibria that are stable to the so-called m = 1, k = 0 mode have been found for Scyllac, which is a high beta toroidal confinement device of very large aspect ratio. PMID:16592383

  10. Thermal radiation view factor: Methods, accuracy and computer-aided procedures

    NASA Technical Reports Server (NTRS)

    Kadaba, P. V.

    1982-01-01

    The computer aided thermal analysis programs which predicts the result of predetermined acceptable temperature range prior to stationing of these orbiting equipment in various attitudes with respect to the Sun and the Earth was examined. Complexity of the surface geometries suggests the use of numerical schemes for the determination of these viewfactors. Basic definitions and standard methods which form the basis for various digital computer methods and various numerical methods are presented. The physical model and the mathematical methods on which a number of available programs are built are summarized. The strength and the weaknesses of the methods employed, the accuracy of the calculations and the time required for computations are evaluated. The situations where accuracies are important for energy calculations are identified and methods to save computational times are proposed. Guide to best use of the available programs at several centers and the future choices for efficient use of digital computers are included in the recommendations.

  11. Efficient Computer Network Anomaly Detection by Changepoint Detection Methods

    NASA Astrophysics Data System (ADS)

    Tartakovsky, Alexander G.; Polunchenko, Aleksey S.; Sokolov, Grigory

    2013-02-01

    We consider the problem of efficient on-line anomaly detection in computer network traffic. The problem is approached statistically, as that of sequential (quickest) changepoint detection. A multi-cyclic setting of quickest change detection is a natural fit for this problem. We propose a novel score-based multi-cyclic detection algorithm. The algorithm is based on the so-called Shiryaev-Roberts procedure. This procedure is as easy to employ in practice and as computationally inexpensive as the popular Cumulative Sum chart and the Exponentially Weighted Moving Average scheme. The likelihood ratio based Shiryaev-Roberts procedure has appealing optimality properties, particularly it is exactly optimal in a multi-cyclic setting geared to detect a change occurring at a far time horizon. It is therefore expected that an intrusion detection algorithm based on the Shiryaev-Roberts procedure will perform better than other detection schemes. This is confirmed experimentally for real traces. We also discuss the possibility of complementing our anomaly detection algorithm with a spectral-signature intrusion detection system with false alarm filtering and true attack confirmation capability, so as to obtain a synergistic system.

  12. An accurate and efficient computation method of the hydration free energy of a large, complex molecule.

    PubMed

    Yoshidome, Takashi; Ekimoto, Toru; Matubayasi, Nobuyuki; Harano, Yuichi; Kinoshita, Masahiro; Ikeguchi, Mitsunori

    2015-05-01

    The hydration free energy (HFE) is a crucially important physical quantity to discuss various chemical processes in aqueous solutions. Although an explicit-solvent computation with molecular dynamics (MD) simulations is a preferable treatment of the HFE, huge computational load has been inevitable for large, complex solutes like proteins. In the present paper, we propose an efficient computation method for the HFE. In our method, the HFE is computed as a sum of 〈UUV〉/2 (〈UUV〉 is the ensemble average of the sum of pair interaction energy between solute and water molecule) and the water reorganization term mainly reflecting the excluded volume effect. Since 〈UUV〉 can readily be computed through a MD of the system composed of solute and water, an efficient computation of the latter term leads to a reduction of computational load. We demonstrate that the water reorganization term can quantitatively be calculated using the morphometric approach (MA) which expresses the term as the linear combinations of the four geometric measures of a solute and the corresponding coefficients determined with the energy representation (ER) method. Since the MA enables us to finish the computation of the solvent reorganization term in less than 0.1 s once the coefficients are determined, the use of the MA enables us to provide an efficient computation of the HFE even for large, complex solutes. Through the applications, we find that our method has almost the same quantitative performance as the ER method with substantial reduction of the computational load. PMID:25956125

  13. Computational Method for Electrical Potential and Other Field Problems

    ERIC Educational Resources Information Center

    Hastings, David A.

    1975-01-01

    Proposes the finite differences relaxation method as a teaching tool in secondary and university level courses discussing electrical potential, temperature distribution in a region, and similar problems. Outlines the theory and operating procedures of the method, and discusses examples of teaching applications, including possible laboratory…

  14. Comparisons of Two Viscous Models for Vortex Methods in Parallel Computation

    NASA Astrophysics Data System (ADS)

    Lee, Sang Hwan; Jin, Dong Sik; Yoon, Jin Sup

    A parallel implementation of vortex methods dealing with unsteady viscous flows on a distributed computing environment through Parallel Virtual Machine (PVM) is reported in this paper. We test the recently developed diffusion schemes of vortex methods. We directly compare the particle strength exchange method with the vorticity distribution method in terms of their accuracy and computational efficiency. Comparisons between both viscous models described are presented for the impulsively started flows past a circular cylinder at Reynolds number 60. We also present the comparisons of both methods in their parallel computation efficiency and speed-up ratio.

  15. 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.

  16. COMPUTATIONAL METHODS FOR SENSITIVITY AND UNCERTAINTY ANALYSIS FOR ENVIRONMENTAL AND BIOLOGICAL MODELS

    EPA Science Inventory

    This work introduces a computationally efficient alternative method for uncertainty propagation, the Stochastic Response Surface Method (SRSM). The SRSM approximates uncertainties in model outputs through a series expansion in normal random variables (polynomial chaos expansion)...

  17. Advanced methods for the computation of particle beam transport and the computation of electromagnetic fields and beam-cavity interactions

    SciTech Connect

    Dragt, A.J.; Gluckstern, R.L.

    1990-11-01

    The University of Maryland Dynamical Systems and Accelerator Theory Group carries out research in two broad areas: the computation of charged particle beam transport using Lie algebraic methods and advanced methods for the computation of electromagnetic fields and beam-cavity interactions. Important improvements in the state of the art are believed to be possible in both of these areas. In addition, applications of these methods are made to problems of current interest in accelerator physics including the theoretical performance of present and proposed high energy machines. The Lie algebraic method of computing and analyzing beam transport handles both linear and nonlinear beam elements. Tests show this method to be superior to the earlier matrix or numerical integration methods. It has wide application to many areas including accelerator physics, intense particle beams, ion microprobes, high resolution electron microscopy, and light optics. With regard to the area of electromagnetic fields and beam cavity interactions, work is carried out on the theory of beam breakup in single pulses. Work is also done on the analysis of the high behavior of longitudinal and transverse coupling impendances, including the examination of methods which may be used to measure these impedances. Finally, work is performed on the electromagnetic analysis of coupled cavities and on the coupling of cavities to waveguides.

  18. 29 CFR 794.123 - Method of computing annual volume of sales.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 3 2011-07-01 2011-07-01 false Method of computing annual volume of sales. 794.123 Section 794.123 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR... of Sales § 794.123 Method of computing annual volume of sales. (a) Where the enterprise, during...

  19. 29 CFR 794.123 - Method of computing annual volume of sales.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 3 2013-07-01 2013-07-01 false Method of computing annual volume of sales. 794.123 Section... STANDARDS ACT Exemption From Overtime Pay Requirements Under Section 7(b)(3) of the Act Annual Gross Volume of Sales § 794.123 Method of computing annual volume of sales. (a) Where the enterprise, during...

  20. 29 CFR 794.123 - Method of computing annual volume of sales.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 3 2012-07-01 2012-07-01 false Method of computing annual volume of sales. 794.123 Section... STANDARDS ACT Exemption From Overtime Pay Requirements Under Section 7(b)(3) of the Act Annual Gross Volume of Sales § 794.123 Method of computing annual volume of sales. (a) Where the enterprise, during...

  1. 29 CFR 794.123 - Method of computing annual volume of sales.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 3 2014-07-01 2014-07-01 false Method of computing annual volume of sales. 794.123 Section... STANDARDS ACT Exemption From Overtime Pay Requirements Under Section 7(b)(3) of the Act Annual Gross Volume of Sales § 794.123 Method of computing annual volume of sales. (a) Where the enterprise, during...

  2. 29 CFR 794.123 - Method of computing annual volume of sales.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 3 2010-07-01 2010-07-01 false Method of computing annual volume of sales. 794.123 Section 794.123 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR... of Sales § 794.123 Method of computing annual volume of sales. (a) Where the enterprise, during...

  3. 29 CFR 4219.19 - Method and date of issuance; computation of time.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 9 2010-07-01 2010-07-01 false Method and date of issuance; computation of time. 4219.19... Redetermination of Withdrawal Liability Upon Mass Withdrawal § 4219.19 Method and date of issuance; computation of time. The PBGC applies the rules in subpart B of part 4000 of this chapter to determine...

  4. A finite element method for the computation of transonic flow past airfoils

    NASA Technical Reports Server (NTRS)

    Eberle, A.

    1980-01-01

    A finite element method for the computation of the transonic flow with shocks past airfoils is presented using the artificial viscosity concept for the local supersonic regime. Generally, the classic element types do not meet the accuracy requirements of advanced numerical aerodynamics requiring special attention to the choice of an appropriate element. A series of computed pressure distributions exhibits the usefulness of the method.

  5. Numerical method for computing flow through partially saturated porous media

    SciTech Connect

    Eaton, R.R.

    1983-01-01

    This paper discusses the development of the finite element computer code SAGUARO which calculates the two-dimensional flow of mass and energy through porous media. The media may be saturated or partially saturated. SAGUARO solves the parabolic time-dependent mass transport equation which accounts for the presence of partially saturated zones through the use of highly non-linear material characteristic curves. The energy equation accounts for the possibility of partially-saturated regions by adjusting the thermal capacitances and thermal conductivities according to the volume fraction of water present in the local pores. The code capabilities are demonstrated through the presentation of a sample problem involving the one-dimensional calculation of simultaneous energy transfer and water infiltration into partially saturated hard rock.

  6. Numerical method for computing flow through partially saturated porous media

    NASA Astrophysics Data System (ADS)

    Eaton, R. R.

    This paper discusses the development of the finite element computer code SAGUARO which calculates the two-dimensional flow of mass and energy through porous media. The media may be saturated or partially saturated. SAGUARO solves the parabolic time-dependent mass transport equation which accounts for the presence of partially saturated zones through the use of highly non-linear material characteristic curves. The energy equation accounts for the possibility of partially-saturated regions by adjusting the thermal capacitances and thermal conductivities according to the volume fraction of water present in the local pores. The code capabilities are demonstrated through the presentation of a sample problem involving the one dimensional calculation of simultaneous energy transfer and water infiltration into partially saturated hard rock.

  7. Standardized development of computer software. Part 1: Methods

    NASA Technical Reports Server (NTRS)

    Tausworthe, R. C.

    1976-01-01

    This work is a two-volume set on standards for modern software engineering methodology. This volume presents a tutorial and practical guide to the efficient development of reliable computer software, a unified and coordinated discipline for design, coding, testing, documentation, and project organization and management. The aim of the monograph is to provide formal disciplines for increasing the probability of securing software that is characterized by high degrees of initial correctness, readability, and maintainability, and to promote practices which aid in the consistent and orderly development of a total software system within schedule and budgetary constraints. These disciplines are set forth as a set of rules to be applied during software development to drastically reduce the time traditionally spent in debugging, to increase documentation quality, to foster understandability among those who must come in contact with it, and to facilitate operations and alterations of the program as requirements on the program environment change.

  8. Using MACSYMA to drive numerical methods to computer radiation integrals

    SciTech Connect

    Clark, B.A.

    1986-01-01

    Because the emission of thermal radiation is characterized by the Planck emission spectrum, a multigroup solution of the thermal-radiation transport equation demands the calculation of definite integrals of the Planck spectrum. In the past, many approximate methods have been used with varying degrees of accuracy and efficiency. This paper describes how a symbolic algebra package, in this case MACSYMA is used to develop new methods for accurately and efficiently evaluating multigroup Planck integrals. The advantage of using a symbolic algebra package is that the job of developing the new methods is accomplished more efficiently.

  9. Systems, computer-implemented methods, and tangible computer-readable storage media for wide-field interferometry

    NASA Technical Reports Server (NTRS)

    Lyon, Richard G. (Inventor); Leisawitz, David T. (Inventor); Rinehart, Stephen A. (Inventor); Memarsadeghi, Nargess (Inventor)

    2012-01-01

    Disclosed herein are systems, computer-implemented methods, and tangible computer-readable storage media for wide field imaging interferometry. The method includes for each point in a two dimensional detector array over a field of view of an image: gathering a first interferogram from a first detector and a second interferogram from a second detector, modulating a path-length for a signal from an image associated with the first interferogram in the first detector, overlaying first data from the modulated first detector and second data from the second detector, and tracking the modulating at every point in a two dimensional detector array comprising the first detector and the second detector over a field of view for the image. The method then generates a wide-field data cube based on the overlaid first data and second data for each point. The method can generate an image from the wide-field data cube.

  10. A locally refined rectangular grid finite element method - Application to computational fluid dynamics and computational physics

    NASA Technical Reports Server (NTRS)

    Young, David P.; Melvin, Robin G.; Bieterman, Michael B.; Johnson, Forrester T.; Samant, Satish S.

    1991-01-01

    The present FEM technique addresses both linear and nonlinear boundary value problems encountered in computational physics by handling general three-dimensional regions, boundary conditions, and material properties. The box finite elements used are defined by a Cartesian grid independent of the boundary definition, and local refinements proceed by dividing a given box element into eight subelements. Discretization employs trilinear approximations on the box elements; special element stiffness matrices are included for boxes cut by any boundary surface. Illustrative results are presented for representative aerodynamics problems involving up to 400,000 elements.

  11. Comparison of Two Numerical Methods for Computing Fractal Dimensions

    NASA Astrophysics Data System (ADS)

    Shiozawa, Yui; Miller, Bruce; Rouet, Jean-Louis

    2012-10-01

    From cosmology to economics, the examples of fractals can be found virtually everywhere. However, since few fractals permit the analytical evaluation of generalized fractal dimensions or R'enyi dimensions, the search for effective numerical methods is inevitable. In this project two promising numerical methods for obtaining generalized fractal dimensions, based on the distribution of distances within a set, are examined. They can be applied, in principle, to any set even if no closed-form expression is available. The biggest advantage of these methods is their ability to generate a spectrum of generalized dimensions almost simultaneously. It should be noted that this feature is essential to the analysis of multifractals. As a test of their effectiveness, here the methods were applied to the generalized Cantor set and the multiplicative binomial process. The generalized dimensions of both sets can be readily derived analytically, thus enabling the accuracy of the numerical methods to be verified. Here we will present a comparison of the analytical results and the predictions of the methods. We will show that, while they are effective, care must be taken in their interpretation.

  12. Computational methods to compute wavefront error due to aero-optic effects

    NASA Astrophysics Data System (ADS)

    Genberg, Victor; Michels, Gregory; Doyle, Keith; Bury, Mark; Sebastian, Thomas

    2013-09-01

    Aero-optic effects can have deleterious effects on high performance airborne optical sensors that must view through turbulent flow fields created by the aerodynamic effects of windows and domes. Evaluating aero-optic effects early in the program during the design stages allows mitigation strategies and optical system design trades to be performed to optimize system performance. This necessitates a computationally efficient means to evaluate the impact of aero-optic effects such that the resulting dynamic pointing errors and wavefront distortions due to the spatially and temporally varying flow field can be minimized or corrected. To this end, an aero-optic analysis capability was developed within the commercial software SigFit that couples CFD results with optical design tools. SigFit reads the CFD generated density profile using the CGNS file format. OPD maps are then created by converting the three-dimensional density field into an index of refraction field and then integrating along specified paths to compute OPD errors across the optical field. The OPD maps may be evaluated directly against system requirements or imported into commercial optical design software including Zemax® and Code V® for a more detailed assessment of the impact on optical performance from which design trades may be performed.

  13. Public Computer Assisted Learning Facilities for Children with Visual Impairment: Universal Design for Inclusive Learning

    ERIC Educational Resources Information Center

    Siu, Kin Wai Michael; Lam, Mei Seung

    2012-01-01

    Although computer assisted learning (CAL) is becoming increasingly popular, people with visual impairment face greater difficulty in accessing computer-assisted learning facilities. This is primarily because most of the current CAL facilities are not visually impaired friendly. People with visual impairment also do not normally have access to…

  14. The Status of Computing in Public Schools in the West Kootenay Region of British Columbia.

    ERIC Educational Resources Information Center

    Perra, Leonel L.

    The purpose of this study was to determine the status of the use of computers in the schools within the West Kootenay region of southeastern British Columbia (Canada). Thirty teachers, librarians, principals, and senior district administrators were interviewed to determine the computing background of the interviewees and how they were using…

  15. Methods for design and evaluation of integrated hardware-software systems for concurrent computation

    NASA Technical Reports Server (NTRS)

    Pratt, T. W.

    1985-01-01

    Research activities and publications are briefly summarized. The major tasks reviewed are: (1) VAX implementation of the PISCES parallel programming environment; (2) Apollo workstation network implementation of the PISCES environment; (3) FLEX implementation of the PISCES environment; (4) sparse matrix iterative solver in PSICES Fortran; (5) image processing application of PISCES; and (6) a formal model of concurrent computation being developed.

  16. A method of examining the structure and topological properties of public-transport networks

    NASA Astrophysics Data System (ADS)

    Dimitrov, Stavri Dimitri; Ceder, Avishai (Avi)

    2016-06-01

    This work presents a new method of examining the structure of public-transport networks (PTNs) and analyzes their topological properties through a combination of computer programming, statistical data and large-network analyses. In order to automate the extraction, processing and exporting of data, a software program was developed allowing to extract the needed data from General Transit Feed Specification, thus overcoming difficulties occurring in accessing and collecting data. The proposed method was applied to a real-life PTN in Auckland, New Zealand, with the purpose of examining whether it showed characteristics of scale-free networks and exhibited features of "small-world" networks. As a result, new regression equations were derived analytically describing observed, strong, non-linear relationships among the probabilities of randomly chosen stops in the PTN to be serviced by a given number of routes. The established dependence is best fitted by an exponential rather than a power-law function, showing that the PTN examined is neither random nor scale-free, but a mixture of the two. This finding explains the presence of hubs that are not typical of exponential networks and simultaneously not highly connected to the other nodes as is the case with scale-free networks. On the other hand, the observed values of the topological properties of the network show that although it is highly clustered, owing to its representation as a directed graph, it differs slightly from "small-world" networks, which are characterized by strong clustering and a short average path length.

  17. Computer-aided diagnosis system: a Bayesian hybrid classification method.

    PubMed

    Calle-Alonso, F; Pérez, C J; Arias-Nicolás, J P; Martín, J

    2013-10-01

    A novel method to classify multi-class biomedical objects is presented. The method is based on a hybrid approach which combines pairwise comparison, Bayesian regression and the k-nearest neighbor technique. It can be applied in a fully automatic way or in a relevance feedback framework. In the latter case, the information obtained from both an expert and the automatic classification is iteratively used to improve the results until a certain accuracy level is achieved, then, the learning process is finished and new classifications can be automatically performed. The method has been applied in two biomedical contexts by following the same cross-validation schemes as in the original studies. The first one refers to cancer diagnosis, leading to an accuracy of 77.35% versus 66.37%, originally obtained. The second one considers the diagnosis of pathologies of the vertebral column. The original method achieves accuracies ranging from 76.5% to 96.7%, and from 82.3% to 97.1% in two different cross-validation schemes. Even with no supervision, the proposed method reaches 96.71% and 97.32% in these two cases. By using a supervised framework the achieved accuracy is 97.74%. Furthermore, all abnormal cases were correctly classified.

  18. Large-Scale Automated Analysis of News Media: A Novel Computational Method for Obesity Policy Research

    PubMed Central

    Hamad, Rita; Pomeranz, Jennifer L.; Siddiqi, Arjumand; Basu, Sanjay

    2015-01-01

    Objective Analyzing news media allows obesity policy researchers to understand popular conceptions about obesity, which is important for targeting health education and policies. A persistent dilemma is that investigators have to read and manually classify thousands of individual news articles to identify how obesity and obesity-related policy proposals may be described to the public in the media. We demonstrate a novel method called “automated content analysis” that permits researchers to train computers to “read” and classify massive volumes of documents. Methods We identified 14,302 newspaper articles that mentioned the word “obesity” during 2011–2012. We examined four states that vary in obesity prevalence and policy (Alabama, California, New Jersey, and North Carolina). We tested the reliability of an automated program to categorize the media’s “framing” of obesity as an individual-level problem (e.g., diet) and/or an environmental-level problem (e.g., obesogenic environment). Results The automated program performed similarly to human coders. The proportion of articles with individual-level framing (27.7–31.0%) was higher than the proportion with neutral (18.0–22.1%) or environmental-level framing (16.0–16.4%) across all states and over the entire study period (p<0.05). Conclusion We demonstrate a novel approach to the study of how obesity concepts are communicated and propagated in news media. PMID:25522013

  19. 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.

  20. Computational methods of robust controller design for aerodynamic flutter suppression

    NASA Technical Reports Server (NTRS)

    Anderson, L. R.

    1981-01-01

    The development of Riccati iteration, a tool for the design and analysis of linear control systems is examined. First, Riccati iteration is applied to the problem of pole placement and order reduction in two-time scale control systems. Order reduction, yielding a good approximation to the original system, is demonstrated using a 16th order linear model of a turbofan engine. Next, a numerical method for solving the Riccati equation is presented and demonstrated for a set of eighth order random examples. A literature review of robust controller design methods follows which includes a number of methods for reducing the trajectory and performance index sensitivity in linear regulators. Lastly, robust controller design for large parameter variations is discussed.

  1. Computational Biology Methods for Characterization of Pluripotent Cells.

    PubMed

    Araúzo-Bravo, Marcos J

    2016-01-01

    Pluripotent cells are a powerful tool for regenerative medicine and drug discovery. Several techniques have been developed to induce pluripotency, or to extract pluripotent cells from different tissues and biological fluids. However, the characterization of pluripotency requires tedious, expensive, time-consuming, and not always reliable wet-lab experiments; thus, an easy, standard quality-control protocol of pluripotency assessment remains to be established. Here to help comes the use of high-throughput techniques, and in particular, the employment of gene expression microarrays, which has become a complementary technique for cellular characterization. Research has shown that the transcriptomics comparison with an Embryonic Stem Cell (ESC) of reference is a good approach to assess the pluripotency. Under the premise that the best protocol is a computer software source code, here I propose and explain line by line a software protocol coded in R-Bioconductor for pluripotency assessment based on the comparison of transcriptomics data of pluripotent cells with an ESC of reference. I provide advice for experimental design, warning about possible pitfalls, and guides for results interpretation.

  2. Modern Electrophysiological Methods for Brain-Computer Interfaces

    PubMed Central

    Grave de Peralta Menendez, Rolando; Noirhomme, Quentin; Cincotti, Febo; Mattia, Donatella; Aloise, Fabio; González Andino, Sara

    2007-01-01

    Modern electrophysiological studies in animals show that the spectrum of neural oscillations encoding relevant information is broader than previously thought and that many diverse areas are engaged for very simple tasks. However, EEG-based brain-computer interfaces (BCI) still employ as control modality relatively slow brain rhythms or features derived from preselected frequencies and scalp locations. Here, we describe the strategy and the algorithms we have developed for the analysis of electrophysiological data and demonstrate their capacity to lead to faster accurate decisions based on linear classifiers. To illustrate this strategy, we analyzed two typical BCI tasks. (1) Mu-rhythm control of a cursor movement by a paraplegic patient. For this data, we show that although the patient received extensive training in mu-rhythm control, valuable information about movement imagination is present on the untrained high-frequency rhythms. This is the first demonstration of the importance of high-frequency rhythms in imagined limb movements. (2) Self-paced finger tapping task in three healthy subjects including the data set used in the BCI-2003 competition. We show that by selecting electrodes and frequency ranges based on their discriminative power, the classification rates can be systematically improved with respect to results published thus far. PMID:18288256

  3. NMR quantum computing: applying theoretical methods to designing enhanced systems.

    PubMed

    Mawhinney, Robert C; Schreckenbach, Georg

    2004-10-01

    Density functional theory results for chemical shifts and spin-spin coupling constants are presented for compounds currently used in NMR quantum computing experiments. Specific design criteria were examined and numerical guidelines were assessed. Using a field strength of 7.0 T, protons require a coupling constant of 4 Hz with a chemical shift separation of 0.3 ppm, whereas carbon needs a coupling constant of 25 Hz for a chemical shift difference of 10 ppm, based on the minimal coupling approximation. Using these guidelines, it was determined that 2,3-dibromothiophene is limited to only two qubits; the three qubit system bromotrifluoroethene could be expanded to five qubits and the three qubit system 2,3-dibromopropanoic acid could also be used as a six qubit system. An examination of substituent effects showed that judiciously choosing specific groups could increase the number of available qubits by removing rotational degeneracies in addition to introducing specific conformational preferences that could increase (or decrease) the magnitude of the couplings. The introduction of one site of unsaturation can lead to a marked improvement in spectroscopic properties, even increasing the number of active nuclei.

  4. Fast calculation method of computer-generated cylindrical hologram using wave-front recording surface.

    PubMed

    Zhao, Yu; Piao, Mei-lan; Li, Gang; Kim, Nam

    2015-07-01

    Fast calculation method for a computer-generated cylindrical hologram (CGCH) is proposed. The method consists of two steps: the first step is a calculation of a virtual wave-front recording surface (WRS), which is located between the 3D object and CGCH. In the second step, in order to obtain a CGCH, we execute the diffraction calculation based on the fast Fourier transform (FFT) from the WRS to the CGCH, which are in the same concentric arrangement. The computational complexity is dramatically reduced in comparison with direct integration method. The simulation results confirm that our proposed method is able to improve the computational speed of CGCH.

  5. An inverse method for computation of structural stiffness distributions of aeroelastically optimized wings

    NASA Astrophysics Data System (ADS)

    Schuster, David M.

    1993-04-01

    An inverse method has been developed to compute the structural stiffness properties of wings given a specified wing loading and aeroelastic twist distribution. The method directly solves for the bending and torsional stiffness distribution of the wing using a modal representation of these properties. An aeroelastic design problem involving the use of a computational aerodynamics method to optimize the aeroelastic twist distribution of a tighter wing operating at maneuver flight conditions is used to demonstrate the application of the method. This exercise verifies the ability of the inverse scheme to accurately compute the structural stiffness distribution required to generate a specific aeroelastic twist under a specified aeroelastic load.

  6. Performance evaluation of motion compensation methods in ISAR by computer simulation

    NASA Astrophysics Data System (ADS)

    Zhu, Zhaoda; Wu, Xiaoqing

    Three methods of motion compensation are considered: the scatterer point referencing method, the track-the-target centroid method, and the maximum likelihood (ML) image formation and motion compensation method. Computer simulations of imaging an aircraft in straight flight by a ground-based ISAR (inverse synthetic aperture radar) were carried out. The SNR performance, the susceptibility to target scintillation, and the computational complexity of the three methods are evaluated and compared. It is shown that the scatterer point referencing method is simple in computation, but is susceptible to target scintillation. The track-the-target centroid method and the ML method are able to greatly reduce the track loss arising from target scintillation at the cost of a higher computational load. The SNR performance of the track-the-target centroid method is poorer than that of the other two methods. The ML method suffers from the largest computational complexity among the three methods. Nevertheless, the ML method can provide the best SNR performance of the three methods.

  7. Combination of Thin Lenses--A Computer Oriented Method.

    ERIC Educational Resources Information Center

    Flerackers, E. L. M.; And Others

    1984-01-01

    Suggests a method treating geometric optics using a microcomputer to do the calculations of image formation. Calculations are based on the connection between the composition of lenses and the mathematics of fractional linear equations. Logic of the analysis and an example problem are included. (JM)

  8. Using Computers in Relation to Learning Climate in CLIL Method

    ERIC Educational Resources Information Center

    Binterová, Helena; Komínková, Olga

    2013-01-01

    The main purpose of the work is to present a successful implementation of CLIL method in Mathematics lessons in elementary schools. Nowadays at all types of schools (elementary schools, high schools and universities) all over the world every school subject tends to be taught in a foreign language. In 2003, a document called Action plan for…

  9. Method and Apparatus for Computed Imaging Backscatter Radiography

    NASA Technical Reports Server (NTRS)

    Shedlock, Daniel (Inventor); Meng, Christopher (Inventor); Sabri, Nissia (Inventor); Dugan, Edward T. (Inventor); Jacobs, Alan M. (Inventor)

    2013-01-01

    Systems and methods of x-ray backscatter radiography are provided. A single-sided, non-destructive imaging technique utilizing x-ray radiation to image subsurface features is disclosed, capable of scanning a region using a fan beam aperture and gathering data using rotational motion.

  10. 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.

  11. New Computational Methods for the Prediction and Analysis of Helicopter Noise

    NASA Technical Reports Server (NTRS)

    Strawn, Roger C.; Oliker, Leonid; Biswas, Rupak

    1996-01-01

    This paper describes several new methods to predict and analyze rotorcraft noise. These methods are: 1) a combined computational fluid dynamics and Kirchhoff scheme for far-field noise predictions, 2) parallel computer implementation of the Kirchhoff integrations, 3) audio and visual rendering of the computed acoustic predictions over large far-field regions, and 4) acoustic tracebacks to the Kirchhoff surface to pinpoint the sources of the rotor noise. The paper describes each method and presents sample results for three test cases. The first case consists of in-plane high-speed impulsive noise and the other two cases show idealized parallel and oblique blade-vortex interactions. The computed results show good agreement with available experimental data but convey much more information about the far-field noise propagation. When taken together, these new analysis methods exploit the power of new computer technologies and offer the potential to significantly improve our prediction and understanding of rotorcraft noise.

  12. Intelligent classification methods of grain kernels using computer vision analysis

    NASA Astrophysics Data System (ADS)

    Lee, Choon Young; Yan, Lei; Wang, Tianfeng; Lee, Sang Ryong; Park, Cheol Woo

    2011-06-01

    In this paper, a digital image analysis method was developed to classify seven kinds of individual grain kernels (common rice, glutinous rice, rough rice, brown rice, buckwheat, common barley and glutinous barley) widely planted in Korea. A total of 2800 color images of individual grain kernels were acquired as a data set. Seven color and ten morphological features were extracted and processed by linear discriminant analysis to improve the efficiency of the identification process. The output features from linear discriminant analysis were used as input to the four-layer back-propagation network to classify different grain kernel varieties. The data set was divided into three groups: 70% for training, 20% for validation, and 10% for testing the network. The classification experimental results show that the proposed method is able to classify the grain kernel varieties efficiently.

  13. Theoretical studies of potential energy surfaces and computational methods.

    SciTech Connect

    Shepard, R.

    2006-01-01

    This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces (PES) involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. Most of our work focuses on general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of molecular geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.

  14. Computer method for design of acoustic liners for turbofan engines

    NASA Technical Reports Server (NTRS)

    Minner, G. L.; Rice, E. J.

    1976-01-01

    A design package is presented for the specification of acoustic liners for turbofans. An estimate of the noise generation was made based on modifications of existing noise correlations, for which the inputs are basic fan aerodynamic design variables. The method does not predict multiple pure tones. A target attenuation spectrum was calculated which was the difference between the estimated generation spectrum and a flat annoyance-weighted goal attenuated spectrum. The target spectrum was combined with a knowledge of acoustic liner performance as a function of the liner design variables to specify the acoustic design. The liner design method at present is limited to annular duct configurations. The detailed structure of the liner was specified by combining the required impedance (which is a result of the previous step) with a mathematical model relating impedance to the detailed structure. The design procedure was developed for a liner constructed of perforated sheet placed over honeycomb backing cavities. A sample calculation was carried through in order to demonstrate the design procedure, and experimental results presented show good agreement with the calculated results of the method.

  15. Theoretical studies of potential energy surfaces and computational methods

    SciTech Connect

    Shepard, R.

    1993-12-01

    This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.

  16. Methods of Conserving Heating Energy Utilized in Thirty-One Public School Systems.

    ERIC Educational Resources Information Center

    Davis, Kathy Eggers

    The Memphis City School System was notified by Memphis Light, Gas, and Water that it was necessary to reduce its consumption of natural gas during the winter of 1975-76. A survey was developed and sent to 44 large public school systems to determine which methods of heating energy conservation were used most frequently and which methods were most…

  17. Clustering Scientific Publications Based on Citation Relations: A Systematic Comparison of Different Methods.

    PubMed

    Šubelj, Lovro; van Eck, Nees Jan; Waltman, Ludo

    2016-01-01

    Clustering methods are applied regularly in the bibliometric literature to identify research areas or scientific fields. These methods are for instance used to group publications into clusters based on their relations in a citation network. In the network science literature, many clustering methods, often referred to as graph partitioning or community detection techniques, have been developed. Focusing on the problem of clustering the publications in a citation network, we present a systematic comparison of the performance of a large number of these clustering methods. Using a number of different citation networks, some of them relatively small and others very large, we extensively study the statistical properties of the results provided by different methods. In addition, we also carry out an expert-based assessment of the results produced by different methods. The expert-based assessment focuses on publications in the field of scientometrics. Our findings seem to indicate that there is a trade-off between different properties that may be considered desirable for a good clustering of publications. Overall, map equation methods appear to perform best in our analysis, suggesting that these methods deserve more attention from the bibliometric community.

  18. Clustering Scientific Publications Based on Citation Relations: A Systematic Comparison of Different Methods

    PubMed Central

    Šubelj, Lovro; van Eck, Nees Jan; Waltman, Ludo

    2016-01-01

    Clustering methods are applied regularly in the bibliometric literature to identify research areas or scientific fields. These methods are for instance used to group publications into clusters based on their relations in a citation network. In the network science literature, many clustering methods, often referred to as graph partitioning or community detection techniques, have been developed. Focusing on the problem of clustering the publications in a citation network, we present a systematic comparison of the performance of a large number of these clustering methods. Using a number of different citation networks, some of them relatively small and others very large, we extensively study the statistical properties of the results provided by different methods. In addition, we also carry out an expert-based assessment of the results produced by different methods. The expert-based assessment focuses on publications in the field of scientometrics. Our findings seem to indicate that there is a trade-off between different properties that may be considered desirable for a good clustering of publications. Overall, map equation methods appear to perform best in our analysis, suggesting that these methods deserve more attention from the bibliometric community. PMID:27124610

  19. Comparative Research: An Approach to Teaching Research Methods in Political Science and Public Administration

    ERIC Educational Resources Information Center

    Engbers, Trent A

    2016-01-01

    The teaching of research methods has been at the core of public administration education for almost 30 years. But since 1990, this journal has published only two articles on the teaching of research methods. Given the increasing emphasis on data driven decision-making, greater insight is needed into the best practices for teaching public…

  20. Estimating cost-effectiveness in public health: a summary of modelling and valuation methods

    PubMed Central

    2012-01-01

    It is acknowledged that economic evaluation methods as they have been developed for Health Technology Assessment do not capture all the costs and benefits relevant to the assessment of public health interventions. This paper reviews methods that could be employed to measure and value the broader set of benefits generated by public health interventions. It is proposed that two key developments are required if this vision is to be achieved. First, there is a trend to modelling approaches that better capture the effects of public health interventions. This trend needs to continue, and economists need to consider a broader range of modelling techniques than are currently employed to assess public health interventions. The selection and implementation of alternative modelling techniques should be facilitated by the production of better data on the behavioural outcomes generated by public health interventions. Second, economists are currently exploring a number of valuation paradigms that hold the promise of more appropriate valuation of public health interventions outcomes. These include the capabilities approach and the subjective well-being approach, both of which offer the possibility of broader measures of value than the approaches currently employed by health economists. These developments should not, however, be made by economists alone. These questions, in particular what method should be used to value public health outcomes, require social value judgements that are beyond the capacity of economists. This choice will require consultation with policy makers, and perhaps even the general public. Such collaboration would have the benefit of ensuring that the methods developed are useful for decision makers. PMID:22943762

  1. 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.

  2. A rigid motion correction method for helical computed tomography (CT)

    NASA Astrophysics Data System (ADS)

    Kim, J.-H.; Nuyts, J.; Kyme, A.; Kuncic, Z.; Fulton, R.

    2015-03-01

    We propose a method to compensate for six degree-of-freedom rigid motion in helical CT of the head. The method is demonstrated in simulations and in helical scans performed on a 16-slice CT scanner. Scans of a Hoffman brain phantom were acquired while an optical motion tracking system recorded the motion of the bed and the phantom. Motion correction was performed by restoring projection consistency using data from the motion tracking system, and reconstructing with an iterative fully 3D algorithm. Motion correction accuracy was evaluated by comparing reconstructed images with a stationary reference scan. We also investigated the effects on accuracy of tracker sampling rate, measurement jitter, interpolation of tracker measurements, and the synchronization of motion data and CT projections. After optimization of these aspects, motion corrected images corresponded remarkably closely to images of the stationary phantom with correlation and similarity coefficients both above 0.9. We performed a simulation study using volunteer head motion and found similarly that our method is capable of compensating effectively for realistic human head movements. To the best of our knowledge, this is the first practical demonstration of generalized rigid motion correction in helical CT. Its clinical value, which we have yet to explore, may be significant. For example it could reduce the necessity for repeat scans and resource-intensive anesthetic and sedation procedures in patient groups prone to motion, such as young children. It is not only applicable to dedicated CT imaging, but also to hybrid PET/CT and SPECT/CT, where it could also ensure an accurate CT image for lesion localization and attenuation correction of the functional image data.

  3. Computational methods estimating uncertainties for profile reconstruction in scatterometry

    NASA Astrophysics Data System (ADS)

    Gross, H.; Rathsfeld, A.; Scholze, F.; Model, R.; Bär, M.

    2008-04-01

    The solution of the inverse problem in scatterometry, i.e. the determination of periodic surface structures from light diffraction patterns, is incomplete without knowledge of the uncertainties associated with the reconstructed surface parameters. With decreasing feature sizes of lithography masks, increasing demands on metrology techniques arise. Scatterometry as a non-imaging indirect optical method is applied to periodic line-space structures in order to determine geometric parameters like side-wall angles, heights, top and bottom widths and to evaluate the quality of the manufacturing process. The numerical simulation of the diffraction process is based on the finite element solution of the Helmholtz equation. The inverse problem seeks to reconstruct the grating geometry from measured diffraction patterns. Restricting the class of gratings and the set of measurements, this inverse problem can be reformulated as a non-linear operator equation in Euclidean spaces. The operator maps the grating parameters to the efficiencies of diffracted plane wave modes. We employ a Gauss-Newton type iterative method to solve this operator equation and end up minimizing the deviation of the measured efficiency or phase shift values from the simulated ones. The reconstruction properties and the convergence of the algorithm, however, is controlled by the local conditioning of the non-linear mapping and the uncertainties of the measured efficiencies or phase shifts. In particular, the uncertainties of the reconstructed geometric parameters essentially depend on the uncertainties of the input data and can be estimated by various methods. We compare the results obtained from a Monte Carlo procedure to the estimations gained from the approximative covariance matrix of the profile parameters close to the optimal solution and apply them to EUV masks illuminated by plane waves with wavelengths in the range of 13 nm.

  4. 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

    2016-08-01

    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.

  5. Algebraic multigrid methods applied to problems in computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Mccormick, Steve; Ruge, John

    1989-01-01

    The development of algebraic multigrid (AMG) methods and their application to certain problems in structural mechanics are described with emphasis on two- and three-dimensional linear elasticity equations and the 'jacket problems' (three-dimensional beam structures). Various possible extensions of AMG are also described. The basic idea of AMG is to develop the discretization sequence based on the target matrix and not the differential equation. Therefore, the matrix is analyzed for certain dependencies that permit the proper construction of coarser matrices and attendant transfer operators. In this manner, AMG appears to be adaptable to structural analysis applications.

  6. Computer methods for ITER-like materials LIBS diagnostics

    NASA Astrophysics Data System (ADS)

    Łepek, Michał; Gąsior, Paweł

    2014-11-01

    Recent development of Laser-Induced Breakdown Spectroscopy (LIBS) caused that this method is considered as the most promising for future diagnostic applications for characterization of the deposited materials in the International Thermonuclear Experimental Reactor (ITER), which is currently under construction. In this article the basics of LIBS are shortly discussed and the software for spectra analyzing is presented. The main software function is to analyze measured spectra with respect to the certain element lines presence. Some program operation results are presented. Correct results for graphite and aluminum are obtained although identification of tungsten lines is a problem. The reason for this is low tungsten lines intensity, and thus low signal to noise ratio of the measured signal. In the second part artificial neural networks (ANNs) as the next step for LIBS spectra analyzing are proposed. The idea is focused on multilayer perceptron network (MLP) with backpropagation learning method. The potential of ANNs for data processing was proved through application in several LIBS-related domains, e.g. differentiating ancient Greek ceramics (discussed). The idea is to apply an ANN for determination of W, Al, C presence on ITER-like plasma-facing materials.

  7. Phenomenography and grounded theory as research methods in computing education research field

    NASA Astrophysics Data System (ADS)

    Kinnunen, Päivi; Simon, Beth

    2012-06-01

    This paper discusses two qualitative research methods, phenomenography and grounded theory. We introduce both methods' data collection and analysis processes and the type or results you may get at the end by using examples from computing education research. We highlight some of the similarities and differences between the aim, data collection and analysis phases and the type of resulting outcomes of these methods. We also discuss the challenges and threats the both methods may pose to the researcher. We conclude that while aimed at tackling different types of research questions, both of these methods provide computing education researchers a useful tool in their research method toolbox.

  8. Numerical computation of sapphire crystal growth using heat exchanger method

    NASA Astrophysics Data System (ADS)

    Lu, Chung-Wei; Chen, Jyh-Chen

    2001-05-01

    The finite element software FIDAP is employed to study the temperature and velocity distribution and the interface shape during a large sapphire crystal growth process using a heat exchanger method (HEM). In the present study, the energy input to the crucible by the radiation and convection inside the furnace and the energy output through the heat exchanger is modeled by the convection boundary conditions. The effects of the various growth parameters are studied. It is found that the contact angle is obtuse before the solid-melt interface touches the sidewall of the crucible. Therefore, hot spots always appear in this process. The maximum convexity decreases significantly when the cooling-zone radius (RC) increases. The maximum convexity also decreases significantly as the combined convection coefficient inside the furnace (hI) decreases.

  9. Skin Burns Degree Determined by Computer Image Processing Method

    NASA Astrophysics Data System (ADS)

    Li, Hong-yan

    In this paper a new method determining the degree of skin burns in quantities is put forward. Firstly, with Photoshop9.0 software, we analyzed the statistical character of skin burns images' histogram, and then turned the images of burned skins from RGB color space to HSV space, to analyze the transformed color histogram. Lastly through Photoshop9.0 software we get the percentage of the skin burns area. We made the mean of images' histogram,the standard deviation of color maps,and the percentage of burned areas as indicators of evaluating burns,then distributed indicators the weighted values,at last get the burned scores by summing the products of every indicator of the burns and the weighted values. From the classification of burned scores, the degree of burns can be evaluated.

  10. Property Exchange Method for Designing Computer-Based Learning Game

    NASA Astrophysics Data System (ADS)

    Umetsu, Takanobu; Hirashima, Tsukasa

    Motivation is one of the most important factors in learning. Many researchers of learning environments, therefore, pay special attention to learning games as a remarkable approach to realize highly motivated learning. However, to make a learning game is not easy task. Although there are several investigations for design methods of learning games, most of them are only proposals of guidelines for the design or characteristics that learning games should have. Therefore, developers of learning games are required to have enough knowledge and experiences regarding learning and games in order to understand the guidelines or to deal with the characteristics. Then, it is very difficult for teachers to obtain learning games fitting for their learning issues.

  11. A spectral method for the computation of propeller acoustics

    NASA Astrophysics Data System (ADS)

    Schulten, J. B. H. M.

    1987-10-01

    An analytical description of the acoustic field of a propeller in a uniform flow is derived. Instead of applying the usual Ffowcs Williams-Hawkings version of the acoustic analogy, sources are formulated on a surface enclosing the propeller and its adjacent nonlinear flow field. This approach, which avoids the laborious evaluation of quadrupole source terms, is to be considered as a generalization of the Kirchhoff-Helmholtz theorem of acoustics. By describing the fundamental solution as a spectral Fourier-Bessel decomposition, the resulting sound field is readily given the appropriate series of harmonic amplitudes. The method is validated by a comparison of numerical results with experimental data of a propeller in an acoustic wind tunnel. A good agreement in amplitude and phase is found between theory and experiment.

  12. A parallel finite-difference method for computational aerodynamics

    NASA Technical Reports Server (NTRS)

    Swisshelm, Julie M.

    1989-01-01

    A finite-difference scheme for solving complex three-dimensional aerodynamic flow on parallel-processing supercomputers is presented. The method consists of a basic flow solver with multigrid convergence acceleration, embedded grid refinements, and a zonal equation scheme. Multitasking and vectorization have been incorporated into the algorithm. Results obtained include multiprocessed flow simulations from the Cray X-MP and Cray-2. Speedups as high as 3.3 for the two-dimensional case and 3.5 for segments of the three-dimensional case have been achieved on the Cray-2. The entire solver attained a factor of 2.7 improvement over its unitasked version on the Cray-2. The performance of the parallel algorithm on each machine is analyzed.

  13. A spectral method for the computation of propeller acoustics

    NASA Astrophysics Data System (ADS)

    Schulten, J. B. H. M.

    1987-10-01

    In the present study an analytical description of the acoustic field of a propeller in a uniform flow is derived. Instead of applying the usual Ffowcs Williams-Hawkings (1969) version of the acoustic analogy, sources on a surface enclosing the propeller and its adjacent nonlinear flow field are formulated. This approach, which avoids the laborious evaluation of quadrupole source terms, is to be considered as a generalization of the Kirchhoff-Helmholtz theorem of acoustics. By describing the fundamental solution as a spectral Fourier-Bessel decomposition, the resulting sound field is readily given in the appropriate series of harmonic amplitudes. The method is validated by a comparison of numerical results with experimental data of a propeller in an acoustic wind tunnel. A good agreement, both in amplitude and phase, is found between theory and experiment.

  14. Simple and fast cosine approximation method for computer-generated hologram calculation.

    PubMed

    Nishitsuji, Takashi; Shimobaba, Tomoyoshi; Kakue, Takashi; Arai, Daisuke; Ito, Tomoyoshi

    2015-12-14

    The cosine function is a heavy computational operation in computer-generated hologram (CGH) calculation; therefore, it is implemented by substitution methods such as a look-up table. However, the computational load and required memory space of such methods are still large. In this study, we propose a simple and fast cosine function approximation method for CGH calculation. As a result, we succeeded in creating CGH with sufficient quality and made the calculation time 1.6 times as fast at maximum compared to using the look-up table of the cosine function on CPU implementation.

  15. A numerical method for computing initial conditions of Lagrangian invariant tori using the frequency map

    NASA Astrophysics Data System (ADS)

    Luque, Alejandro; Villanueva, Jordi

    2016-06-01

    We present a numerical method for computing initial conditions of Lagrangian quasi-periodic invariant tori of Hamiltonian systems and symplectic maps. Such initial conditions are found by solving, using the Newton method, a nonlinear system obtained by imposing suitable conditions on the frequency map. The basic tool is a newly developed methodology to perform the frequency analysis of a discrete quasi-periodic signal, allowing to compute frequencies and their derivatives with respect to parameters. Roughly speaking, this method consists in computing suitable weighted averages of the iterates of the signal and using the Richardson extrapolation method. The proposed approach performs with high accuracy at a moderate computational cost. We illustrate the method by considering a discrete FPU model and the vicinity of the point L4 in a RTBP.

  16. The impact of computer use on the individualization of students' learning experiences in public middle school science classrooms

    NASA Astrophysics Data System (ADS)

    Hollands, Fiona Mae

    Given the recent emphasis and significant expenditures on technology as a tool in educational reform, policymakers, educators, and taxpayers are seeking accountability in terms of evaluation of its impact. With a view to investigating how the presence of computers in the classroom has affected the process of teaching and learning, this study aims to determine whether and how computer use by public middle school students in the science classroom might facilitate the individualization of students' instructional experiences. Questionnaires from 50 middle school science teachers located in 20 Manhattan public schools were collected to provide background information on each teacher's teaching philosophy, teaching practices, attitude toward technology, technology skills, and technology use in the science classroom. Questionnaires from 673 students of these teachers provided information regarding the students' computer use and skills and addressed issues of classroom environment deemed to be indicators of individualization of instruction. A classroom observation instrument was used to quantitatively track how 191 of these students interacted and worked with peers, the teacher, and resources in the classroom. The relationships between degree of computer use and the indicators of individualization of instruction were investigated using multilevel statistics, accounting for the clustering effect caused by students being grouped together in classrooms, to provide a more reliable analysis than traditional single level, fixed effects models. Random intercept analyses allowed an investigation into the mediating effects of teacher and classroom variables on the various outcomes. An increase in computer use was found to be associated with changes in certain aspects of the learning environment: fewer but more protracted verbal interactions in the classroom; more one-on-one interactions among students and between individual students and the teacher; more time spent working

  17. Publicity and public relations

    NASA Technical Reports Server (NTRS)

    Fosha, Charles E.

    1990-01-01

    This paper addresses approaches to using publicity and public relations to meet the goals of the NASA Space Grant College. Methods universities and colleges can use to publicize space activities are presented.

  18. Computational methods for microfluidic microscopy and phase-space imaging

    NASA Astrophysics Data System (ADS)

    Pegard, Nicolas Christian Richard

    Modern optical devices are made by assembling separate components such as lenses, objectives, and cameras. Traditionally, each part is optimized separately, even though the trade-offs typically limit the performance of the system overall. This component-based approach is particularly unfit to solve the new challenges brought by modern biology: 3D imaging, in vivo environments, and high sample throughput. In the first part of this thesis, we introduce a general method to design integrated optical systems. The laws of wave propagation, the performance of available technology, as well as other design parameters are combined as constraints into a single optimization problem. The solution provides qualitative design rules to improve optical systems as well as quantitative task-specific methods to minimize loss of information. Our results have applications in optical data storage, holography, and microscopy. The second part of this dissertation presents a direct application. We propose a more efficient design for wide-field microscopy with coherent light, based on double transmission through the sample. Historically, speckle noise and aberrations caused by undesired interferences have made coherent illumination unpopular for imaging. We were able to dramatically reduce speckle noise and unwanted interferences using optimized holographic wavefront reconstruction. The resulting microscope not only yields clear coherent images with low aberration---even in thick samples---but also increases contrast and enables optical filtering and in-depth sectioning. In the third part, we develop new imaging techniques that better respond to the needs of modern biology research through implementing optical design optimization. Using a 4D phase-space distribution, we first represent the state and propagation of incoherent light. We then introduce an additional degree of freedom by putting samples in motion in a microfluidic channel, increasing image diversity. From there, we develop a

  19. Fast methods for computing scene raw signals in millimeter-wave sensor simulations

    NASA Astrophysics Data System (ADS)

    Olson, Richard F.; Reynolds, Terry M.; Satterfield, H. Dewayne

    2010-04-01

    Modern millimeter wave (mmW) radar sensor systems employ wideband transmit waveforms and efficient receiver signal processing methods for resolving accurate measurements of targets embedded in complex backgrounds. Fast Fourier Transform processing of pulse return signal samples is used to resolve range and Doppler locations, and amplitudes of scattered RF energy. Angle glint from RF scattering centers can be measured by performing monopulse arithmetic on signals resolved in both delta and sum antenna channels. Environment simulations for these sensors - including all-digital and hardware-in-the-loop (HWIL) scene generators - require fast, efficient methods for computing radar receiver input signals to support accurate simulations with acceptable execution time and computer cost. Although all-digital and HWIL simulations differ in their representations of the radar sensor (which is itself a simulation in the all-digital case), the signal computations for mmW scene modeling are closely related for both types. Engineers at the U.S. Army Aviation and Missile Research, Development and Engineering Center (AMRDEC) have developed various fast methods for computing mmW scene raw signals to support both HWIL scene projection and all-digital receiver model input signal synthesis. These methods range from high level methods of decomposing radar scenes for accurate application of spatially-dependent nonlinear scatterer phase history, to low-level methods of efficiently computing individual scatterer complex signals and single precision transcendental functions. The efficiencies of these computations are intimately tied to math and memory resources provided by computer architectures. The paper concludes with a summary of radar scene computing performance on available computer architectures, and an estimate of future growth potential for this computational performance.

  20. Efficient computational methods to study new and innovative signal detection techniques in SETI

    NASA Technical Reports Server (NTRS)

    Deans, Stanley R.

    1991-01-01

    The purpose of the research reported here is to provide a rapid computational method for computing various statistical parameters associated with overlapped Hann spectra. These results are important for the Targeted Search part of the Search for ExtraTerrestrial Intelligence (SETI) Microwave Observing Project.