A computational method for drug repositioning using publicly available gene expression data
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
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
Computers in Public Education Study.
ERIC Educational Resources Information Center
HBJ Enterprises, Highland Park, NJ.
This survey conducted for the National Institute of Education reports the use of computers in U.S. public schools in the areas of instructional computing, student accounting, management of educational resources, research, guidance, testing, and library applications. From a stratified random sample of 1800 schools in varying geographic areas and…
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.
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…
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…
Publication Bias in Methodological Computational Research
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
Public Databases Supporting Computational Toxicology
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...
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.
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…
Public access computing in health science libraries.
Kehm, S
1987-01-01
Public access computing in health science libraries began with online computer-assisted instruction. Library-based collections and services have expanded with advances in microcomputing hardware and software. This growth presents problems: copyright, quality, instability in the publishing industry, and uncertainty about collection scope; librarians managing the new services require new skills to support their collections. Many find the cooperative efforts of several organizational units are required. Current trends in technology for the purpose of information management indicate that these services will continue to be a significant focus for libraries.
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...
Public databases of plant natural products for computational drug discovery.
Tung, Chun-Wei
2014-01-01
Plant natural products have been intensively investigated during the past decades with a considerable amount of generated data. Databases are subsequently developed to facilitate the management and analysis of accumulated information including plant species, chemical compounds, structures and bioactivities. With the support of databases, the screening of novel bioactivities for plant natural products can benefit from advanced computational methods to accelerate the progress of drug discovery. This overview describes the contents of publicly available databases useful for computational research of plant natural products. Based on the databases, quantitative structure-activity relationship models and protein-ligand docking methods can be developed and applied to analyze and screen bioactive compounds. More public and structured databases with unique contents, search functions and links to major databases are needed for efficiently exploring the chemical space of plant natural products.
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.
Computational Methods in Drug Discovery
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
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.
Computational methods in drug discovery
Leelananda, Sumudu P
2016-01-01
The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein–ligand docking, pharmacophore modeling and QSAR techniques are reviewed. PMID:28144341
Computational methods in drug discovery.
Leelananda, Sumudu P; Lindert, Steffen
2016-01-01
The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein-ligand docking, pharmacophore modeling and QSAR techniques are reviewed.
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 AGENCY: Food and Drug Administration, HHS. ACTION: Notice of public conference. SUMMARY: The Food and... and Quality Assessment, Working Group 2: Reducing Risk Within the Inspection Site Selection...
Computer Usage by Speech-Language Pathologists in Public Schools.
ERIC Educational Resources Information Center
Houle, Gail Ruppert
1988-01-01
Investigation of factors influencing public school speech-language pathologists' acceptance and/or resistance to computer technology found differences between frequent computer users and rare users which were attributed to differences in attitudes toward computers, available funding for computers, in-service training, and physical facilities.…
Beyond Theory: Improving Public Relations Writing through Computer Technology.
ERIC Educational Resources Information Center
Neff, Bonita Dostal
Computer technology (primarily word processing) enables the student of public relations writing to improve the writing process through increased flexibility in writing, enhanced creativity, increased support of management skills and team work. A new instructional model for computer use in public relations courses at Purdue University Calumet…
Computational methods for stellerator configurations
Betancourt, O.
1992-01-01
This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings.
Geometric methods in quantum computation
NASA Astrophysics Data System (ADS)
Zhang, Jun
Recent advances in the physical sciences and engineering have created great hopes for new computational paradigms and substrates. One such new approach is the quantum computer, which holds the promise of enhanced computational power. Analogous to the way a classical computer is built from electrical circuits containing wires and logic gates, a quantum computer is built from quantum circuits containing quantum wires and elementary quantum gates to transport and manipulate quantum information. Therefore, design of quantum gates and quantum circuits is a prerequisite for any real application of quantum computation. In this dissertation we apply geometric control methods from differential geometry and Lie group representation theory to analyze the properties of quantum gates and to design optimal quantum circuits. Using the Cartan decomposition and the Weyl group, we show that the geometric structure of nonlocal two-qubit gates is a 3-Torus. After further reducing the symmetry, the geometric representation of nonlocal gates is seen to be conveniently visualized as a tetrahedron. Each point in this tetrahedron except on the base corresponds to a different equivalent class of nonlocal gates. This geometric representation is one of the cornerstones for the discussion on quantum computation in this dissertation. We investigate the properties of those two-qubit operations that can generate maximal entanglement. It is an astonishing finding that if we randomly choose a two-qubit operation, the probability that we obtain a perfect entangler is exactly one half. We prove that given a two-body interaction Hamiltonian, it is always possible to explicitly construct a quantum circuit for exact simulation of any arbitrary nonlocal two-qubit gate by turning on the two-body interaction for at most three times, together with at most four local gates. We also provide an analytic approach to construct a universal quantum circuit from any entangling gate supplemented with local gates
Computer Literacy in the Public Schools.
ERIC Educational Resources Information Center
Ediger, Marlow
In school districts throughout the country, computer literacy is considered a top educational goal, however, too few administrators, teachers, and parents understand what the term really means. The computer plays two roles in schools: information resource--as a complement to books, magazines, video, and other media; and self-contained teaching…
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 80.771 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES STATIONS IN THE MARITIME SERVICES Standards for Computing Public Coast Station VHF Coverage § 80.771...
Computational Methods in Continuum Mechanics
1993-11-30
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Systems Science Methods in Public Health
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
Computational methods for image reconstruction.
Chung, Julianne; Ruthotto, Lars
2017-04-01
Reconstructing images from indirect measurements is a central problem in many applications, including the subject of this special issue, quantitative susceptibility mapping (QSM). The process of image reconstruction typically requires solving an inverse problem that is ill-posed and large-scale and thus challenging to solve. Although the research field of inverse problems is thriving and very active with diverse applications, in this part of the special issue we will focus on recent advances in inverse problems that are specific to deconvolution problems, the class of problems to which QSM belongs. We will describe analytic tools that can be used to investigate underlying ill-posedness and apply them to the QSM reconstruction problem and the related extensively studied image deblurring problem. We will discuss state-of-the-art computational tools and methods for image reconstruction, including regularization approaches and regularization parameter selection methods. We finish by outlining some of the current trends and future challenges. Copyright © 2016 John Wiley & Sons, Ltd.
Computer-Assisted Management of Instruction in Veterinary Public Health
ERIC Educational Resources Information Center
Holt, Elsbeth; And Others
1975-01-01
Reviews a course in Food Hygiene and Public Health at the University of Illinois College of Veterinary Medicine in which students are sequenced through a series of computer-based lessons or autotutorial slide-tape lessons, the computer also being used to route, test, and keep records. Since grades indicated mastery of the subject, the course will…
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…
Models for a National Public School Computing Network.
ERIC Educational Resources Information Center
Bull, Glen L.; And Others
1993-01-01
Discusses a possible national education computer network that would include elementary, secondary, and higher education institutions. Topics addressed include Internet; common standards; distributed computing; open access; equity concerns; and examples of two successful public school networks in Virginia and Texas that are linked through the…
Testing and Validation of Computational Methods for Mass Spectrometry.
Gatto, Laurent; Hansen, Kasper D; Hoopmann, Michael R; Hermjakob, Henning; Kohlbacher, Oliver; Beyer, Andreas
2016-03-04
High-throughput methods based on mass spectrometry (proteomics, metabolomics, lipidomics, etc.) produce a wealth of data that cannot be analyzed without computational methods. The impact of the choice of method on the overall result of a biological study is often underappreciated, but different methods can result in very different biological findings. It is thus essential to evaluate and compare the correctness and relative performance of computational methods. The volume of the data as well as the complexity of the algorithms render unbiased comparisons challenging. This paper discusses some problems and challenges in testing and validation of computational methods. We discuss the different types of data (simulated and experimental validation data) as well as different metrics to compare methods. We also introduce a new public repository for mass spectrometric reference data sets ( http://compms.org/RefData ) that contains a collection of publicly available data sets for performance evaluation for a wide range of different methods.
Wildlife software: procedures for publication of computer software
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.
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…
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…
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…
COMPUTATIONAL METHODS FOR ASYNCHRONOUS BASINS
Dinwoodie, Ian H
2016-01-01
For a Boolean network we consider asynchronous updates and define the exclusive asynchronous basin of attraction for any steady state or cyclic attractor. An algorithm based on commutative algebra is presented to compute the exclusive basin. Finally its use for targeting desirable attractors by selective intervention on network nodes is illustrated with two examples, one cell signalling network and one sensor network measuring human mobility. PMID:28154501
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…
Computer-Based Test Interpretation and the Public Interest.
ERIC Educational Resources Information Center
Mitchell, James V., Jr.
Computer-based test interpretation (CBTI) is discussed in terms of its potential dangers to the public interest, problems with professional review of CBTI systems, and needed policies for these systems. Several problems with CBTI systems are outlined: (1) they may be nicely packaged, but it is difficult to establish their value; (2) they do not…
Multiprocessor computer overset grid method and apparatus
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.
Computational Methods for Biomolecular Electrostatics
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
How the role of computing is driving new genetics' public policy.
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.
Method for Tracking Core-Contributed Publications
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
Computational methods in radionuclide dosimetry
NASA Astrophysics Data System (ADS)
Bardiès, M.; Myers, M. J.
1996-10-01
The various approaches in radionuclide dosimetry depend on the size and spatial relation of the sources and targets considered in conjunction with the emission range of the radionuclide used. We present some of the frequently reported computational techniques on the basis of the source/target size. For whole organs, or for sources or targets bigger than some centimetres, the acknowledged standard was introduced 30 years ago by the MIRD committee and is still being updated. That approach, based on the absorbed fraction concept, is mainly used for radioprotection purposes but has been updated to take into account the dosimetric challenge raised by therapeutic use of vectored radiopharmaceuticals. At this level, the most important computational effort is in the field of photon dosimetry. On the millimetre scale, photons can often be disregarded, and or electron dosimetry is generally reported. Heterogeneities at this level are mainly above the cell level, involving groups of cell or a part of an organ. The dose distribution pattern is often calculated by generalizing a point source dose distribution, but direct calculation by Monte Carlo techniques is also frequently reported because it allows media of inhomogeneous density to be considered. At the cell level, and electron (low-range or Auger) are the predominant emissions examined. Heterogeneities in the dose distribution are taken into account, mainly to determine the mean dose at the nucleus. At the DNA level, Auger electrons or -particles are considered from a microdosimetric point of view. These studies are often connected with radiobiological experiments on radionuclide toxicity.
Computational and theoretical methods for protein folding.
Compiani, Mario; Capriotti, Emidio
2013-12-03
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.
A Method to Compute Periodic Sums
2013-10-15
A method to compute periodic sums Nail A. Gumerov∗ and Ramani Duraiswami† Institute for Advanced Computer Studies University of Maryland, College...fast summa- tion algorithms, such as the fast multipole method (FMM), the periodized extension is usually treated via a different algorithm, Ewald...summation algorithm is presented in this paper. The method splits the periodized sum in to two parts. The first, comprising the contribution of all
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
Simulation methods for advanced scientific computing
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.
[Computer-assisted control of a public health inventory].
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.
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...
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...
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...
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...
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...
Computational Methods Applied to Rational Drug Design.
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.
Computational Methods Applied to Rational Drug Design
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
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
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.
Distributed sequence alignment applications for the public computing architecture.
Pellicer, S; Chen, G; Chan, K C C; Pan, Y
2008-03-01
The public computer architecture shows promise as a platform for solving fundamental problems in bioinformatics such as global gene sequence alignment and data mining with tools such as the basic local alignment search tool (BLAST). Our implementation of these two problems on the Berkeley open infrastructure for network computing (BOINC) platform demonstrates a runtime reduction factor of 1.15 for sequence alignment and 16.76 for BLAST. While the runtime reduction factor of the global gene sequence alignment application is modest, this value is based on a theoretical sequential runtime extrapolated from the calculation of a smaller problem. Because this runtime is extrapolated from running the calculation in memory, the theoretical sequential runtime would require 37.3 GB of memory on a single system. With this in mind, the BOINC implementation not only offers the reduced runtime, but also the aggregation of the available memory of all participant nodes. If an actual sequential run of the problem were compared, a more drastic reduction in the runtime would be seen due to an additional secondary storage I/O overhead for a practical system. Despite the limitations of the public computer architecture, most notably in communication overhead, it represents a practical platform for grid- and cluster-scale bioinformatics computations today and shows great potential for future implementations.
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.
Methods of computing Campbell-Hausdorff formula
NASA Astrophysics Data System (ADS)
Sogo, Kiyoshi
2016-11-01
A new method computing Campbell-Hausdorff formula is proposed by using quantum moment-cumulant relations, which is given by Weyl ordering symmetrization of classical moment-cumulant relations. The method enables one to readily use symbolic language software to compute arbitrary terms in the formula, and explicit expressions up to the 6-th order are obtained by the way of illustration. Further the symmetry Codd(A, B) = Codd(B, A), Ceven(A, B) = - Ceven(B, A) is found and proved. The operator differential method by Knapp is also examined for the comparison.
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.
Computing discharge using the index velocity method
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
Method and system for benchmarking computers
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.
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...
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.
Referees often miss obvious errors in computer and electronic publications.
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.
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).
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.
ERIC Educational Resources Information Center
Zuniga, Ramiro
2009-01-01
Since the introduction of computers into the public school arena over forty years ago, educators have been convinced that the integration of computer technology into the public school classroom will transform education. Joining educators are state and federal governments. Public schools and others involved in the process of computer technology…
An Efficient Method for Computing All Reducts
NASA Astrophysics Data System (ADS)
Bao, Yongguang; Du, Xiaoyong; Deng, Mingrong; Ishii, Naohiro
In the process of data mining of decision table using Rough Sets methodology, the main computational effort is associated with the determination of the reducts. Computing all reducts is a combinatorial NP-hard computational problem. Therefore the only way to achieve its faster execution is by providing an algorithm, with a better constant factor, which may solve this problem in reasonable time for real-life data sets. The purpose of this presentation is to propose two new efficient algorithms to compute reducts in information systems. The proposed algorithms are based on the proposition of reduct and the relation between the reduct and discernibility matrix. Experiments have been conducted on some real world domains in execution time. The results show it improves the execution time when compared with the other methods. In real application, we can combine the two proposed algorithms.
47 CFR 61.14 - Method of filing publications.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 47 Telecommunication 3 2012-10-01 2012-10-01 false Method of filing publications. 61.14 Section 61...) TARIFFS Rules for Electronic Filing § 61.14 Method of filing publications. (a) Publications filed... date of a publication received by the Electronic Tariff Filing System will be determined by the...
47 CFR 61.14 - Method of filing publications.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 47 Telecommunication 3 2010-10-01 2010-10-01 false Method of filing publications. 61.14 Section 61...) TARIFFS Rules for Electronic Filing § 61.14 Method of filing publications. (a) Publications filed... date of a publication received by the Electronic Tariff Filing System will be determined by the...
47 CFR 61.14 - Method of filing publications.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 47 Telecommunication 3 2014-10-01 2014-10-01 false Method of filing publications. 61.14 Section 61...) TARIFFS Rules for Electronic Filing § 61.14 Method of filing publications. (a) Publications filed... date of a publication received by the Electronic Tariff Filing System will be determined by the...
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.
Accurate method for computing correlated color temperature.
Li, Changjun; Cui, Guihua; Melgosa, Manuel; Ruan, Xiukai; Zhang, Yaoju; Ma, Long; Xiao, Kaida; Luo, M Ronnier
2016-06-27
For the correlated color temperature (CCT) of a light source to be estimated, a nonlinear optimization problem must be solved. In all previous methods available to compute CCT, the objective function has only been approximated, and their predictions have achieved limited accuracy. For example, different unacceptable CCT values have been predicted for light sources located on the same isotemperature line. In this paper, we propose to compute CCT using the Newton method, which requires the first and second derivatives of the objective function. Following the current recommendation by the International Commission on Illumination (CIE) for the computation of tristimulus values (summations at 1 nm steps from 360 nm to 830 nm), the objective function and its first and second derivatives are explicitly given and used in our computations. Comprehensive tests demonstrate that the proposed method, together with an initial estimation of CCT using Robertson's method [J. Opt. Soc. Am. 58, 1528-1535 (1968)], gives highly accurate predictions below 0.0012 K for light sources with CCTs ranging from 500 K to 10^{6} K.
Efficient Methods to Compute Genomic Predictions
Technology Transfer Automated Retrieval System (TEKTRAN)
Efficient methods for processing genomic data were developed to increase reliability of estimated breeding values and simultaneously estimate thousands of marker effects. Algorithms were derived and computer programs tested on simulated data for 50,000 markers and 2,967 bulls. Accurate estimates of ...
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…
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.
Computational Thermochemistry and Benchmarking of Reliable Methods
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.
Shifted power method for computing tensor eigenpairs.
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.
Computational Methods for MOF/Polymer Membranes.
Erucar, Ilknur; Keskin, Seda
2016-04-01
Metal-organic framework (MOF)/polymer mixed matrix membranes (MMMs) have received significant interest in the last decade. MOFs are incorporated into polymers to make MMMs that exhibit improved gas permeability and selectivity compared with pure polymer membranes. The fundamental challenge in this area is to choose the appropriate MOF/polymer combinations for a gas separation of interest. Even if a single polymer is considered, there are thousands of MOFs that could potentially be used as fillers in MMMs. As a result, there has been a large demand for computational studies that can accurately predict the gas separation performance of MOF/polymer MMMs prior to experiments. We have developed computational approaches to assess gas separation potentials of MOF/polymer MMMs and used them to identify the most promising MOF/polymer pairs. In this Personal Account, we aim to provide a critical overview of current computational methods for modeling MOF/polymer MMMs. We give our perspective on the background, successes, and failures that led to developments in this area and discuss the opportunities and challenges of using computational methods for MOF/polymer MMMs.
Parallel computer methods for eigenvalue extraction
NASA Technical Reports Server (NTRS)
Akl, Fred
1988-01-01
A new numerical algorithm for the solution of large-order eigenproblems typically encountered in linear elastic finite element systems is presented. The architecture of parallel processing is used in the algorithm to achieve increased speed and efficiency of calculations. The algorithm is based on the frontal technique for the solution of linear simultaneous equations and the modified subspace eigenanalysis method for the solution of the eigenproblem. The advantages of this new algorithm in parallel computer architecture are discussed.
47 CFR 61.20 - Method of filing publications.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 47 Telecommunication 3 2014-10-01 2014-10-01 false Method of filing publications. 61.20 Section 61...) TARIFFS General Rules for Nondominant Carriers § 61.20 Method of filing publications. (a) All issuing carriers that file tariffs shall file all tariff publications and associated documents, such as...
47 CFR 61.20 - Method of filing publications.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 47 Telecommunication 3 2012-10-01 2012-10-01 false Method of filing publications. 61.20 Section 61...) TARIFFS General Rules for Nondominant Carriers § 61.20 Method of filing publications. (a) All issuing carriers that file tariffs shall file all tariff publications and associated documents, such as...
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.
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...
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...
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...
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...
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...
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.
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
Soft Computing Methods for Disulfide Connectivity Prediction
Márquez-Chamorro, Alfonso E.; Aguilar-Ruiz, Jesús S.
2015-01-01
The problem of protein structure prediction (PSP) is one of the main challenges in structural bioinformatics. To tackle this problem, PSP can be divided into several subproblems. One of these subproblems is the prediction of disulfide bonds. The disulfide connectivity prediction problem consists in identifying which nonadjacent cysteines would be cross-linked from all possible candidates. Determining the disulfide bond connectivity between the cysteines of a protein is desirable as a previous step of the 3D PSP, as the protein conformational search space is highly reduced. The most representative soft computing approaches for the disulfide bonds connectivity prediction problem of the last decade are summarized in this paper. Certain aspects, such as the different methodologies based on soft computing approaches (artificial neural network or support vector machine) or features of the algorithms, are used for the classification of these methods. PMID:26523116
Computational Statistical Methods for Social Network Models
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
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.
Computational methods for remote homolog identification.
Wan, Xiu-Feng; Xu, Dong
2005-12-01
As more and more protein sequences are available, homolog identification becomes increasingly important for functional, structural, and evolutional studies of proteins. Many homologous proteins were separated a very long time ago in their evolutionary history and thus their sequences share low sequence identity. These remote homologs have become a research focus in bioinformatics over the past decade, and some significant advances have been achieved. In this paper, we provide a comprehensive review on computational techniques used in remote homolog identification based on different methods, including sequence-sequence comparison, and sequence-structure comparison, and structure-structure comparison. Other miscellaneous approaches are also summarized. Pointers to the online resources of these methods and their related databases are provided. Comparisons among different methods in terms of their technical approaches, their strengths, and limitations are followed. Studies on proteins in SARS-CoV are shown as an example for remote homolog identification application.
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.
High-Order Methods for Computational Physics
1999-03-01
the finite element space Vh such that Vj= 1,...,N: Rh( p )(xj,t) - p (Xýj,t) = 0, £ = 0,..., k, (2.34) where the points xj,t are the Gauss- Radau ...element refinement (h- p refinement). In computational fluid dynamics, high-order discretization methods are infrequently used in the com- putation of...work with Shu). The articles of Dr. Henderson and Professor Schwab consider the mathematical formulation and implementa- tion of the h- p finite element
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…
Comparison of Methods of Height Anomaly Computation
NASA Astrophysics Data System (ADS)
Mazurova, E.; Lapshin, A.; Menshova, A.
2012-04-01
As of today, accurate determination of height anomaly is one of the most difficult problems of geodesy, even with sustainable perfection of mathematical methods, computer possibilities. The most effective methods of height anomaly computation are based on the methods of discrete linear transformations, such as the Fast Fourier Transform (FFT), Short-Time Fourier Transform (STFT), Fast Wavelet Transform (FWT). The main drawback of the classical FFT is weak localization in the time domain. If it is necessary to define the time interval of a frequency presence the STFT is used that allows one to detect the presence of any frequency signal and the interval of its presence. It expands the possibilities of the method in comparison with the classical Fourier Transform. However, subject to Heisenberg's uncertainty principle, it is impossible to tell precisely what frequency signal is present at a given moment of time (it is possible to speak only about the range of frequencies); and it is impossible to tell at what precisely moment of time the frequency signal is present (it is possible to speak only about a time span). A wavelet-transform gives the chance to reduce the influence of the Heisenberg's uncertainty principle on the obtained time-and-frequency representation of the signal. With its help low frequencies have more detailed representation relative to the time, and high frequencies - relative to the frequency. The paper summarizes the results of height anomaly calculations done by the FFT, STFT, FWT methods and represents 3-D models of calculation results. Key words: Fast Fourier Transform(FFT), Short-Time Fourier Transform (STFT), Fast Wavelet Transform(FWT), Heisenberg's uncertainty principle.
Computer-Aided Drug Design Methods.
Yu, Wenbo; MacKerell, Alexander D
2017-01-01
Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design (CADD) approaches in existence. SBDD methods analyze macromolecular target 3-dimensional structural information, typically of proteins or RNA, to identify key sites and interactions that are important for their respective biological functions. Such information can then be utilized to design antibiotic drugs that can compete with essential interactions involving the target and thus interrupt the biological pathways essential for survival of the microorganism(s). LBDD methods focus on known antibiotic ligands for a target to establish a relationship between their physiochemical properties and antibiotic activities, referred to as a structure-activity relationship (SAR), information that can be used for optimization of known drugs or guide the design of new drugs with improved activity. In this chapter, standard CADD protocols for both SBDD and LBDD will be presented with a special focus on methodologies and targets routinely studied in our laboratory for antibiotic drug discoveries.
A new spectral method to compute FCN
NASA Astrophysics Data System (ADS)
Zhang, M.; Huang, C. L.
2014-12-01
Free core nutation (FCN) is a rotational modes of the earth with fluid core. All traditional theoretical methods produce FCN period near 460 days with PREM, while the precise observations (VLBI + SG tides) say it should be near 430 days. In order to fill this big gap, astronomers and geophysicists give various assumptions, e.g., increasing core-mantle-boundary (CMB) flattening by about 5%, a strong coupling between nutation and geomagnetic field near CMB, viscous coupling, or topographical coupling etc. Do we really need these unproved assumptions? or is it only the problem of these traditional theoretical methods themselves? Earth models (e.g. PREM) provide accurate and robust profiles of physical parameters, like density and Lame parameters, but their radial derivatives, which are also used in all traditional methods to calculate normal modes (e.g.. FCN), nutation and tides of non-rigid earth theoretically, are not so trustable as the parameters themselves. A new multiple layer spectral method is proposed and applied to the computation of normal modes, to avoid these problems. This new method can solve not only one order ellipsoid but also irregular asymmetric 3D earth model. Our primary result of the FCN period is 435 sidereal days.
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)
Computational methods for optical molecular imaging
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
A computational method for sharp interface advection
Bredmose, Henrik; Jasak, Hrvoje
2016-01-01
We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face–interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM® extension and is published as open source. PMID:28018619
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
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.
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.
Modules and methods for all photonic computing
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.
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.
Radiological Protection in Cone Beam Computed Tomography (CBCT). ICRP Publication 129.
Rehani, M M; Gupta, R; Bartling, S; Sharp, G C; Pauwels, R; Berris, T; Boone, J M
2015-07-01
The objective of this publication is to provide guidance on radiological protection in the new technology of cone beam computed tomography (CBCT). Publications 87 and 102 dealt with patient dose management in computed tomography (CT) and multi-detector CT. The new applications of CBCT and the associated radiological protection issues are substantially different from those of conventional CT. The perception that CBCT involves lower doses was only true in initial applications. CBCT is now used widely by specialists who have little or no training in radiological protection. This publication provides recommendations on radiation dose management directed at different stakeholders, and covers principles of radiological protection, training, and quality assurance aspects. Advice on appropriate use of CBCT needs to be made widely available. Advice on optimisation of protection when using CBCT equipment needs to be strengthened, particularly with respect to the use of newer features of the equipment. Manufacturers should standardise radiation dose displays on CBCT equipment to assist users in optimisation of protection and comparisons of performance. Additional challenges to radiological protection are introduced when CBCT-capable equipment is used for both fluoroscopy and tomography during the same procedure. Standardised methods need to be established for tracking and reporting of patient radiation doses from these procedures. The recommendations provided in this publication may evolve in the future as CBCT equipment and applications evolve. As with previous ICRP publications, the Commission hopes that imaging professionals, medical physicists, and manufacturers will use the guidelines and recommendations provided in this publication for implementation of the Commission's principle of optimisation of protection of patients and medical workers, with the objective of keeping exposures as low as reasonably achievable, taking into account economic and societal factors, and
User's guide to SAC, a computer program for computing discharge by slope-area method
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.
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,…
Saving lives: a computer simulation game for public education about emergencies
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.
Computational Studies of Protein Hydration Methods
NASA Astrophysics Data System (ADS)
Morozenko, Aleksandr
It is widely appreciated that water plays a vital role in proteins' functions. The long-range proton transfer inside proteins is usually carried out by the Grotthuss mechanism and requires a chain of hydrogen bonds that is composed of internal water molecules and amino acid residues of the protein. In other cases, water molecules can facilitate the enzymes catalytic reactions by becoming a temporary proton donor/acceptor. Yet a reliable way of predicting water protein interior is still not available to the biophysics community. This thesis presents computational studies that have been performed to gain insights into the problems of fast and accurate prediction of potential water sites inside internal cavities of protein. Specifically, we focus on the task of attainment of correspondence between results obtained from computational experiments and experimental data available from X-ray structures. An overview of existing methods of predicting water molecules in the interior of a protein along with a discussion of the trustworthiness of these predictions is a second major subject of this thesis. A description of differences of water molecules in various media, particularly, gas, liquid and protein interior, and theoretical aspects of designing an adequate model of water for the protein environment are widely discussed in chapters 3 and 4. In chapter 5, we discuss recently developed methods of placement of water molecules into internal cavities of a protein. We propose a new methodology based on the principle of docking water molecules to a protein body which allows to achieve a higher degree of matching experimental data reported in protein crystal structures than other techniques available in the world of biophysical software. The new methodology is tested on a set of high-resolution crystal structures of oligopeptide-binding protein (OppA) containing a large number of resolved internal water molecules and applied to bovine heart cytochrome c oxidase in the fully
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)
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...
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...
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....
Computational and design methods for advanced imaging
NASA Astrophysics Data System (ADS)
Birch, Gabriel C.
This dissertation merges the optical design and computational aspects of imaging systems to create novel devices that solve engineering problems in optical science and attempts to expand the solution space available to the optical designer. This dissertation is divided into two parts: the first discusses a new active illumination depth sensing modality, while the second part discusses a passive illumination system called plenoptic, or lightfield, imaging. The new depth sensing modality introduced in part one is called depth through controlled aberration. This technique illuminates a target with a known, aberrated projected pattern and takes an image using a traditional, unmodified imaging system. Knowing how the added aberration in the projected pattern changes as a function of depth, we are able to quantitatively determine depth of a series of points from the camera. A major advantage this method permits is the ability for illumination and imaging axes to be coincident. Plenoptic cameras capture both spatial and angular data simultaneously. This dissertation present a new set of parameters that permit the design and comparison of plenoptic devices outside the traditionally published plenoptic 1.0 and plenoptic 2.0 configurations. Additionally, a series of engineering advancements are presented, including full system raytraces of raw plenoptic images, Zernike compression techniques of raw image files, and non-uniform lenslet arrays to compensate for plenoptic system aberrations. Finally, a new snapshot imaging spectrometer is proposed based off the plenoptic configuration.
EPA National Center for Computational Toxicology UPDATE (ICCVAM public forum)
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.
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…
Network analysis in public health: history, methods, and applications.
Luke, Douglas A; Harris, Jenine K
2007-01-01
Network analysis is an approach to research that is uniquely suited to describing, exploring, and understanding structural and relational aspects of health. It is both a methodological tool and a theoretical paradigm that allows us to pose and answer important ecological questions in public health. In this review we trace the history of network analysis, provide a methodological overview of network techniques, and discuss where and how network analysis has been used in public health. We show how network analysis has its roots in mathematics, statistics, sociology, anthropology, psychology, biology, physics, and computer science. In public health, network analysis has been used to study primarily disease transmission, especially for HIV/AIDS and other sexually transmitted diseases; information transmission, particularly for diffusion of innovations; the role of social support and social capital; the influence of personal and social networks on health behavior; and the interorganizational structure of health systems. We conclude with future directions for network analysis in public health.
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...
Excellence in Computational Biology and Informatics — EDRN Public Portal
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
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…
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.
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…
Novel Techniques for Secure Use of Public Cloud Computing Resources
2015-09-17
SIGCOMM Computer Communication Review, volume 43, 513–514. ACM, 2013. [61] Jeong, Ik Rae and Jeong Ok Kwon. “Analysis of some keyword search schemes in...Government’s Information Infrastruc- ture”, 1993. URL http://govinfo.library.unt.edu/npr/library/reports/it09.html. [92] Rhee, Hyun Sook, Ik Rae Jeong
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)
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.
Parallel computation with the spectral element method
Ma, Hong
1995-12-01
Spectral element models for the shallow water equations and the Navier-Stokes equations have been successfully implemented on a data parallel supercomputer, the Connection Machine model CM-5. The nonstaggered grid formulations for both models are described, which are shown to be especially efficient in data parallel computing environment.
Methods and Applications in Computational Protein Design
2010-09-01
organophosphates including pesticides and chemical warfare agents. Second, we introduce BroMAP/A*, an exhaustive branch-and-bound search technique with...8217\\oJ)I’-’ ... 2u.QJ.w.JO.~~I_J;i§h s reserved . Author ... .... . .. . . . .. . . . THI S MATERIAL HAS BEE N CLEARED FOR PUBLIC RELEASE BY 66...technique on a subset of degradation-prone amino acids in phosphotriesterase, an enzyme that hydrolyzes toxic organophosphates including pesticides
Computational Methods for Design, Control and Optimization
2007-10-01
34scenario" that applies to channel flows ( Poiseuille flows , Couette flow ) and pipe flows . Over the past 75 years many complex "transition theories" have... Simulation of Turbulent Flows , Springer Verlag, 2005. Additional Publications Supported by this Grant 1. J. Borggaard and T. Iliescu, Approximate Deconvolution...rigorous analysis of design algorithms that combine numerical simulation codes, approximate sensitivity calculations and optimization codes. The fundamental
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.
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…
ERIC Educational Resources Information Center
Manjarrez, Carlos A.; Schoembs, Kyle
2011-01-01
Over the past decade, policy discussions about public access computing in libraries have focused on the role that these institutions play in bridging the digital divide. In these discussions, public access computing services are generally targeted at individuals who either cannot afford a computer and Internet access, or have never received formal…
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.
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.
Lee, Kunsei; Kim, Hyun Joo; You, Myoungsoon; Lee, Jin-Seok; Eun, Sang Jun; Jeong, Hyoseon; Ahn, Hye Mi; Lee, Jin Yong
2017-03-01
This study aims to identify which activities of a public community hospital (PHC) should be included in their definition of publicness and tries to achieve a consensus among experts using the Delphi method. We conduct 2 rounds of the Delphi process with 17 panel members using a developed draft of tentative activities for publicness including 5 main categories covering 27 items. The questions remain the same in both rounds and the applicability of each of the 27 items to publicness is measured on a 9-point scale. If the participants believe government funding is needed, we ask how much they think the government should support each item on a 0% to 100% scale. After conducting 2 rounds of the Delphi process, 22 out of the 27 items reached a consensus as activities defining the publicness of the PHCs. Among the 5 major categories, in category C, activities preventing market failure, all 10 items were considered activities of publicness. Nine of these were evaluated as items that should be compensated at 100% of total financial loss by the Korean government. Throughout results, we were able to define the activities of the PCH that encompassed its publicness and confirm that there are "good deficits" in the context of the PCHs. Thus, some PCH deficits are unavoidable and not wasted as these monies support a necessary role and function in providing public health. The Korean government should therefore consider taking actions such as exempting such "good deficits" or providing additional financial aid to reimburse the PHCs for "good deficits."
Ecological validity and the study of publics: The case for organic public engagement methods.
Gehrke, Pat J
2014-01-01
This essay argues for a method of public engagement grounded in the criteria of ecological validity. Motivated by what Hammersly called the responsibility that comes with intellectual authority: "to seek, as far as possible, to ensure the validity of their conclusions and to participate in rational debate about those conclusions" (1993: 29), organic public engagement follows the empirical turn in citizenship theory and in rhetorical studies of actually existing publics. Rather than shaping citizens into either the compliant subjects of the cynical view or the deliberatively disciplined subjects of the idealist view, organic public engagement instead takes Asen's advice that "we should ask: how do people enact citizenship?" (2004: 191). In short, organic engagement methods engage publics in the places where they already exist and through those discourses and social practices by which they enact their status as publics. Such engagements can generate practical middle-range theories that facilitate future actions and decisions that are attentive to the local ecologies of diverse publics.
Soft computing methods in design of superalloys
NASA Technical Reports Server (NTRS)
Cios, K. J.; Berke, L.; Vary, A.; Sharma, S.
1995-01-01
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 modeled 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.
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.
ERIC Educational Resources Information Center
Hoge, John Douglas
This paper provides participant observations regarding the use of computer and broadcast television technology at a suburban public elementary school in Athens, Georgia during the 1995-1996 school year. The paper describes the hardware and software available in the school, and the use and misuse of computers and broadcast television in the…
Small Towns and Small Computers: Can a Match Be Made? A Public Policy Seminar.
ERIC Educational Resources Information Center
National Association of Towns and Townships, Washington, DC.
A public policy seminar discussed how to match small towns and small computers. James K. Coyne, Special Assistant to the President and Director of the White House Office of Private Sector Initiatives, offered opening remarks and described a database system developed by his office to link organizations and communities with small computers to…
Precision Communication: Interactive Computer Applications in Data-Based Public Relations Programs.
ERIC Educational Resources Information Center
Kalupa, Frank B.; Trotter, Edgar P.
To develop research capabilities among public relations professionals, a research teaching program was begun as part of an advanced undergraduate course using an online computer terminal system to analyze up-to-date field survey data. Students use an interactive computer program designed to provide a linking system of live research data and active…
Computer Literacy in Public Education: Implications for Libraries and Librarians/Media Specialists.
ERIC Educational Resources Information Center
Geib, Jerry H. E.
In order to study the concept of computer literacy and its implications for education, a review was made of the relevant professional, trade, and technical literature, with emphasis on information printed from 1978 to the present which highlights the development, growth, and present status of computer literacy in public schools. Recent…
On the privacy problems involved in allowing access to computers via the public telephone system
NASA Astrophysics Data System (ADS)
Giess, S. C.
1988-04-01
Privacy problems involved in allowing access to computers over the Public Switched Telephone Network (PSTN) are discussed. The relevant aspects of current land-line PSTN and cellular radio operations are described and the weaknesses of the access controls of current computer systems are discussed. Possible solutions that would allow access under a limited set of conditions are described.
Statistical methods and computing for big data
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
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...
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...
Computing methods in applied sciences and engineering. VII
Glowinski, R.; Lions, J.L.
1986-01-01
The design of computers with fast memories, capable of up to one billion floating point operations per second, is important for the attempts being made to solve problems in Scientific Computing. The role of numerical algorithm designers is important due to the architectures and programming necessary to utilize the full potential of these machines. Efficient use of such computers requires sophisticated programming tools, and in the case of parallel computers algorithmic concepts have to be introduced. These new methods and concepts are presented.
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…
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.
An experimental unification of reservoir computing methods.
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.
The Importance of Computer Science for Public Health Training: An Opportunity and Call to Action
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
The Importance of Computer Science for Public Health Training: An Opportunity and Call to Action.
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.
Discontinuous Galerkin Methods: Theory, Computation and Applications
Cockburn, B.; Karniadakis, G. E.; Shu, C-W
2000-12-31
This volume contains a survey article for Discontinuous Galerkin Methods (DGM) by the editors as well as 16 papers by invited speakers and 32 papers by contributed speakers of the First International Symposium on Discontinuous Galerkin Methods. It covers theory, applications, and implementation aspects of DGM.
Classical versus Computer Algebra Methods in Elementary Geometry
ERIC Educational Resources Information Center
Pech, Pavel
2005-01-01
Computer algebra methods based on results of commutative algebra like Groebner bases of ideals and elimination of variables make it possible to solve complex, elementary and non elementary problems of geometry, which are difficult to solve using a classical approach. Computer algebra methods permit the proof of geometric theorems, automatic…
12 CFR 227.25 - Unfair balance computation method.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 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 paragraph (b) of this section, a bank must not impose finance charges on balances on a consumer credit...
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.
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.
Performance comparison of publicly available retinal blood vessel segmentation methods.
Vostatek, Pavel; Claridge, Ela; Uusitalo, Hannu; Hauta-Kasari, Markku; Fält, Pauli; Lensu, Lasse
2017-01-01
Retinal blood vessel structure is an important indicator of many retinal and systemic diseases, which has motivated the development of various image segmentation methods for the blood vessels. In this study, two supervised and three unsupervised segmentation methods with a publicly available implementation are reviewed and quantitatively compared with each other on five public databases with ground truth segmentation of the vessels. Each method is tested under consistent conditions with two types of preprocessing, and the parameters of the methods are optimized for each database. Additionally, possibility to predict the parameters of the methods by the linear regression model is tested for each database. Resolution of the input images and amount of the vessel pixels in the ground truth are used as predictors. The results show the positive influence of preprocessing on the performance of the unsupervised methods. The methods show similar performance for segmentation accuracy, with the best performance achieved by the method by Azzopardi et al. (Acc 94.0) on ARIADB, the method by Soares et al. (Acc 94.6, 94.7) on CHASEDB1 and DRIVE, and the method by Nguyen et al. (Acc 95.8, 95.5) on HRF and STARE. The method by Soares et al. performed better with regard to the area under the ROC curve. Qualitative differences between the methods are discussed. Finally, it was possible to predict the parameter settings that give performance close to the optimized performance of each method.
Information Dissemination of Public Health Emergency on Social Networks and Intelligent Computation
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
[Mixed methods research in public health: issues and illustration].
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.
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?
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…
The Diffusion of Evaluation Methods among Public Relations Practitioners.
ERIC Educational Resources Information Center
Dozier, David M.
A study explored the relationships between public relations practitioners' organizational roles and the type of evaluation methods they used on the job. Based on factor analysis of role data obtained from an earlier study, four organizational roles were defined and ranked: communication manager, media relations specialist, communication liaison,…
Method for transferring data from an unsecured computer to a secured computer
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.
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.
Assessment of gene order computing methods for Alzheimer's disease
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
Defining the activities of publicness for Korea's public community hospitals using the Delphi method
Lee, Kunsei; Kim, Hyun Joo; You, Myoungsoon; Lee, Jin-Seok; Eun, Sang Jun; Jeong, Hyoseon; Ahn, Hye Mi; Lee, Jin Yong
2017-01-01
Abstract This study aims to identify which activities of a public community hospital (PHC) should be included in their definition of publicness and tries to achieve a consensus among experts using the Delphi method. We conduct 2 rounds of the Delphi process with 17 panel members using a developed draft of tentative activities for publicness including 5 main categories covering 27 items. The questions remain the same in both rounds and the applicability of each of the 27 items to publicness is measured on a 9-point scale. If the participants believe government funding is needed, we ask how much they think the government should support each item on a 0% to 100% scale. After conducting 2 rounds of the Delphi process, 22 out of the 27 items reached a consensus as activities defining the publicness of the PHCs. Among the 5 major categories, in category C, activities preventing market failure, all 10 items were considered activities of publicness. Nine of these were evaluated as items that should be compensated at 100% of total financial loss by the Korean government. Throughout results, we were able to define the activities of the PCH that encompassed its publicness and confirm that there are “good deficits” in the context of the PCHs. Thus, some PCH deficits are unavoidable and not wasted as these monies support a necessary role and function in providing public health. The Korean government should therefore consider taking actions such as exempting such “good deficits” or providing additional financial aid to reimburse the PHCs for “good deficits.” PMID:28296785
A computationally efficient denoising and hole-filling method for depth image enhancement
NASA Astrophysics Data System (ADS)
Liu, Soulan; Chen, Chen; Kehtarnavaz, Nasser
2016-04-01
Depth maps captured by Kinect depth cameras are being widely used for 3D action recognition. However, such images often appear noisy and contain missing pixels or black holes. This paper presents a computationally efficient method for both denoising and hole-filling in depth images. The denoising is achieved by utilizing a combination of Gaussian kernel filtering and anisotropic filtering. The hole-filling is achieved by utilizing a combination of morphological filtering and zero block filtering. Experimental results using the publicly available datasets are provided indicating the superiority of the developed method in terms of both depth error and computational efficiency compared to three existing methods.
Three-dimensional protein structure prediction: Methods and computational strategies.
Dorn, Márcio; E Silva, Mariel Barbachan; Buriol, Luciana S; Lamb, Luis C
2014-10-12
A long standing problem in structural bioinformatics is to determine the three-dimensional (3-D) structure of a protein when only a sequence of amino acid residues is given. Many computational methodologies and algorithms have been proposed as a solution to the 3-D Protein Structure Prediction (3-D-PSP) problem. These methods can be divided in four main classes: (a) first principle methods without database information; (b) first principle methods with database information; (c) fold recognition and threading methods; and (d) comparative modeling methods and sequence alignment strategies. Deterministic computational techniques, optimization techniques, data mining and machine learning approaches are typically used in the construction of computational solutions for the PSP problem. Our main goal with this work is to review the methods and computational strategies that are currently used in 3-D protein prediction.
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.
Computational Methods for Probabilistic Target Tracking Problems
2007-09-01
Undergraduate Students: Ms. Angela Edwards, Mr. Bryahn Ivery, Mr. Dustin Lupton, Mr. James Pender, Mr. Terrell Felder , Ms. Krystal Knight Under...two more graduate students, Mr. Ricardo Bernal and Ms Alisha Williams, and two more undergraduate students, Ms Krystal Knight and Mr. Terrell Felder ...Technical State University, April 24, 2006 “Using Tree Based Methods to Classify Messages”, Terrell A. Felder , Math Awareness Mini-Conference
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…
Training in Methods in Computational Neuroscience
1989-11-14
this length of course in the future. Much improved over last’s years course was the existence of a a text: Methods in Neuronal Modeling, edited by...the Single Neuron a one-day workshop held on August 12, 1989 sponsored by the Office of Naval Research Participants: Thomas McKenna Office of Naval...IDAN SEGEV Introduction to cable theory; Rail’s model of neurons ; d3 / 2 law 11:15 am CLAY ARMSTRONG Relating stochastic single channels to
Multiscale methods for computational RNA enzymology
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
Coarse-graining methods for computational biology.
Saunders, Marissa G; Voth, Gregory A
2013-01-01
Connecting the molecular world to biology requires understanding how molecular-scale dynamics propagate upward in scale to define the function of biological structures. To address this challenge, multiscale approaches, including coarse-graining methods, become necessary. We discuss here the theoretical underpinnings and history of coarse-graining and summarize the state of the field, organizing key methodologies based on an emerging paradigm for multiscale theory and modeling of biomolecular systems. This framework involves an integrated, iterative approach to couple information from different scales. The primary steps, which coincide with key areas of method development, include developing first-pass coarse-grained models guided by experimental results, performing numerous large-scale coarse-grained simulations, identifying important interactions that drive emergent behaviors, and finally reconnecting to the molecular scale by performing all-atom molecular dynamics simulations guided by the coarse-grained results. The coarse-grained modeling can then be extended and refined, with the entire loop repeated iteratively if necessary.
Multiscale methods for computational RNA enzymology.
Panteva, Maria T; Dissanayake, Thakshila; Chen, Haoyuan; Radak, Brian K; Kuechler, Erich R; Giambaşu, George M; Lee, Tai-Sung; York, Darrin M
2015-01-01
RNA catalysis is of fundamental importance to biology and yet remains ill-understood due to its complex nature. The multidimensional "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 chapter 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 simulations, reference interaction site model calculations, constant pH molecular dynamics (CpHMD) simulations, Hamiltonian replica exchange molecular dynamics, and quantum mechanical/molecular mechanical 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 and RNase A.
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.
Computer systems and methods for visualizing data
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.
Computer systems and methods for visualizing data
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.
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.
Method to Compute CT System MTF
Kallman, Jeffrey S.
2016-05-03
The modulation transfer function (MTF) is the normalized spatial frequency representation of the point spread function (PSF) of the system. Point objects are hard to come by, so typically the PSF is determined by taking the numerical derivative of the system's response to an edge. This is the method we use, and we typically use it with cylindrical objects. Given a cylindrical object, we first put an active contour around it, as shown in Figure 1(a). The active contour lets us know where the boundary of the test object is. We next set a threshold (Figure 1(b)) and determine the center of mass of the above threshold voxels. For the purposes of determining the center of mass, each voxel is weighted identically (not by voxel value).
Computational methods to identify new antibacterial targets.
McPhillie, Martin J; Cain, Ricky M; Narramore, Sarah; Fishwick, Colin W G; Simmons, Katie J
2015-01-01
The development of resistance to all current antibiotics in the clinic means there is an urgent unmet need for novel antibacterial agents with new modes of action. One of the best ways of finding these is to identify new essential bacterial enzymes to target. The advent of a number of in silico tools has aided classical methods of discovering new antibacterial targets, and these programs are the subject of this review. Many of these tools apply a cheminformatic approach, utilizing the structural information of either ligand or protein, chemogenomic databases, and docking algorithms to identify putative antibacterial targets. Considering the wealth of potential drug targets identified from genomic research, these approaches are perfectly placed to mine this rich resource and complement drug discovery programs.
Secure encapsulation and publication of biological services in the cloud computing environment.
Zhang, Weizhe; Wang, Xuehui; Lu, Bo; Kim, Tai-hoon
2013-01-01
Secure encapsulation and publication for bioinformatics software products based on web service are presented, and the basic function of biological information is realized in the cloud computing environment. In the encapsulation phase, the workflow and function of bioinformatics software are conducted, the encapsulation interfaces are designed, and the runtime interaction between users and computers is simulated. In the publication phase, the execution and management mechanisms and principles of the GRAM components are analyzed. The functions such as remote user job submission and job status query are implemented by using the GRAM components. The services of bioinformatics software are published to remote users. Finally the basic prototype system of the biological cloud is achieved.
Federal Register 2010, 2011, 2012, 2013, 2014
2011-03-07
... ADMINISTRATION Privacy Act of 1974, as Amended; Computer Matching Program (SSA/ Bureau of the Public Debt (BPD... provisions of the Privacy Act, as amended, this notice announces a renewal of an existing computer matching... INFORMATION: A. General The Computer Matching and Privacy Protection Act of 1988 (Public Law (Pub. L.)...
Federal Register 2010, 2011, 2012, 2013, 2014
2011-03-07
... ADMINISTRATION Privacy Act of 1974, as Amended; Computer Matching Program (SSA/ Bureau of the Public Debt (BPD... provisions of the Privacy Act, as amended, this notice announces a renewal of an existing computer matching... INFORMATION: A. General The Computer Matching and Privacy Protection Act of 1988 (Public Law (Pub. L.)...
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 for Internet use in all NARA research rooms. The number of workstations varies per location....
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 for Internet use in all NARA research rooms. The number of workstations varies per location....
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 for Internet use in all NARA research rooms. The number of workstations varies per location....
METHODOLOGICAL NOTES: Computer viruses and methods of combatting them
NASA Astrophysics Data System (ADS)
Landsberg, G. L.
1991-02-01
This article examines the current virus situation for personal computers and time-sharing computers. Basic methods of combatting viruses are presented. Specific recommendations are given to eliminate the most widespread viruses. A short description is given of a universal antiviral system, PHENIX, which has been developed.
Computer program uses characteristics method for free-jet investigation
NASA Technical Reports Server (NTRS)
Craidon, C. B.
1967-01-01
Computer program computes the free-jet boundary contours and other flow properties within the exhaust plume from highly underexpanded nozzles operating in near-vacuum conditions. The calculations are made by the method of characteristics which makes use of three-dimensional irrotational equations of flow.
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.
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.
Taking the High Ground: A Case for Department of Defense Application of Public Cloud Computing
2011-06-01
maintain pace with advances in commercial IT. As Waxer observes, private infras - tructures can rarely match the service levels offered by public cloud...hypervisor (See Figure 3) runs directly on the host’s hardware and guest operating systems are installed one layer above it. VMWare ESXi and Microsoft Hyper ...cio.gov/documents/Federal-Cloud-Computing-Strategy.pdf. 8. D. Linthicum, Cloud Computing and SOA Convergence in Your Enterprise: A Step-by-Step Guide
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…
Multimodal neuroimaging computing: the workflows, methods, and platforms.
Liu, Sidong; Cai, Weidong; Liu, Siqi; Zhang, Fan; Fulham, Michael; Feng, Dagan; Pujol, Sonia; Kikinis, Ron
The last two decades have witnessed the explosive growth in the development and use of noninvasive neuroimaging technologies that advance the research on human brain under normal and pathological conditions. Multimodal neuroimaging has become a major driver of current neuroimaging research due to the recognition of the clinical benefits of multimodal data, and the better access to hybrid devices. Multimodal neuroimaging computing is very challenging, and requires sophisticated computing to address the variations in spatiotemporal resolution and merge the biophysical/biochemical information. We review the current workflows and methods for multimodal neuroimaging computing, and also demonstrate how to conduct research using the established neuroimaging computing packages and platforms.
Multimodal neuroimaging computing: the workflows, methods, and platforms.
Liu, Sidong; Cai, Weidong; Liu, Siqi; Zhang, Fan; Fulham, Michael; Feng, Dagan; Pujol, Sonia; Kikinis, Ron
2015-09-01
The last two decades have witnessed the explosive growth in the development and use of noninvasive neuroimaging technologies that advance the research on human brain under normal and pathological conditions. Multimodal neuroimaging has become a major driver of current neuroimaging research due to the recognition of the clinical benefits of multimodal data, and the better access to hybrid devices. Multimodal neuroimaging computing is very challenging, and requires sophisticated computing to address the variations in spatiotemporal resolution and merge the biophysical/biochemical information. We review the current workflows and methods for multimodal neuroimaging computing, and also demonstrate how to conduct research using the established neuroimaging computing packages and platforms.
Computer based safety training: an investigation of methods
Wallen, E; Mulloy, K
2005-01-01
Background: Computer based methods are increasingly being used for training workers, although our understanding of how to structure this training has not kept pace with the changing abilities of computers. Information on a computer can be presented in many different ways and the style of presentation can greatly affect learning outcomes and the effectiveness of the learning intervention. Many questions about how adults learn from different types of presentations and which methods best support learning remain unanswered. Aims: To determine if computer based methods, which have been shown to be effective on younger students, can also be an effective method for older workers in occupational health and safety training. Methods: Three versions of a computer based respirator training module were developed and presented to manufacturing workers: one consisting of text only; one with text, pictures, and animation; and one with narration, pictures, and animation. After instruction, participants were given two tests: a multiple choice test measuring low level, rote learning; and a transfer test measuring higher level learning. Results: Participants receiving the concurrent narration with pictures and animation scored significantly higher on the transfer test than did workers receiving the other two types of instruction. There were no significant differences between groups on the multiple choice test. Conclusions: Narration with pictures and text may be a more effective method for training workers about respirator safety than other popular methods of computer based training. Further study is needed to determine the conditions for the effective use of this technology. PMID:15778259
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.
Platform-independent method for computer aided schematic drawings
Vell, Jeffrey L [Slingerlands, NY; Siganporia, Darius M [Clifton Park, NY; Levy, Arthur J [Fort Lauderdale, FL
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.
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
Method and computer program product for maintenance and modernization backlogging
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.
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.
Public health surveillance: historical origins, methods and evaluation.
Declich, S.; Carter, A. O.
1994-01-01
In the last three decades, disease surveillance has grown into a complete discipline, quite distinct from epidemiology. This expansion into a separate scientific area within public health has not been accompanied by parallel growth in the literature about its principles and methods. The development of the fundamental concepts of surveillance systems provides a basis on which to build a better understanding of the subject. In addition, the concepts have practical value as they can be used in designing new systems as well as understanding or evaluating currently operating systems. This article reviews the principles of surveillance, beginning with a historical survey of the roots and evolution of surveillance, and discusses the goals of public health surveillance. Methods for data collection, data analysis, interpretation, and dissemination are presented, together with proposed procedures for evaluating and improving a surveillance system. Finally, some points to be considered in establishing a new surveillance system are presented. PMID:8205649
Computer Simulation Methods for Defect Configurations and Nanoscale Structures
Gao, Fei
2010-01-01
This chapter will describe general computer simulation methods, including ab initio calculations, molecular dynamics and kinetic Monte-Carlo method, and their applications to the calculations of defect configurations in various materials (metals, ceramics and oxides) and the simulations of nanoscale structures due to ion-solid interactions. The multiscale theory, modeling, and simulation techniques (both time scale and space scale) will be emphasized, and the comparisons between computer simulation results and exprimental observations will be made.
Panel-Method Computer Code For Potential Flow
NASA Technical Reports Server (NTRS)
Ashby, Dale L.; Dudley, Michael R.; Iguchi, Steven K.
1992-01-01
Low-order panel method used to reduce computation time. Panel code PMARC (Panel Method Ames Research Center) numerically simulates flow field around or through complex three-dimensional bodies such as complete aircraft models or wind tunnel. Based on potential-flow theory. Facilitates addition of new features to code and tailoring of code to specific problems and computer-hardware constraints. Written in standard FORTRAN 77.
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.
Methods for operating parallel computing systems employing sequenced communications
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.
Methods for operating parallel computing systems employing sequenced communications
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.
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…
ERIC Educational Resources Information Center
Gu, Yinian
2002-01-01
Explores the Malaysian computer science and information technology publication productivity as indicated by data collected from three Web-based databases. Relates possible reasons for the amount and pattern of contributions to the size of researcher population, the availability of refereed scholarly journals, and the total expenditure allocated to…
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.
Checklist and "Pollard Walk" butterfly survey methods on public lands
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.
Computational Methods for Configurational Entropy Using Internal and Cartesian Coordinates.
Hikiri, Simon; Yoshidome, Takashi; Ikeguchi, Mitsunori
2016-12-13
The configurational entropy of solute molecules is a crucially important quantity to study various biophysical processes. Consequently, it is necessary to establish an efficient quantitative computational method to calculate configurational entropy as accurately as possible. In the present paper, we investigate the quantitative performance of the quasi-harmonic and related computational methods, including widely used methods implemented in popular molecular dynamics (MD) software packages, compared with the Clausius method, which is capable of accurately computing the change of the configurational entropy upon temperature change. Notably, we focused on the choice of the coordinate systems (i.e., internal or Cartesian coordinates). The Boltzmann-quasi-harmonic (BQH) method using internal coordinates outperformed all the six methods examined here. The introduction of improper torsions in the BQH method improves its performance, and anharmonicity of proper torsions in proteins is identified to be the origin of the superior performance of the BQH method. In contrast, widely used methods implemented in MD packages show rather poor performance. In addition, the enhanced sampling of replica-exchange MD simulations was found to be efficient for the convergent behavior of entropy calculations. Also in folding/unfolding transitions of a small protein, Chignolin, the BQH method was reasonably accurate. However, the independent term without the correlation term in the BQH method was most accurate for the folding entropy among the methods considered in this study, because the QH approximation of the correlation term in the BQH method was no longer valid for the divergent unfolded structures.
Public participation GIS: a method for identifying ecosystems services
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.
Managing expectations when publishing tools and methods for computational proteomics.
Martens, Lennart; Kohlbacher, Oliver; Weintraub, Susan T
2015-05-01
Computational tools are pivotal in proteomics because they are crucial for identification, quantification, and statistical assessment of data. The gateway to finding the best choice of a tool or approach for a particular problem is frequently journal articles, yet there is often an overwhelming variety of options that makes it hard to decide on the best solution. This is particularly difficult for nonexperts in bioinformatics. The maturity, reliability, and performance of tools can vary widely because publications may appear at different stages of development. A novel idea might merit early publication despite only offering proof-of-principle, while it may take years before a tool can be considered mature, and by that time it might be difficult for a new publication to be accepted because of a perceived lack of novelty. After discussions with members of the computational mass spectrometry community, we describe here proposed recommendations for organization of informatics manuscripts as a way to set the expectations of readers (and reviewers) through three different manuscript types that are based on existing journal designations. Brief Communications are short reports describing novel computational approaches where the implementation is not necessarily production-ready. Research Articles present both a novel idea and mature implementation that has been suitably benchmarked. Application Notes focus on a mature and tested tool or concept and need not be novel but should offer advancement from improved quality, ease of use, and/or implementation. Organizing computational proteomics contributions into these three manuscript types will facilitate the review process and will also enable readers to identify the maturity and applicability of the tool for their own workflows.
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.
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.
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.
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)
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.
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…
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.
Public library computer training for older adults to access high-quality Internet health information
Xie, Bo; Bugg, Julie M.
2010-01-01
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. PMID:20161649
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.
Leveraging Cloud Computing to Address Public Health Disparities: An Analysis of the SPHPS.
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.
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.
A stochastic method for computing hadronic matrix elements
Alexandrou, Constantia; Constantinou, Martha; Dinter, Simon; ...
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.
The spectral-element method, Beowulf computing, and global seismology.
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.
Software for computing eigenvalue bounds for iterative subspace matrix methods
NASA Astrophysics Data System (ADS)
Shepard, Ron; Minkoff, Michael; Zhou, Yunkai
2005-07-01
This paper describes software for computing eigenvalue bounds to the standard and generalized hermitian eigenvalue problem as described in [Y. Zhou, R. Shepard, M. Minkoff, Computing eigenvalue bounds for iterative subspace matrix methods, Comput. Phys. Comm. 167 (2005) 90-102]. The software discussed in this manuscript applies to any subspace method, including Lanczos, Davidson, SPAM, Generalized Davidson Inverse Iteration, Jacobi-Davidson, and the Generalized Jacobi-Davidson methods, and it is applicable to either outer or inner eigenvalues. This software can be applied during the subspace iterations in order to truncate the iterative process and to avoid unnecessary effort when converging specific eigenvalues to a required target accuracy, and it can be applied to the final set of Ritz values to assess the accuracy of the converged results. Program summaryTitle of program: SUBROUTINE BOUNDS_OPT Catalogue identifier: ADVE Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVE Computers: any computer that supports a Fortran 90 compiler Operating systems: any computer that supports a Fortran 90 compiler Programming language: Standard Fortran 90 High speed storage required:5m+5 working-precision and 2m+7 integer for m Ritz values No. of bits in a word: The floating point working precision is parameterized with the symbolic constant WP No. of lines in distributed program, including test data, etc.: 2452 No. of bytes in distributed program, including test data, etc.: 281 543 Distribution format: tar.gz Nature of physical problem: The computational solution of eigenvalue problems using iterative subspace methods has widespread applications in the physical sciences and engineering as well as other areas of mathematical modeling (economics, social sciences, etc.). The accuracy of the solution of such problems and the utility of those errors is a fundamental problem that is of
Fully consistent CFD methods for incompressible flow computations
NASA Astrophysics Data System (ADS)
Kolmogorov, D. K.; Shen, W. Z.; Sørensen, N. N.; Sørensen, J. N.
2014-06-01
Nowadays collocated grid based CFD methods are one of the most efficient tools for computations of the flows past wind turbines. To ensure the robustness of the methods they require special attention to the well-known problem of pressure-velocity coupling. Many commercial codes to ensure the pressure-velocity coupling on collocated grids use the so-called momentum interpolation method of Rhie and Chow [1]. As known, the method and some of its widely spread modifications result in solutions, which are dependent of time step at convergence. In this paper the magnitude of the dependence is shown to contribute about 0.5% into the total error in a typical turbulent flow computation. Nevertheless if coarse grids are used, the standard interpolation methods result in much higher non-consistent behavior. To overcome the problem, a recently developed interpolation method, which is independent of time step, is used. It is shown that in comparison to other time step independent method, the method may enhance the convergence rate of the SIMPLEC algorithm up to 25 %. The method is verified using turbulent flow computations around a NACA 64618 airfoil and the roll-up of a shear layer, which may appear in wind turbine wake.
Practical Use of Computationally Frugal Model Analysis Methods
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
Practical Use of Computationally Frugal Model Analysis Methods
Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; ...
2015-03-21
Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugalmore » methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts« less
Determinant Computation on the GPU using the Condensation Method
NASA Astrophysics Data System (ADS)
Anisul Haque, Sardar; Moreno Maza, Marc
2012-02-01
We report on a GPU implementation of the condensation method designed by Abdelmalek Salem and Kouachi Said for computing the determinant of a matrix. We consider two types of coefficients: modular integers and floating point numbers. We evaluate the performance of our code by measuring its effective bandwidth and argue that it is numerical stable in the floating point number case. In addition, we compare our code with serial implementation of determinant computation from well-known mathematical packages. Our results suggest that a GPU implementation of the condensation method has a large potential for improving those packages in terms of running time and numerical stability.
Numerical methods for solving ODEs on the infinity computer
NASA Astrophysics Data System (ADS)
Mazzia, F.; Sergeyev, Ya. D.; Iavernaro, F.; Amodio, P.; Mukhametzhanov, M. S.
2016-10-01
New algorithms for the numerical solution of Ordinary Differential Equations (ODEs) with initial conditions are proposed. They are designed for working on a new kind of a supercomputer - the Infinity Computer - that is able to deal numerically with finite, infinite and infinitesimal numbers. Due to this fact, the Infinity Computer allows one to calculate the exact derivatives of functions using infinitesimal values of the stepsize. As a consequence, the new methods are able to work with the exact values of the derivatives, instead of their approximations. Within this context, variants of one-step multi-point methods closely related to the classical Taylor formulae and to the Obrechkoff methods are considered. To get numerical evidence of the theoretical results, test problems are solved by means of the new methods and the results compared with the performance of classical methods.
Measuring coherence of computer-assisted likelihood ratio methods.
Haraksim, Rudolf; Ramos, Daniel; Meuwly, Didier; Berger, Charles E H
2015-04-01
Measuring the performance of forensic evaluation methods that compute likelihood ratios (LRs) is relevant for both the development and the validation of such methods. A framework of performance characteristics categorized as primary and secondary is introduced in this study to help achieve such development and validation. Ground-truth labelled fingerprint data is used to assess the performance of an example likelihood ratio method in terms of those performance characteristics. Discrimination, calibration, and especially the coherence of this LR method are assessed as a function of the quantity and quality of the trace fingerprint specimen. Assessment of the coherence revealed a weakness of the comparison algorithm in the computer-assisted likelihood ratio method used.
Practical Use of Computationally Frugal Model Analysis Methods.
Hill, Mary C; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen
2016-03-01
Three challenges compromise the utility of mathematical models of groundwater and other environmental systems: (1) a dizzying array of model analysis methods and metrics make it difficult to compare evaluations of model adequacy, sensitivity, and uncertainty; (2) the high computational demands of many popular model analysis methods (requiring 1000's, 10,000 s, or more model runs) make them difficult to apply to complex models; and (3) many models are plagued by unrealistic nonlinearities arising from the numerical model formulation and implementation. This study proposes a strategy to address these challenges through a careful combination of model analysis and implementation methods. In this strategy, computationally frugal model analysis methods (often requiring a few dozen parallelizable model runs) play a major role, and computationally demanding methods are used for problems where (relatively) inexpensive diagnostics suggest the frugal methods are unreliable. We also argue in favor of detecting and, where possible, eliminating unrealistic model nonlinearities-this increases the realism of the model itself and facilitates the application of frugal methods. Literature examples are used to demonstrate the use of frugal methods and associated diagnostics. We suggest that the strategy proposed in this paper would allow the environmental sciences community to achieve greater transparency and falsifiability of environmental models, and obtain greater scientific insight from ongoing and future modeling efforts.
An Accurate and Efficient Method of Computing Differential Seismograms
NASA Astrophysics Data System (ADS)
Hu, S.; Zhu, L.
2013-12-01
Inversion of seismic waveforms for Earth structure usually requires computing partial derivatives of seismograms with respect to velocity model parameters. We developed an accurate and efficient method to calculate differential seismograms for multi-layered elastic media, based on the Thompson-Haskell propagator matrix technique. We first derived the partial derivatives of the Haskell matrix and its compound matrix respect to the layer parameters (P wave velocity, shear wave velocity and density). We then derived the partial derivatives of surface displacement kernels in the frequency-wavenumber domain. The differential seismograms are obtained by using the frequency-wavenumber double integration method. The implementation is computationally efficient and the total computing time is proportional to the time of computing the seismogram itself, i.e., independent of the number of layers in the model. We verified the correctness of results by comparing with differential seismograms computed using the finite differences method. Our results are more accurate because of the analytical nature of the derived partial derivatives.
A comparative study of computational methods in cosmic gas dynamics
NASA Technical Reports Server (NTRS)
Van Albada, G. D.; Van Leer, B.; Roberts, W. W., Jr.
1982-01-01
Many theoretical investigations of fluid flows in astrophysics require extensive numerical calculations. The selection of an appropriate computational method is, therefore, important for the astronomer who has to solve an astrophysical flow problem. The present investigation has the objective to provide an informational basis for such a selection by comparing a variety of numerical methods with the aid of a test problem. The test problem involves a simple, one-dimensional model of the gas flow in a spiral galaxy. The numerical methods considered include the beam scheme, Godunov's method (G), the second-order flux-splitting method (FS2), MacCormack's method, and the flux corrected transport methods of Boris and Book (1973). It is found that the best second-order method (FS2) outperforms the best first-order method (G) by a huge margin.
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.
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.
Computer controlled fluorometer device and method of operating same
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.
Computational Methods for CLIP-seq Data Processing.
Reyes-Herrera, Paula H; Ficarra, Elisa
2014-01-01
RNA-binding proteins (RBPs) are at the core of post-transcriptional regulation and thus of gene expression control at the RNA level. One of the principal challenges in the field of gene expression regulation is to understand RBPs mechanism of action. As a result of recent evolution of experimental techniques, it is now possible to obtain the RNA regions recognized by RBPs on a transcriptome-wide scale. In fact, CLIP-seq protocols use the joint action of CLIP, crosslinking immunoprecipitation, and high-throughput sequencing to recover the transcriptome-wide set of interaction regions for a particular protein. Nevertheless, computational methods are necessary to process CLIP-seq experimental data and are a key to advancement in the understanding of gene regulatory mechanisms. Considering the importance of computational methods in this area, we present a review of the current status of computational approaches used and proposed for CLIP-seq data.
Computational Methods for CLIP-seq Data Processing
Reyes-Herrera, Paula H; Ficarra, Elisa
2014-01-01
RNA-binding proteins (RBPs) are at the core of post-transcriptional regulation and thus of gene expression control at the RNA level. One of the principal challenges in the field of gene expression regulation is to understand RBPs mechanism of action. As a result of recent evolution of experimental techniques, it is now possible to obtain the RNA regions recognized by RBPs on a transcriptome-wide scale. In fact, CLIP-seq protocols use the joint action of CLIP, crosslinking immunoprecipitation, and high-throughput sequencing to recover the transcriptome-wide set of interaction regions for a particular protein. Nevertheless, computational methods are necessary to process CLIP-seq experimental data and are a key to advancement in the understanding of gene regulatory mechanisms. Considering the importance of computational methods in this area, we present a review of the current status of computational approaches used and proposed for CLIP-seq data. PMID:25336930
Computer controlled fluorometer device and method of operating same
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.
Informed public choices for low-carbon electricity portfolios using a computer decision tool.
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/ .
Computational biology in the cloud: methods and new insights from computing at scale.
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.
PSD computations using Welch's method. [Power Spectral Density (PSD)
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.
Interactive method for computation of viscous flow with recirculation
NASA Technical Reports Server (NTRS)
Brandeis, J.; Rom, J.
1981-01-01
An interactive method is proposed for the solution of two-dimensional, laminar flow fields with identifiable regions of recirculation, such as the shear-layer-driven cavity flow. The method treats the flow field as composed of two regions, with an appropriate mathematical model adopted for each region. The shear layer is computed by the compressible boundary layer equations, and the slowly recirculating flow by the incompressible Navier-Stokes equations. The flow field is solved iteratively by matching the local solutions in the two regions. For this purpose a new matching method utilizing an overlap between the two computational regions is developed, and shown to be most satisfactory. Matching of the two velocity components, as well as the change in velocity with respect to depth is amply accomplished using the present approach, and the stagnation points corresponding to separation and reattachment of the dividing streamline are computed as part of the interactive solution. The interactive method is applied to the test problem of a shear layer driven cavity. The computational results are used to show the validity and applicability of the present approach.
Decluttering Methods for Computer-Generated Graphic Displays
NASA Technical Reports Server (NTRS)
Schultz, E. Eugene, Jr.
1986-01-01
Symbol simplification and contrasting enhance viewer's ability to detect particular symbol. Report describes experiments designed to indicate how various decluttering methods affect viewer's abilities to distinguish essential from nonessential features on computer-generated graphic displays. Results indicate partial removal of nonessential graphic features through symbol simplification effective in decluttering as total removal of nonessential graphic features.
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.
EQUILIBRIUM AND NONEQUILIBRIUM FOUNDATIONS OF FREE ENERGY COMPUTATIONAL METHODS
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.
Trajectory optimization using parallel shooting method on parallel computer
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.
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.
Ordering Methods for Sparse Matrices and Vector Computers.
1986-08-15
H.D. Simon, "Incomplete LU Preconditioners for Conjugate-Gradient-Type Iterative Methods," Eighth SPE Symposium on Reservoir Simulation , Dallas, Texas...Computing). H. D. Simon, Incomplete LU Preconditioners for Conjugate-Gradient-Type Iterative Methods, Proceedings of the Eighth SPE Symposium on Reservoir ... Simulation , Dallas, Texas, February 1985. RECENT PRESENTATIONS AT PROFESSIONAL MEETINGS C. Ashcraft, "The Solution of Banded Systems of Equations in
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.
Revisiting Seismic Tomography Through Direct Methods and High Performance Computing
NASA Astrophysics Data System (ADS)
Ishii, M.; Bogiatzis, P.; Davis, T. A.
2015-12-01
Over the last two decades, the rapid increase in data availability and computational power significantly increased the number of data and model parameters that can be investigated in seismic tomography problems. Often, the model space consists of 105-106 unknown parameters and there are comparable numbers of observations, making direct computational methods such as the singular value decomposition prohibitively expensive or impossible, leaving iterative solvers as the only alternative option. Among the disadvantages of the iterative algorithms is that the inverse of the matrix that defines the system is not explicitly formed. As a consequence, the model resolution and covariance matrices, that are crucial for the quantitative assessment of the uncertainty of the tomographic models, cannot be computed. Despite efforts in finding computationally affordable approximations of these matrices, challenges remain, and approaches such as the checkerboard resolution tests continue to be used. Based upon recent developments in sparse algorithms and high performance computing resources, we demonstrate that direct methods are becoming feasible for large seismic tomography problems, and apply the technique to obtain a regional P-wave tomography model and its full resolution matrix with 267,520 parameters. Furthermore, we show that the structural analysis of the forward operators of the seismic tomography problems can provide insights into the inverse problem, and allows us to determine and exploit approximations that yield accurate solutions.
A literature review of neck pain associated with computer use: public health implications
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
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...
Digital data storage systems, computers, and data verification methods
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.
The ensemble switch method for computing interfacial tensions
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.
The ensemble switch method for computing interfacial tensions.
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.
An effective method for computing the noise in biochemical networks
Zhang, Jiajun; Nie, Qing; He, Miao; Zhou, Tianshou
2013-01-01
We present a simple yet effective method, which is based on power series expansion, for computing exact binomial moments that can be in turn used to compute steady-state probability distributions as well as the noise in linear or nonlinear biochemical reaction networks. When the method is applied to representative reaction networks such as the ON-OFF models of gene expression, gene models of promoter progression, gene auto-regulatory models, and common signaling motifs, the exact formulae for computing the intensities of noise in the species of interest or steady-state distributions are analytically given. Interestingly, we find that positive (negative) feedback does not enlarge (reduce) noise as claimed in previous works but has a counter-intuitive effect and that the multi-OFF (or ON) mechanism always attenuates the noise in contrast to the common ON-OFF mechanism and can modulate the noise to the lowest level independently of the mRNA mean. Except for its power in deriving analytical expressions for distributions and noise, our method is programmable and has apparent advantages in reducing computational cost. PMID:23464139
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.
SAR/QSAR methods in public health practice.
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.
A Computationally Efficient Method for Polyphonic Pitch Estimation
NASA Astrophysics Data System (ADS)
Zhou, Ruohua; Reiss, Joshua D.; Mattavelli, Marco; Zoia, Giorgio
2009-12-01
This paper presents a computationally efficient method for polyphonic pitch estimation. The method employs the Fast Resonator Time-Frequency Image (RTFI) as the basic time-frequency analysis tool. The approach is composed of two main stages. First, a preliminary pitch estimation is obtained by means of a simple peak-picking procedure in the pitch energy spectrum. Such spectrum is calculated from the original RTFI energy spectrum according to harmonic grouping principles. Then the incorrect estimations are removed according to spectral irregularity and knowledge of the harmonic structures of the music notes played on commonly used music instruments. The new approach is compared with a variety of other frame-based polyphonic pitch estimation methods, and results demonstrate the high performance and computational efficiency of the approach.
Method of computer-aided measurement in a shooting range
NASA Astrophysics Data System (ADS)
Liu, Chanlao; Zhang, Yun; Xiong, Rensheng; Sun, Yishang
2000-10-01
In the view of the blindness of photoelectric measurement scheme argument and the danger of live shell measurement in shooting range, this paper provided a computer aided measurement method guiding the measurement scheme argument and equipment researching and producing and driving the measurement process visiblization and standardization. The computer aided measurement in shooting range can be divided into the mathematical simulation of targets moving, the mathematical simulation of measurement method, the mathematical simulation of photoelectric system, the animated displaying of measurement process, and so on. By adding random jamming, Gaussian white noise and so on, the live measurement environment and condition was built. By using mathematical discretization, the time series pictures was obtained. By controlling the time changing and time unifying of several equipment, the animated displaying of measurement process was built. The programming language was MATLAB. The method was proved through simulating the intersection measurement trajectory of antiaircraft gun's shell successfully.
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.
Computational methods in metabolic engineering for strain design.
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.
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.
Fast calculation method for computer-generated cylindrical holograms.
Yamaguchi, Takeshi; Fujii, Tomohiko; Yoshikawa, Hiroshi
2008-07-01
Since a general flat hologram has a limited viewable area, we usually cannot see the other side of a reconstructed object. There are some holograms that can solve this problem. A cylindrical hologram is well known to be viewable in 360 deg. Most cylindrical holograms are optical holograms, but there are few reports of computer-generated cylindrical holograms. The lack of computer-generated cylindrical holograms is because the spatial resolution of output devices is not great enough; therefore, we have to make a large hologram or use a small object to fulfill the sampling theorem. In addition, in calculating the large fringe, the calculation amount increases in proportion to the hologram size. Therefore, we propose what we believe to be a new calculation method for fast calculation. Then, we print these fringes with our prototype fringe printer. As a result, we obtain a good reconstructed image from a computer-generated cylindrical hologram.
Methods for library-scale computational protein design.
Johnson, Lucas B; Huber, Thaddaus R; Snow, Christopher D
2014-01-01
Faced with a protein engineering challenge, a contemporary researcher can choose from myriad design strategies. Library-scale computational protein design (LCPD) is a hybrid method suitable for the engineering of improved protein variants with diverse sequences. This chapter discusses the background and merits of several practical LCPD techniques. First, LCPD methods suitable for delocalized protein design are presented in the context of example design calculations for cellobiohydrolase II. Second, localized design methods are discussed in the context of an example design calculation intended to shift the substrate specificity of a ketol-acid reductoisomerase Rossmann domain from NADPH to NADH.
Investigation of Ultrasonic Wave Scattering Effects using Computational Methods
NASA Astrophysics Data System (ADS)
Campbell Leckey, Cara Ann
2011-12-01
Advances in computational power and expanded access to computing clusters has made mathematical modeling of complex wave effects possible. We have used multi-core and cluster computing to implement analytical and numerical models of ultrasonic wave scattering in fluid and solid media (acoustic and elastic waves). We begin by implementing complicated analytical equations that describe the force upon spheres immersed in inviscid and viscous fluids due to an incident plane wave. Two real-world applications of acoustic force upon spheres are investigated using the mathematical formulations: emboli removal from cardiopulmonary bypass circuits using traveling waves and the micromanipulation of algal cells with standing waves to aid in biomass processing for algae biofuels. We then move on to consider wave scattering situations where analytical models do not exist: scattering of acoustic waves from multiple scatterers in fluids and Lamb wave scattering in solids. We use a numerical method called finite integration technique (FIT) to simulate wave behavior in three dimensions. The 3D simulations provide insight into experimental results for situations where 2D simulations would not be sufficient. The diverse set of scattering situations explored in this work show the broad applicability of the underlying principles and the computational tools that we have developed. Overall, our work shows that the movement towards better availability of large computational resources is opening up new ways to investigate complicated physics phenomena.
Practical methods to improve the development of computational software
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)
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.
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.
Advanced Computational Aeroacoustics Methods for Fan Noise Prediction
NASA Technical Reports Server (NTRS)
Envia, Edmane (Technical Monitor); Tam, Christopher
2003-01-01
Direct computation of fan noise is presently not possible. One of the major difficulties is the geometrical complexity of the problem. In the case of fan noise, the blade geometry is critical to the loading on the blade and hence the intensity of the radiated noise. The precise geometry must be incorporated into the computation. In computational fluid dynamics (CFD), there are two general ways to handle problems with complex geometry. One way is to use unstructured grids. The other is to use body fitted overset grids. In the overset grid method, accurate data transfer is of utmost importance. For acoustic computation, it is not clear that the currently used data transfer methods are sufficiently accurate as not to contaminate the very small amplitude acoustic disturbances. In CFD, low order schemes are, invariably, used in conjunction with unstructured grids. However, low order schemes are known to be numerically dispersive and dissipative. dissipative errors are extremely undesirable for acoustic wave problems. The objective of this project is to develop a high order unstructured grid Dispersion-Relation-Preserving (DRP) scheme. would minimize numerical dispersion and dissipation errors. contains the results of the funded portion of the project. scheme on an unstructured grid has been developed. constructed in the wave number space. The characteristics of the scheme can be improved by the inclusion of additional constraints. Stability of the scheme has been investigated. Stability can be improved by adopting the upwinding strategy.
Beyond the Melnikov method: A computer assisted approach
NASA Astrophysics Data System (ADS)
Capiński, Maciej J.; Zgliczyński, Piotr
2017-01-01
We present a Melnikov type approach for establishing transversal intersections of stable/unstable manifolds of perturbed normally hyperbolic invariant manifolds (NHIMs). The method is based on a new geometric proof of the normally hyperbolic invariant manifold theorem, which establishes the existence of a NHIM, together with its associated invariant manifolds and bounds on their first and second derivatives. We do not need to know the explicit formulas for the homoclinic orbits prior to the perturbation. We also do not need to compute any integrals along such homoclinics. All needed bounds are established using rigorous computer assisted numerics. Lastly, and most importantly, the method establishes intersections for an explicit range of parameters, and not only for perturbations that are 'small enough', as is the case in the classical Melnikov approach.
Computational methods for efficient structural reliability and reliability sensitivity analysis
NASA Technical Reports Server (NTRS)
Wu, Y.-T.
1993-01-01
This paper presents recent developments in efficient structural reliability analysis methods. The paper proposes an efficient, adaptive importance sampling (AIS) method that can be used to compute reliability and reliability sensitivities. The AIS approach uses a sampling density that is proportional to the joint PDF of the random variables. Starting from an initial approximate failure domain, sampling proceeds adaptively and incrementally with the goal of reaching a sampling domain that is slightly greater than the failure domain to minimize over-sampling in the safe region. Several reliability sensitivity coefficients are proposed that can be computed directly and easily from the above AIS-based failure points. These probability sensitivities can be used for identifying key random variables and for adjusting design to achieve reliability-based objectives. The proposed AIS methodology is demonstrated using a turbine blade reliability analysis problem.
Computer processing improves hydraulics optimization with new methods
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.
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.
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.
Computational methods. [Calculation of dynamic loading to offshore platforms
Maeda, H. . Inst. of Industrial Science)
1993-02-01
With regard to the computational methods for hydrodynamic forces, first identification of marine hydrodynamics in offshore technology is discussed. Then general computational methods, the state of the arts and uncertainty on flow problems in offshore technology in which developed, developing and undeveloped problems are categorized and future works follow. Marine hydrodynamics consists of water surface and underwater fluid dynamics. Marine hydrodynamics covers, not only hydro, but also aerodynamics such as wind load or current-wave-wind interaction, hydrodynamics such as cavitation, underwater noise, multi-phase flow such as two-phase flow in pipes or air bubble in water or surface and internal waves, and magneto-hydrodynamics such as propulsion due to super conductivity. Among them, two key words are focused on as the identification of marine hydrodynamics in offshore technology; they are free surface and vortex shedding.
Computational Methods for Sparse Solution of Linear Inverse Problems
2009-03-01
methods from harmonic analysis [5]. For example, natural images can be approximated with relatively few wavelet coefficients. As a consequence, in many...performed efficiently. For example, the cost of these products is O(N logN) when Φ is constructed from Fourier or wavelet bases. For algorithms that...stream community has proposed efficient algorithms for computing near-optimal histograms and wavelet -packet approximations from compressive samples [4
Improved diffraction computation with a hybrid C-RCWA-method
NASA Astrophysics Data System (ADS)
Bischoff, Joerg
2009-03-01
The Rigorous Coupled Wave Approach (RCWA) is acknowledged as a well established diffraction simulation method in electro-magnetic computing. Its two most essential applications in the semiconductor industry are in optical scatterometry and optical lithography simulation. In scatterometry, it is the standard technique to simulate spectra or diffraction responses for gratings to be characterized. In optical lithography simulation, it is an effective alternative to supplement or even to replace the FDTD for the calculation of light diffraction from thick masks as well as from wafer topographies. Unfortunately, the RCWA shows some serious disadvantages particularly for the modelling of grating profiles with shallow slopes and multilayer stacks with many layers such as extreme UV masks with large number of quarter wave layers. Here, the slicing may become a nightmare and also the computation costs may increase dramatically. Moreover, the accuracy is suffering due to the inadequate staircase approximation of the slicing in conjunction with the boundary conditions in TM polarization. On the other hand, the Chandezon Method (C-Method) solves all these problems in a very elegant way, however, it fails for binary patterns or gratings with very steep profiles where the RCWA works excellent. Therefore, we suggest a combination of both methods as plug-ins in the same scattering matrix coupling frame. The improved performance and the advantages of this hybrid C-RCWA-Method over the individual methods is shown with some relevant examples.
A hierarchical method for molecular docking using cloud computing.
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.
Interval sampling methods and measurement error: a computer simulation.
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.
Experiences using DAKOTA stochastic expansion methods in computational simulations.
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.
A Review of Computational Methods for Predicting Drug Targets.
Huang, Guohua; Yan, Fengxia; Tan, Duoduo
2016-11-14
Drug discovery and development is not only a time-consuming and labor-intensive process but also full of risk. Identifying targets of small molecules helps evaluate safety of drugs and find new therapeutic applications. The biotechnology measures a wide variety of properties related to drug and targets from different perspectives, thus generating a large body of data. This undoubtedly provides a solid foundation to explore relationships between drugs and targets. A large number of computational techniques have recently been developed for drug target prediction. In this paper, we summarize these computational methods and classify them into structure-based, molecular activity-based, side-effect-based and multi-omics-based predictions according to the used data for inference. The multi-omics-based methods are further grouped into two types: classifier-based and network-based predictions. Furthermore，the advantages and limitations of each type of methods are discussed. Finally, we point out the future directions of computational predictions for drug targets.
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.
Use of boundary element methods in field emission computations
Hartman, R.L.; Mackie, W.A.; Davis, P.R.
1994-03-01
The boundary element method is well suited to deal with some potential field problems encountered in the context of field emission. A boundary element method is presented in the specific case of three-dimensional problems with azimuthal symmetry. As a check, computed results are displayed for well-known theoretical examples. The code is then employed to calculate current from a field emission tip and from the same tip with a protrusion. Finally an extension of the boundary element code is employed to calculate space-charge effects on emitted current. 13 refs., 5 figs., 1 tab.
Rapid methods and computer assisted diagnosis in medical microbiology.
Heizmann, W R
1991-01-01
Rapid diagnosis and reporting in medical microbiology is becoming more and more important. In recent years, introduction of automated instruments as well as of computer assisted diagnosis contributed to this aim. These methods, however, are very expensive. A more cost efficient and simple to perform method for rapid diagnosis is the use of specific fluorogenic substrates incorporated into culture media (solid or liquid) for identification of the most important pathogens, e.g. Escherichia coli. Investigation of Fluorocult ECD agar and Columbia agar revealed a high sensitivity (85%) and an excellent specificity (greater than 99%) of fluorescence in combination with a positive indole reaction for identification of E. coli.
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.
Video meteor detection filtering using soft computing methods
NASA Astrophysics Data System (ADS)
Silađi, E.; Vida, D.; Nyarko, K.
2015-01-01
In this paper we present the current progress and results from the filtering of Croatian Meteor Network video meteor detections using soft computing methods such as neural networks and support vector machines (SVMs). The goal is to minimize the number of false-positives while preserving the real meteor detections. This is achieved by pre-processing the data to extract meteor movement parameters and then recognizing patterns distinct to meteors. The input data format is fully compliant with the CAMS meteor data standard, and as such the proposed method could be utilized by other meteor networks of the similar kind.
Computational Catalysis Using the Artificial Force Induced Reaction Method.
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
COMPARISON OF CLASSIFICATION STRATEGIES BY COMPUTER SIMULATION METHODS.
NAVAL TRAINING, COMPUTER PROGRAMMING), (*NAVAL PERSONNEL, CLASSIFICATION), SELECTION, SIMULATION, CORRELATION TECHNIQUES , PROBABILITY, COSTS, OPTIMIZATION, PERSONNEL MANAGEMENT, DECISION THEORY, COMPUTERS
Graphics processing unit acceleration of computational electromagnetic methods
NASA Astrophysics Data System (ADS)
Inman, Matthew
The use of Graphical Processing Units (GPU's) for scientific applications has been evolving and expanding for the decade. GPU's provide an alternative to the CPU in the creation and execution of the numerical codes that are often relied upon in to perform simulations in computational electromagnetics. While originally designed purely to display graphics on the users monitor, GPU's today are essentially powerful floating point co-processors that can be programmed not only to render complex graphics, but also perform the complex mathematical calculations often encountered in scientific computing. Currently the GPU's being produced often contain hundreds of separate cores able to access large amounts of high-speed dedicated memory. By utilizing the power offered by such a specialized processor, it is possible to drastically speed up the calculations required in computational electromagnetics. This increase in speed allows for the use of GPU based simulations in a variety of situations that the computational time has heretofore been a limiting factor in, such as in educational courses. Many situations in teaching electromagnetics often rely upon simple examples of problems due to the simulation times needed to analyze more complex problems. The use of GPU based simulations will be shown to allow demonstrations of more advanced problems than previously allowed by adapting the methods for use on the GPU. Modules will be developed for a wide variety of teaching situations utilizing the speed of the GPU to demonstrate various techniques and ideas previously unrealizable.
Computational methods for drug design and discovery: focus on China.
Zheng, Mingyue; Liu, Xian; Xu, Yuan; Li, Honglin; Luo, Cheng; Jiang, Hualiang
2013-10-01
In the past decades, China's computational drug design and discovery research has experienced fast development through various novel methodologies. Application of these methods spans a wide range, from drug target identification to hit discovery and lead optimization. In this review, we firstly provide an overview of China's status in this field and briefly analyze the possible reasons for this rapid advancement. The methodology development is then outlined. For each selected method, a short background precedes an assessment of the method with respect to the needs of drug discovery, and, in particular, work from China is highlighted. Furthermore, several successful applications of these methods are illustrated. Finally, we conclude with a discussion of current major challenges and future directions of the field.
Assessing Computational Methods of Cis-Regulatory Module Prediction
Su, Jing; Teichmann, Sarah A.; Down, Thomas A.
2010-01-01
Computational methods attempting to identify instances of cis-regulatory modules (CRMs) in the genome face a challenging problem of searching for potentially interacting transcription factor binding sites while knowledge of the specific interactions involved remains limited. Without a comprehensive comparison of their performance, the reliability and accuracy of these tools remains unclear. Faced with a large number of different tools that address this problem, we summarized and categorized them based on search strategy and input data requirements. Twelve representative methods were chosen and applied to predict CRMs from the Drosophila CRM database REDfly, and across the human ENCODE regions. Our results show that the optimal choice of method varies depending on species and composition of the sequences in question. When discriminating CRMs from non-coding regions, those methods considering evolutionary conservation have a stronger predictive power than methods designed to be run on a single genome. Different CRM representations and search strategies rely on different CRM properties, and different methods can complement one another. For example, some favour homotypical clusters of binding sites, while others perform best on short CRMs. Furthermore, most methods appear to be sensitive to the composition and structure of the genome to which they are applied. We analyze the principal features that distinguish the methods that performed well, identify weaknesses leading to poor performance, and provide a guide for users. We also propose key considerations for the development and evaluation of future CRM-prediction methods. PMID:21152003
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ALFRED: A Practical Method for Alignment-Free Distance Computation.
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.
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.
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
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.
Interpolated histogram method for area optimised median computation
NASA Astrophysics Data System (ADS)
Buch, Kaushal D.; Darji, Anand D.
2013-04-01
The article describes an area efficient algorithm for real-time approximate median computation on VLSI platforms. The improvement in performance and area optimisation are achieved through linear interpolation within a reduced number of histogram bins. In order to reduce the hardware utilisation further, an approximation technique for interpolation is also proposed. This approach extends the utility of the histogram method to data sets having a large dynamic range. The performance of the proposed algorithm in terms of mean squared error (MSE) and resource utilisation is provided and compared to that of the existing algorithms. This comparison indicates that more than 60% optimisation in resources is achieved with marginal compromise in the accuracy of the median. The proposed algorithm finds applications in the areas of image processing, time series analysis and median absolute deviation (MAD) computation.
Computational methods of the Advanced Fluid Dynamics Model
Bohl, W.R.; Wilhelm, D.; Parker, F.R.; Berthier, J.; Maudlin, P.J.; Schmuck, P.; Goutagny, L.; Ichikawa, S.; Ninokata, H.; Luck, L.B.
1987-01-01
To more accurately treat severe accidents in fast reactors, a program has been set up to investigate new computational models and approaches. The product of this effort is a computer code, the Advanced Fluid Dynamics Model (AFDM). This paper describes some of the basic features of the numerical algorithm used in AFDM. Aspects receiving particular emphasis are the fractional-step method of time integration, the semi-implicit pressure iteration, the virtual mass inertial terms, the use of three velocity fields, higher order differencing, convection of interfacial area with source and sink terms, multicomponent diffusion processes in heat and mass transfer, the SESAME equation of state, and vectorized programming. A calculated comparison with an isothermal tetralin/ammonia experiment is performed. We conclude that significant improvements are possible in reliably calculating the progression of severe accidents with further development.
Unified computational method for design of fluid loop systems
NASA Astrophysics Data System (ADS)
Furukawa, Masao
1991-12-01
Various kinds of empirical formulas of Nusselt numbers, fanning friction factors, and pressure loss coefficients were collected and reviewed with the object of constructing a common basis of design calculations of pumped fluid loop systems. The practical expressions obtained after numerical modifications are listed in tables with identification numbers corresponding to configurations of the flow passages. Design procedure of a cold plate and of a space radiator are clearly shown in a series of mathematical relations coupled with a number of detailed expressions which are put in the tables in order of numerical computations. Weight estimate models and several pump characteristics are given in the tables as a result of data regression. A unified computational method based upon the above procedure is presented for preliminary design analyses of a fluid loop system consisting of cold plates, plane radiators, mechanical pumps, valves, and so on.
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
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
Consensus methods: review of original methods and their main alternatives used in public health
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
Computation of multi-material interactions using point method
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
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.
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.
Structure-based Methods for Computational Protein Functional Site Prediction
Dukka, B KC
2013-01-01
Due to the advent of high throughput sequencing techniques and structural genomic projects, the number of gene and protein sequences has been ever increasing. Computational methods to annotate these genes and proteins are even more indispensable. Proteins are important macromolecules and study of the function of proteins is an important problem in structural bioinformatics. This paper discusses a number of methods to predict protein functional site especially focusing on protein ligand binding site prediction. Initially, a short overview is presented on recent advances in methods for selection of homologous sequences. Furthermore, a few recent structural based approaches and sequence-and-structure based approaches for protein functional sites are discussed in details. PMID:24688745
A novel computational method for comparing vibrational circular dichroism spectra.
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.
Review methods for image segmentation from computed tomography images
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.
Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems
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.
Computational methods for long mean free path problems
NASA Astrophysics Data System (ADS)
Christlieb, Andrew Jason
This document describes work being done on particle transport in long mean free path environments. Two non statistical computational models are developed based on the method of propagators, which can have significant advantages in accuracy and efficiency over other methods. The first model has been developed primarily for charged particle transport and the second primarily for neutral particle transport. Both models are intended for application to transport in complex geometry using irregular meshes. The transport model for charged particles was inspired by the notion of obtaining a simulation that could handle complex geometry and resolve the bulk and sheath characteristics of a discharge, in a reasonable amount of computation time. The charged particle transport model has been applied in a self- consistent manner to the ion motion in a low density inductively coupled discharge. The electrons were assumed to have a Boltzmann density distribution for the computation of the electric field. This work assumes cylindrical geometry and focuses on charge exchange collisions as the primary ion collisional effect that takes place in the discharge. The results are compared to fluid simulations. The neutral transport model was constructed to solve the steady state Boltzmann equation on 3-D arbitrary irregular meshes. The neutral transport model was developed with the intent of investigating gas glow on the scale of micro-electrical-mechanical systems (MEMS), and is meant for tracking multiple species. The advantage of these methods is that the step size is determined by the mean free path of the particles rather than the mesh employed in the simulation.
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.
A multigrid nonoscillatory method for computing high speed flows
NASA Technical Reports Server (NTRS)
Li, C. P.; Shieh, T. H.
1993-01-01
A multigrid method using different smoothers has been developed to solve the Euler equations discretized by a nonoscillatory scheme up to fourth order accuracy. The best smoothing property is provided by a five-stage Runge-Kutta technique with optimized coefficients, yet the most efficient smoother is a backward Euler technique in factored and diagonalized form. The singlegrid solution for a hypersonic, viscous conic flow is in excellent agreement with the solution obtained by the third order MUSCL and Roe's method. Mach 8 inviscid flow computations for a complete entry probe have shown that the accuracy is at least as good as the symmetric TVD scheme of Yee and Harten. The implicit multigrid method is four times more efficient than the explicit multigrid technique and 3.5 times faster than the single-grid implicit technique. For a Mach 8.7 inviscid flow over a blunt delta wing at 30 deg incidence, the CPU reduction factor from the three-level multigrid computation is 2.2 on a grid of 37 x 41 x 73 nodes.
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.
Method and apparatus for managing transactions with connected computers
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.
Assessment of nonequilibrium radiation computation methods for hypersonic flows
NASA Technical Reports Server (NTRS)
Sharma, Surendra
1993-01-01
The present understanding of shock-layer radiation in the low density regime, as appropriate to hypersonic vehicles, is surveyed. Based on the relative importance of electron excitation and radiation transport, the hypersonic flows are divided into three groups: weakly ionized, moderately ionized, and highly ionized flows. In the light of this division, the existing laboratory and flight data are scrutinized. Finally, an assessment of the nonequilibrium radiation computation methods for the three regimes in hypersonic flows is presented. The assessment is conducted by comparing experimental data against the values predicted by the physical model.
Compressive sampling in computed tomography: Method and application
NASA Astrophysics Data System (ADS)
Hu, Zhanli; Liang, Dong; Xia, Dan; Zheng, Hairong
2014-06-01
Since Donoho and Candes et al. published their groundbreaking work on compressive sampling or compressive sensing (CS), CS theory has attracted a lot of attention and become a hot topic, especially in biomedical imaging. Specifically, some CS based methods have been developed to enable accurate reconstruction from sparse data in computed tomography (CT) imaging. In this paper, we will review the progress in CS based CT from aspects of three fundamental requirements of CS: sparse representation, incoherent sampling and reconstruction algorithm. In addition, some potential applications of compressive sampling in CT are introduced.
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.
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.
A new method to compute lunisolar perturbations in satellite motions
NASA Technical Reports Server (NTRS)
Kozai, Y.
1973-01-01
A new method to compute lunisolar perturbations in satellite motion is proposed. The disturbing function is expressed by the orbital elements of the satellite and the geocentric polar coordinates of the moon and the sun. The secular and long periodic perturbations are derived by numerical integrations, and the short periodic perturbations are derived analytically. The perturbations due to the tides can be included in the same way. In the Appendix, the motion of the orbital plane for a synchronous satellite is discussed; it is concluded that the inclination cannot stay below 7 deg.
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.
Computational methods for studying G protein-coupled receptors (GPCRs).
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.
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.
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.
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
Multigrid Methods for the Computation of Propagators in Gauge Fields
NASA Astrophysics Data System (ADS)
Kalkreuter, Thomas
Multigrid methods were invented for the solution of discretized partial differential equations in order to overcome the slowness of traditional algorithms by updates on various length scales. In the present work generalizations of multigrid methods for propagators in gauge fields are investigated. Gauge fields are incorporated in algorithms in a covariant way. The kernel C of the restriction operator which averages from one grid to the next coarser grid is defined by projection on the ground-state of a local Hamiltonian. The idea behind this definition is that the appropriate notion of smoothness depends on the dynamics. The ground-state projection choice of C can be used in arbitrary dimension and for arbitrary gauge group. We discuss proper averaging operations for bosons and for staggered fermions. The kernels C can also be used in multigrid Monte Carlo simulations, and for the definition of block spins and blocked gauge fields in Monte Carlo renormalization group studies. Actual numerical computations are performed in four-dimensional SU(2) gauge fields. We prove that our proposals for block spins are “good”, using renormalization group arguments. A central result is that the multigrid method works in arbitrarily disordered gauge fields, in principle. It is proved that computations of propagators in gauge fields without critical slowing down are possible when one uses an ideal interpolation kernel. Unfortunately, the idealized algorithm is not practical, but it was important to answer questions of principle. Practical methods are able to outperform the conjugate gradient algorithm in case of bosons. The case of staggered fermions is harder. Multigrid methods give considerable speed-ups compared to conventional relaxation algorithms, but on lattices up to 184 conjugate gradient is superior.
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.
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...
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.
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.
Computational aeroacoustics applications based on a discontinuous Galerkin method
NASA Astrophysics Data System (ADS)
Delorme, Philippe; Mazet, Pierre; Peyret, Christophe; Ventribout, Yoan
2005-09-01
CAA simulation requires the calculation of the propagation of acoustic waves with low numerical dissipation and dispersion error, and to take into account complex geometries. To give, at the same time, an answer to both challenges, a Discontinuous Galerkin Method is developed for Computational AeroAcoustics. Euler's linearized equations are solved with the Discontinuous Galerkin Method using flux splitting technics. Boundary conditions are established for rigid wall, non-reflective boundary and imposed values. A first validation, for induct propagation is realized. Then, applications illustrate: the Chu and Kovasznay's decomposition of perturbation inside uniform flow in term of independent acoustic and rotational modes, Kelvin-Helmholtz instability and acoustic diffraction by an air wing. To cite this article: Ph. Delorme et al., C. R. Mecanique 333 (2005).
Data graphing methods, articles of manufacture, and computing devices
Wong, Pak Chung; Mackey, Patrick S.; Cook, Kristin A.; Foote, Harlan P.; Whiting, Mark A.
2016-12-13
Data graphing methods, articles of manufacture, and computing devices are described. In one aspect, a method includes accessing a data set, displaying a graphical representation including data of the data set which is arranged according to a first of different hierarchical levels, wherein the first hierarchical level represents the data at a first of a plurality of different resolutions which respectively correspond to respective ones of the hierarchical levels, selecting a portion of the graphical representation wherein the data of the portion is arranged according to the first hierarchical level at the first resolution, modifying the graphical representation by arranging the data of the portion according to a second of the hierarchal levels at a second of the resolutions, and after the modifying, displaying the graphical representation wherein the data of the portion is arranged according to the second hierarchal level at the second resolution.
Implicit extrapolation methods for multilevel finite element computations
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.
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.
Parallel computation of multigroup reactivity coefficient using iterative method
Susmikanti, Mike; Dewayatna, Winter
2013-09-09
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.
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.
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.…
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…
Matching wind turbine rotors and loads: computational methods for designers
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.
A computationally efficient spectral method for modeling core dynamics
NASA Astrophysics Data System (ADS)
Marti, P.; Calkins, M. A.; Julien, K.
2016-08-01
An efficient, spectral numerical method is presented for solving problems in a spherical shell geometry that employs spherical harmonics in the angular dimensions and Chebyshev polynomials in the radial direction. We exploit the three-term recurrence relation for Chebyshev polynomials that renders all matrices sparse in spectral space. This approach is significantly more efficient than the collocation approach and is generalizable to both the Galerkin and tau methodologies for enforcing boundary conditions. The sparsity of the matrices reduces the computational complexity of the linear solution of implicit-explicit time stepping schemes to O(N) operations, compared to O>(N2>) operations for a collocation method. The method is illustrated by considering several example problems of important dynamical processes in the Earth's liquid outer core. Results are presented from both fully nonlinear, time-dependent numerical simulations and eigenvalue problems arising from the investigation of the onset of convection and the inertial wave spectrum. We compare the explicit and implicit temporal discretization of the Coriolis force; the latter becomes computationally feasible given the sparsity of the differential operators. We find that implicit treatment of the Coriolis force allows for significantly larger time step sizes compared to explicit algorithms; for hydrodynamic and dynamo problems at an Ekman number of E=10-5, time step sizes can be increased by a factor of 3 to 16 times that of the explicit algorithm, depending on the order of the time stepping scheme. The implementation with explicit Coriolis force scales well to at least 2048 cores, while the implicit implementation scales to 512 cores.
Discrete Logarithms in Finite Fields Some Algorithms for Computing New Public Key Cryptosystem
NASA Astrophysics Data System (ADS)
Trendafilov, Ivan D.; Durcheva, Mariana I.
2010-10-01
Let p be a prime, Fp be a finite field, g be a primitive element of Fp and let h be a nonzero element of Fp. The discrete logarithm problem (DLP) is the problem of finding that an exponent k for which gk≡h (mod p). The well-known problem of computing discrete logarithms has additional importance in recent years due to its applicability in cryptography. Several cryptographic systems would become insecure if an efficient discrete logarithm algorithm were discovered. In this paper are discused some known algorithms in this area. Most public key cryptosystems have been constructed based on abelian groups. Here we introduce how the discrete logarithm problem over a group can be seen as a special instance of an action by an abelian semigroup on finite set. The proposed new public key cryptosystem generalized the semigroup action problem due to Rosenlicht (see [8]) and shows how every semigroup action by an abelian semigroup gives rise to a Diffie-Hellman key exchange.
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)...
Buffa, Annalisa; Bochev, Pavel Blagoveston; Scovazzi, Guglielmo; Hughes, Thomas J. R.
2005-03-01
Proliferation of degrees-of-freedom has plagued discontinuous Galerkin methodology from its inception over 30 years ago. This paper develops a new computational formulation that combines the advantages of discontinuous Galerkin methods with the data structure of their continuous Galerkin counterparts. The new method uses local, element-wise problems to project a continuous finite element space into a given discontinuous space, and then applies a discontinuous Galerkin formulation. The projection leads to parameterization of the discontinuous degrees-of-freedom by their continuous counterparts and has a variational multiscale interpretation. This significantly reduces the computational burden and, at the same time, little or no degradation of the solution occurs. In fact, the new method produces improved solutions compared with the traditional discontinuous Galerkin method in some situations.
Sangalli, Giancarlo; Buffa, Annalisa; Bochev, Pavel Blagoveston; Scovazzi, Guglielmo; Hughes, Thomas J. R.
2005-07-01
Proliferation of degrees-of-freedom has plagued discontinuous Galerkin methodology from its inception over 30 years ago. This paper develops a new computational formulation that combines the advantages of discontinuous Galerkin methods with the data structure of their continuous Galerkin counterparts. The new method uses local, element-wise problems to project a continuous finite element space into a given discontinuous space, and then applies a discontinuous Galerkin formulation. The projection leads to parameterization of the discontinuous degrees-of-freedom by their continuous counterparts and has a variational multiscale interpretation. This significantly reduces the computational burden and, at the same time, little or no degradation of the solution occurs. In fact, the new method produces improved solutions compared with the traditional discontinuous Galerkin method in some situations.
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,…
Computational Methods and Challenges for Large-Scale Circuit Mapping
Helmstaedter, Moritz; Mitra, Partha
2012-01-01
Summary The connectivity architecture of neuronal circuits is essential to understand how brains work, yet our knowledge about the neuronal wiring diagrams remains limited and partial. Technical breakthroughs in labeling and imaging methods starting more than a century ago have advanced knowledge in the field. However, the volume of data associated with imaging a whole brain or a significant fraction thereof, with electron or light microscopy, has only recently become amenable to digital storage and analysis. A mouse brain imaged at light microscopic resolution is about a terabyte of data, and 1 mm3 of the brain at EM resolution is about half a petabyte. This has given rise to a new field of research, computational analysis of large scale neuroanatomical data sets, with goals that include reconstructions of the morphology of individual neurons as well as entire circuits. The problems encountered include large data management, segmentation and 3D reconstruction, computational geometry and workflow management allowing for hybrid approaches combining manual and algorithmic processing. Here we review this growing field of neuronal data analysis with emphasis on reconstructing neurons from EM data cubes. PMID:22221862
Methods for increased computational efficiency of multibody simulations
NASA Astrophysics Data System (ADS)
Epple, Alexander
This thesis is concerned with the efficient numerical simulation of finite element based flexible multibody systems. Scaling operations are systematically applied to the governing index-3 differential algebraic equations in order to solve the problem of ill conditioning for small time step sizes. The importance of augmented Lagrangian terms is demonstrated. The use of fast sparse solvers is justified for the solution of the linearized equations of motion resulting in significant savings of computational costs. Three time stepping schemes for the integration of the governing equations of flexible multibody systems are discussed in detail. These schemes are the two-stage Radau IIA scheme, the energy decaying scheme, and the generalized-a method. Their formulations are adapted to the specific structure of the governing equations of flexible multibody systems. The efficiency of the time integration schemes is comprehensively evaluated on a series of test problems. Formulations for structural and constraint elements are reviewed and the problem of interpolation of finite rotations in geometrically exact structural elements is revisited. This results in the development of a new improved interpolation algorithm, which preserves the objectivity of the strain field and guarantees stable simulations in the presence of arbitrarily large rotations. Finally, strategies for the spatial discretization of beams in the presence of steep variations in cross-sectional properties are developed. These strategies reduce the number of degrees of freedom needed to accurately analyze beams with discontinuous properties, resulting in improved computational efficiency.
GRACE: Public Health Recovery Methods following an Environmental Disaster
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
Search systems and computer-implemented search methods
Payne, Deborah A.; Burtner, Edwin R.; Hampton, Shawn D.; Gillen, David S.; Henry, Michael J.
2017-03-07
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.
Search systems and computer-implemented search methods
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.
Methods and computer readable medium for improved radiotherapy dosimetry planning
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.
Computational Methods for Sensitivity and Uncertainty Analysis in Criticality Safety
Broadhead, B.L.; Childs, R.L.; Rearden, B.T.
1999-09-20
Interest in the sensitivity methods that were developed and widely used in the 1970s (the FORSS methodology at ORNL among others) has increased recently as a result of potential use in the area of criticality safety data validation procedures to define computational bias, uncertainties and area(s) of applicability. Functional forms of the resulting sensitivity coefficients can be used as formal parameters in the determination of applicability of benchmark experiments to their corresponding industrial application areas. In order for these techniques to be generally useful to the criticality safety practitioner, the procedures governing their use had to be updated and simplified. This paper will describe the resulting sensitivity analysis tools that have been generated for potential use by the criticality safety community.
Modern wing flutter analysis by computational fluid dynamics methods
NASA Technical Reports Server (NTRS)
Cunningham, Herbert J.; Batina, John T.; Bennett, Robert M.
1988-01-01
The application and assessment of the recently developed CAP-TSD transonic small-disturbance code for flutter prediction is described. The CAP-TSD code has been developed for aeroelastic analysis of complete aircraft configurations and was previously applied to the calculation of steady and unsteady pressures with favorable results. Generalized aerodynamic forces and flutter characteristics are calculated and compared with linear theory results and with experimental data for a 45 deg sweptback wing. These results are in good agreement with the experimental flutter data which is the first step toward validating CAP-TSD for general transonic aeroelastic applications. The paper presents these results and comparisons along with general remarks regarding modern wing flutter analysis by computational fluid dynamics methods.
Computing Correlations with Q-Sort Data for McQuitty's Pattern-Analytic Methods
ERIC Educational Resources Information Center
Lee, Jae-Won
1977-01-01
McQuitty has developed a number of pattern analytic methods that can be computed by hand, but the matrices of associations used in these methods cannot be so readily computed. A simplified but exact method of computing product moment correlations based on Q sort data for McQuitty's methods is described. (Author/JKS)
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...
Emerging Computational Methods for the Rational Discovery of Allosteric Drugs
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
Matching wind turbine rotors and loads: Computational methods for designers
NASA Astrophysics Data System (ADS)
Seale, J. B.
1983-04-01
A comprehensive method for matching wind energy conversion system (WECS) rotors with the load characteristics of common electrical and mechanical applications was reported. A method was developed to convert the data into useful results: (1) from turbine efficiency and load torque characteristics, turbine power is predicted as a function of windspeed; (2) it is decided how turbine power is to be governed 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 are used to predict longterm energy output. Most systems are approximated by a graph and calculator approach. The method leads to energy predictions, and to insight into modeled processes. 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 with 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.
Optimal pulse design in quantum control: A unified computational method
Li, Jr-Shin; Ruths, Justin; Yu, Tsyr-Yan; Arthanari, Haribabu; Wagner, Gerhard
2011-01-01
Many key aspects of control of quantum systems involve manipulating a large quantum ensemble exhibiting variation in the value of parameters characterizing the system dynamics. Developing electromagnetic pulses to produce a desired evolution in the presence of such variation is a fundamental and challenging problem in this research area. We present such robust pulse designs as an optimal control problem of a continuum of bilinear systems with a common control function. We map this control problem of infinite dimension to a problem of polynomial approximation employing tools from geometric control theory. We then adopt this new notion and develop a unified computational method for optimal pulse design using ideas from pseudospectral approximations, by which a continuous-time optimal control problem of pulse design can be discretized to a constrained optimization problem with spectral accuracy. Furthermore, this is a highly flexible and efficient numerical method that requires low order of discretization and yields inherently smooth solutions. We demonstrate this method by designing effective broadband π/2 and π pulses with reduced rf energy and pulse duration, which show significant sensitivity enhancement at the edge of the spectrum over conventional pulses in 1D and 2D NMR spectroscopy experiments. PMID:21245345
A Computational Method for Analyzing the Biomechanics of Heart Murmurs.
Zhu, Chi; Seo, Jung-Hee; Bakhshaee, Hani; Mittal, Rajat
2017-03-17
A computational framework consisting of a one-way coupled hemodynamic-acoustic method and a wave-decomposition based post-processing approach is developed to investigate the biomechanics of arterial bruits. This framework is then applied to studying the effect of the shear wave on the generation and propagation of bruits from a modeled stenosed artery. The blood flow in the artery is solved by an immersed boundary method (IBM) based incompressible flow solver. The sound generation and propagation in the blood volume is modeled by the linearized perturbed compressible equations, while the sound propagation through the surrounding tissue is modeled by the linear elastic wave equation. A decomposition method is employed to separate the acoustic signal into a compression/longitudinal component (curl free) and a shear/transverse component (divergence free), and the sound signals from cases with and without the shear modulus are monitored on the epidermal surface and are analyzed to reveal the influence of the shear wave. The results show that the compression wave dominates the detected sound signal in the immediate vicinity of the stenosis whereas the shear wave has more influence on surface signals further downstream of the stenosis. The implications of these results on cardiac auscultation are discussed.
Computational alanine scanning with linear scaling semiempirical quantum mechanical methods.
Diller, David J; Humblet, Christine; Zhang, Xiaohua; Westerhoff, Lance M
2010-08-01
Alanine scanning is a powerful experimental tool for understanding the key interactions in protein-protein interfaces. Linear scaling semiempirical quantum mechanical calculations are now sufficiently fast and robust to allow meaningful calculations on large systems such as proteins, RNA and DNA. In particular, they have proven useful in understanding protein-ligand interactions. Here we ask the question: can these linear scaling quantum mechanical methods developed for protein-ligand scoring be useful for computational alanine scanning? To answer this question, we assembled 15 protein-protein complexes with available crystal structures and sufficient alanine scanning data. In all, the data set contains Delta Delta Gs for 400 single point alanine mutations of these 15 complexes. We show that with only one adjusted parameter the quantum mechanics-based methods outperform both buried accessible surface area and a potential of mean force and compare favorably to a variety of published empirical methods. Finally, we closely examined the outliers in the data set and discuss some of the challenges that arise from this examination.
47 CFR 80.771 - Method of computing coverage.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 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...
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...
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...
An Introductory Course in Dental Computing and Research Methods.
ERIC Educational Resources Information Center
Joshi, Anil; Douglass, Chester W.
1992-01-01
A Harvard School of Dental Medicine introductory course in computer basics and providing computer-assisted instruction in scientific research methodology is described and evaluated. Most students found the coursework difficult, and only one-quarter found it relevant. Integration of computer science into content-area courses is recommended. (MSE)
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.
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.
Gravitational stability computed through the limit equilibrium method revisited
NASA Astrophysics Data System (ADS)
Tinti, Stefano; Manucci, Anna
2006-01-01
The stability of slopes is a problem of great relevance for geologists and geophysicists as well as for geotechnical and geoenvironmental engineers. The classical approaches are the method of limit equilibrium, and the finite-element and finite-difference analyses of deformations. Since the former is computationally simpler and less expensive, it is more widely used in common practice, though it has some weakness points from a theoretical point of view. Essential in this technique is the definition and computation of the factor of safety F for the slope, a parameter indicating that the slope is stable, if it is larger than unity. The method is known to have not a unique solution, but it is common belief that the safety factors associated with all the solutions fulfilling the basic equilibrium equations do not differ more than 5-10 per cent from each other, which is a range of variability considered acceptable by most. Here the non-uniqueness of the solution is discussed, and it is shown that the magnitude range of F can be so large as to undermine the meaning of the safety factor criterion. The classical limit equilibrium methods based on the assumptions of cutting the sliding body into a set of vertical slices are revised, and the new concept of minimum lithostatic deviation (MLD) is introduced as a means to mitigate the effect of non-uniqueness. The paper suggests that the proper solution to the problem is the one that satisfies the equilibrium equations and minimizes the lithostatic deviation that is defined here as the ratio of the average intensity of the interslice forces and the total weight of the body. Accordingly, the factor of safety F associated with such a solution is suggested to be the value appropriate to evaluate the stability of the slope. Remarkably, the MLD principle gives us the means to introduce a completely revolutionary approach to study stability. We derive expressions that account for gravitational loading, and for additional effects such
Development of computational methods for heavy lift launch vehicles
NASA Technical Reports Server (NTRS)
Yoon, Seokkwan; Ryan, James S.
1993-01-01
The research effort has been focused on the development of an advanced flow solver for complex viscous turbulent flows with shock waves. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. A new computer program named CENS3D has been developed for viscous turbulent flows with discontinuities. Details of the code are described in Appendix A and Appendix B. With the developments of the numerical algorithm and dissipation model, the simulation of three-dimensional viscous compressible flows has become more efficient and accurate. The results of the research are expected to yield a direct impact on the design process of future liquid fueled launch systems.
Gyrokinetic Theory and Computational Methods for Electromagnetic Perturbations in Tokamaks
NASA Astrophysics Data System (ADS)
Qin, H.; Tang, W. M.; Rewoldt, G.
1998-11-01
A general gyrokinetic formalism and computational methods have been developed for electromagnetic perturbations in toroidal plasmas. This formalism and the associated numerical code represent the first self-consistent, comprehensive, fully kinetic model for treating both MHD instabilities and electromagnetic drift waves(H. Qin, W. M. Tang, and G. Rewoldt, Phys. Plasmas 5), 1035 (1998). The gyrokinetic system of equations is derived by phase-space Lagrangian Lie perturbation methods. An important component missing from previous gyrokinetic theories, the gyrokinetic perpendicular dynamics, is identified and developed. The corresponding numerical code, KIN-2DEM, has been systematically benchmarked against the high-n FULL code, the PEST code, and the NOVA-K code for kinetic ballooning modes, internal kink modes, and TAEs, respectively. For the internal kink mode, it is found that kinetic effects due to trapped ions can significantly modify the γ vs. q0 curve. For the destabilization of the TAEs by energetic particles, comparisons have been made between the non-perturbative, fully kinetic KIN-2DEM results and the perturbative hybrid NOVA-K results.
Semi-coarsening multigrid methods for parallel computing
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.
A stoichiometric calibration method for dual energy computed tomography
NASA Astrophysics Data System (ADS)
Bourque, Alexandra E.; Carrier, Jean-François; Bouchard, Hugo
2014-04-01
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 generic
Interactive computer methods for generating mineral-resource maps
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.
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…
2006-02-01
International Journal of Computational Methods for...Fluids, in review. "* V. Prabhakar and J. N. Reddy, "Orthogonality of Modal Bases," International Journal of Computational Methods for Fluids...Least-Squares Finite Element Model for Incompressible Navier-Stokes Equations," International Journal of Computational Methods for Fluids, in review.
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...
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...
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...
Digital stress-echocardiography using a public domain program for the Macintosh personal computer.
Albiero, R; Variola, A; Dander, B; Buonanno, C
1995-12-01
Left ventricular wall motion abnormalities secondary to stress-induced myocardial ischemia can be detected with difficulty by mentally comparing echocardiographic images sequentially recorded on videotape. Digital stress-echocardiography, a combination of ultrasound imaging and digital archiving technologies, at least partially can overcome this problem: the technique is based on reviewing images at rest and after stress (exercise or pharmacological) side by side in dual- or quad-screen digital format, in a synchronized cine-loop, as if obtained simultaneously. This technique however is presently not widely used, due to the high cost of most commercially available systems. We have developed a digital stress-echo system, which is easy to use and relatively inexpensive, running on a Macintosh II personal computer with 8-bit graphics. The 2-D echocardiographic images recorded on videotape are digitized offline using a video digitizing board. The image can be displayed and analyzed using the public domain NIH image software developed by Wayne Rasband, without loss in image quality and resolution, particularly if using Super-VHS videotape. We have made a macro procedure for the montage in a quad-screen format of four digital recorded echocardiographic cardiac cycles of six frames that takes only a little more time than commercially available systems. In conclusion, the use of a personal computer and low-cost software may help to make digital stress-echo techniques more widely feasible in the clinical setting and increase the diagnostic power of the ultrasound technique in the evaluation of patients with known or suspected coronary artery disease.
Public-Private Partnerships in Cloud-Computing Services in the Context of Genomic Research.
Granados Moreno, Palmira; Joly, Yann; Knoppers, Bartha Maria
2017-01-01
Public-private partnerships (PPPs) have been increasingly used to spur and facilitate innovation in a number of fields. In healthcare, the purpose of using a PPP is commonly to develop and/or provide vaccines and drugs against communicable diseases, mainly in developing or underdeveloped countries. With the advancement of technology and of the area of genomics, these partnerships also focus on large-scale genomic research projects that aim to advance the understanding of diseases that have a genetic component and to develop personalized treatments. This new focus has created new forms of PPPs that involve information technology companies, which provide computing infrastructure and services to store, analyze, and share the massive amounts of data genomic-related projects produce. In this article, we explore models of PPPs proposed to handle, protect, and share the genomic data collected and to further develop genomic-based medical products. We also identify the reasons that make these models suitable and the challenges they have yet to overcome. To achieve this, we describe the details and complexities of MSSNG, International Cancer Genome Consortium, and 100,000 Genomes Project, the three PPPs that focus on large-scale genomic research to better understand the genetic components of autism, cancer, rare diseases, and infectious diseases with the intention to find appropriate treatments. Organized as PPP and employing cloud-computing services, the three projects have advanced quickly and are likely to be important sources of research and development for future personalized medicine. However, there still are unresolved matters relating to conflicts of interest, commercialization, and data control. Learning from the challenges encountered by past PPPs allowed us to establish that developing guidelines to adequately manage personal health information stored in clouds and ensuring the protection of data integrity and privacy would be critical steps in the development of
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
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.
Validation of viscous and inviscid computational methods for turbomachinery components
NASA Technical Reports Server (NTRS)
Povinelli, L. A.
1986-01-01
An assessment of several three-dimensional computer codes used at the NASA Lewis Research Center is presented. Four flow situations are examined, for which both experimental data and computational results are available. The four flows form a basis for the evaluation of the computational procedures. It is concluded that transonic rotor flow at peak efficiency conditions may be calculated with a reasonable degree of accuracy, whereas, off-design conditions are not accurately determined. Duct flows and turbine cascade flows may also be computed with reasonable accuracy whereas radial inflow turbine flow remains a challenging problem.
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.
Formulations and computational methods for contact problems in solid mechanics
NASA Astrophysics Data System (ADS)
Mirar, Anand Ramchandra
2000-11-01
A study of existing formulations and computational methods for contact problems is conducted. The purpose is to gain insights into the solution procedures and pinpoint their limitations so that alternate procedures can be developed. Three such procedures based on the augmented Lagrangian method (ALM) are proposed. Small-scale benchmark problems are solved analytically as well as numerically to study the existing and proposed methods. The variational inequality formulation for frictionless contact is studied using the two bar truss-wall problem in a closed form. Sub-differential formulation is investigated using the spring-wall contact and the truss-wall friction problems. A two-phase analytical procedure is developed for solving the truss-wall frictional contact benchmark problem. The variational equality formulation for contact problems is studied using the penalty method along with the Newton-Raphson procedure. Limitations of such procedures, mainly due to their dependence on the user defined parameters (i.e., the penalty values and the number of time steps), are identified. Based on the study it is concluded that alternate formulations need to be developed. Frictionless contact formulation is developed using the basic concepts of ALM from optimization theory. A new frictional contact formulation (ALM1) is then developed employing ALM. Automatic penalty update procedure is used to eliminate dependence of the solution on the penalty values. Dependence of the solution on the number of time steps in the existing as well as ALM1 formulations is attributed to a flaw in the return mapping procedure for friction. Another new frictional contact formulation (ALM2) is developed to eliminate the dependence of solution on the number of time steps along with the penalty values. Effectiveness of ALM2 is demonstrated by solving the two bar and five bar truss-wall problems. The solutions are compared with the analytical and existing formulations. Design sensitivity analysis of
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.
Federal Register 2010, 2011, 2012, 2013, 2014
2011-11-01
... has been developed through a transparent working group process, which included five NIST Cloud Computing Working Groups that were established in November 2010. DATES: Comments must be received on or... management effort or service provider interaction.'' Special Publication 800-145 (Draft). \\2\\ Office...
Evaluating Computer Automated Scoring: Issues, Methods, and an Empirical Illustration
ERIC Educational Resources Information Center
Yang, Yongwei; Buckendahl, Chad W.; Juszkiewicz, Piotr J.; Bhola, Dennison S.
2005-01-01
With the continual progress of computer technologies, computer automated scoring (CAS) has become a popular tool for evaluating writing assessments. Research of applications of these methodologies to new types of performance assessments is still emerging. While research has generally shown a high agreement of CAS system generated scores with those…
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…
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…
Gyrokinetic theory and computational methods for electromagnetic perturbations in tokamaks
NASA Astrophysics Data System (ADS)
Qin, Hong
A general gyrokinetic formalism and appropriate computational methods have been developed for electromagnetic perturbations in toroidal plasmas. This formalism and associated numerical code represent the first self-consistent, comprehensive, fully kinetic model for treating both magnetohydrodynamic (MHD) instabilities and electromagnetic drift waves. The gyrokinetic system of equation is derived by phase- space Lagrangian Lie perturbation methods which enable applications to modes with arbitrary wavelength. An important component missing from previous electromagnetic gyrokinetic theories, the gyrokinetic perpendicular dynamics, is identified and developed in the present analysis. This is accomplished by introducing a new ``distribution function'' and an associated governing gyrokinetic equation. Consequently, the compressional Alfvén waves and cyclotron waves can be systematically treated. The new insights into the gyrokinetic perpendicular dynamics uncovered here clarify the understanding of the gyrokinetic approach-the real spirit of the gyrokinetic reduction is to decouple the gyromotion from the guiding center orbital motion, instead of averaging it out. The gyrokinetic perpendicular dynamics is in fact essential to the recovery of the MHD model from a fully kinetic derivation. In particular, it serves to generalize, in gyrokinetic framework, Spitzer's solution of the fluid/particle paradox to a broader regime of applicability. The gyrokinetic system is also shown to be reducible to a simpler form to deal with shear Alfvén waves. This consists of an appropriate form of the gyrokinetic equation governing the distribution function, the gyrokinetic Poisson equation, and a newly derived gyrokinetic moment equation. If all of the kinetic effects are neglected, the gyrokinetic moment equation is shown to recover the ideal MHD equation for shear Alfvén modes. In addition, a gyrokinetic Ohm's law, including both the perpendicular and the parallel components, is
Four-stage computational technology with adaptive numerical methods for computational aerodynamics
NASA Astrophysics Data System (ADS)
Shaydurov, V.; Liu, T.; Zheng, Z.
2012-10-01
Computational aerodynamics is a key technology in aircraft design which is ahead of physical experiment and complements it. Of course all three components of computational modeling are actively developed: mathematical models of real aerodynamic processes, numerical algorithms, and high-performance computing. The most impressive progress has been made in the field of computing, though with a considerable complication of computer architecture. Numerical algorithms are developed more conservative. More precisely, they are offered and theoretically justified for more simple mathematical problems. Nevertheless, computational mathematics now has amassed a whole palette of numerical algorithms that can provide acceptable accuracy and interface between modern mathematical models in aerodynamics and high-performance computers. A significant step in this direction was the European Project ADIGMA whose positive experience will be used in International Project TRISTAM for further movement in the field of computational technologies for aerodynamics. This paper gives a general overview of objectives and approaches intended to use and a description of the recommended four-stage computer technology.
Code of Federal Regulations, 2010 CFR
2010-10-01
... SERVICES Payment Methods: General Provisions § 447.205 Public notice of changes in Statewide methods and... published before the proposed effective date of the change; and (2) Appear as a public announcement in one... 42 Public Health 4 2010-10-01 2010-10-01 false Public notice of changes in Statewide methods...
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…
A Study into Advanced Guidance Laws Using Computational Methods
2011-12-01
computing aerodynamic forces % and moments. Except where noted, all dimensions in % MKS system. % Inputs...9] R. L. Shaw, Fighter Combat: Tactics and Maneuvering. Annapolis, MD: Naval Institute Press, 1988. [10] U. S. Shukla and P. R. Mahapatra
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.
Protein stability: computation, sequence statistics, and new experimental methods
Magliery, Thomas J.
2015-01-01
Calculating protein stability and predicting stabilizing mutations remain exceedingly difficult tasks, largely due to the inadequacy of potential functions, the difficulty of modeling entropy and the unfolded state, and challenges of sampling, particularly of backbone conformations. Yet, computational design has produced some remarkably stable proteins in recent years, apparently owing to near ideality in structure and sequence features. With caveats, computational prediction of stability can be used to guide mutation, and mutations derived from consensus sequence analysis, especially improved by recent co-variation filters, are very likely to stabilize without sacrificing function. The combination of computational and statistical approaches with library approaches, including new technologies such as deep sequencing and high throughput stability measurements, point to a very exciting near term future for stability engineering, even with difficult computational issues remaining. PMID:26497286
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.
Do public reports of provider performance make their data and methods available and accessible?
Damberg, Cheryl L; Hyman, David; France, Julie
2014-10-01
Public reports of provider performance are widespread and the methods used to generate the provider ratings differ across the sponsoring entities. We examined 115 hospital and 27 physician public reports to determine whether report sponsors made the methods used to score providers available and accessible. While nearly all websites made transparent some of the methods used to assess provider performance, we found substantial variation in the extent to which they fully adhered to recommended methods elements identified in the Consumer-Purchaser Disclosure Project's Patient Charter for performance reporting. Most public reports provided descriptions of the data sources, whether measures were endorsed, and the attribution approach. Least often made transparent were methods descriptions related to advanced provider review and reconsideration of results, reliability assessment, and case-mix adjustment. Future research should do more to identify the core elements that would lead consumer end users to have confidence in public reports.
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.
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.
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
Gilson, Michael K; Liu, Tiqing; Baitaluk, Michael; Nicola, George; Hwang, Linda; Chong, Jenny
2016-01-04
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.
Advanced Overset Grid Methods For Massively Parallel Rotary Wing Computations
2014-08-18
in 2- D for cell-centered unstructured grid show feasibility of this approach and improvements in predictions when compared with conventional... D for cell-centered unstructured grid show feasibility of this approach and improvements in predictions when compared with conventional overset...Proceeding publications (other than abstracts): ( d ) Manuscripts Received Paper TOTAL: Received Paper TOTAL: Received Paper TOTAL: Received Book TOTAL
Recent advances in computational methods for nuclear magnetic resonance data processing.
Gao, Xin
2013-02-01
Although three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.
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.
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.
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…
Multigrid Methods on Parallel Computers: A Survey on Recent Developments
1990-12-01
multi- color (red-black, four color etc.) order- ing of the grid points. Clearly, computation of defects, interpolation and restriction can be also...73716 72555 .984 85750 82919 95800 85206 .889 113086 97406 16406 16383 .999 22042 21845 23024 21853 .949 31668 29143 Table 6: Evaluated time
Computer-Graphics and the Literary Construct: A Learning Method.
ERIC Educational Resources Information Center
Henry, Avril
2002-01-01
Describes an undergraduate student module that was developed at the University of Exeter (United Kingdom) in which students made their own computer graphics to discover and to describe literary structures in texts of their choice. Discusses learning outcomes and refers to the Web site that shows students' course work. (Author/LRW)
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…
Computed tomography as a definitive method for diagnosing gastrointestinal lipomas
Heiken. J.P.; Forde, K.A; Gold, R.P.
1982-02-01
Four cases of gastrointestinal lipoma that were demonstrated by computed tomography (CT) are presented. Until now, definitive diagnosis of gastrointestinal lipomas has required fiberoptic endoscopy, biopsy, or surgical excision. The results of this study indicate that CT may become a definitive diagnostic examination for lipomas of the gastrointestinal tract.
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.
Verifying a computational method for predicting extreme ground motion
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.
NASA Astrophysics Data System (ADS)
Hirsch, Ch.; Periaux, J.; Onate, E.
A conference on computational fluid dynamics and numerical methods in engineering produced on topics that included turbulent flows, combustion, hypersonic reacting flows, atmospheric dispersion, multiphase flows, grid generation and adapation, numerical modeling of composite structures, shape optimization, semiconductors, and domain decomposition methods. For individual titles, see A95-87553 through A95-87567.
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)
Nishimaru, Eiji; Ichikawa, Katsuhiro; Hara, Takanori; Terakawa, Shoichi; Yokomachi, Kazushi; Fujioka, Chikako; Kiguchi, Masao; Ishifuro, Minoru
2012-01-01
Adaptive iterative reconstruction techniques (IRs) can decrease image noise in computed tomography (CT) and are expected to contribute to reduction of the radiation dose. To evaluate the performance of IRs, the conventional two-dimensional (2D) noise power spectrum (NPS) is widely used. However, when an IR provides an NPS value drop at all spatial frequency (which is similar to NPS changes by dose increase), the conventional method cannot evaluate the correct noise property because the conventional method does not correspond to the volume data natures of CT images. The purpose of our study was to develop a new method for NPS measurements that can be adapted to IRs. Our method utilized thick multi-planar reconstruction (MPR) images. The thick images are generally made by averaging CT volume data in a direction perpendicular to a MPR plane (e.g. z-direction for axial MPR plane). By using this averaging technique as a cutter for 3D-NPS, we can obtain adequate 2D-extracted NPS (eNPS) from 3D NPS. We applied this method to IR images generated with adaptive iterative dose reduction 3D (AIDR-3D, Toshiba) to investigate the validity of our method. A water phantom with 24 cm-diameters was scanned at 120 kV and 200 mAs with a 320-row CT (Acquilion One, Toshiba). From the results of study, the adequate thickness of MPR images for eNPS was more than 25.0 mm. Our new NPS measurement method utilizing thick MPR images was accurate and effective for evaluating noise reduction effects of IRs.
A method for computing the leading-edge suction in a higher-order panel method
NASA Technical Reports Server (NTRS)
Ehlers, F. E.; Manro, M. E.
1984-01-01
Experimental data show that the phenomenon of a separation induced leading edge vortex is influenced by the wing thickness and the shape of the leading edge. Both thickness and leading edge shape (rounded rather than point) delay the formation of a vortex. Existing computer programs used to predict the effect of a leading edge vortex do not include a procedure for determining whether or not a vortex actually exists. Studies under NASA Contract NAS1-15678 have shown that the vortex development can be predicted by using the relationship between the leading edge suction coefficient and the parabolic nose drag. The linear theory FLEXSTAB was used to calculate the leading edge suction coefficient. This report describes the development of a method for calculating leading edge suction using the capabilities of the higher order panel methods (exact boundary conditions). For a two dimensional case, numerical methods were developed using the double strength and downwash distribution along the chord. A Gaussian quadrature formula that directly incorporates the logarithmic singularity in the downwash distribution, at all panel edges, was found to be the best method.
Methods in Computational Neuroscience: Marine Biology Laboratory Student Projects
1988-11-01
models of hippocampal subsystems, a model of single CA3 and CAt pyramidal neurons was constructed with GENESIS. Biophysical and electrophysiological data...intrinsic to the hippocampus. The circuit included a CAl pyramidal cell and two inhibitory interneurons , one feed-forward, one feedback. Using known... electrophysiological results obtained from detailed experiments for this visual system, the neural network simulator GENESIS has been used during the Computational
Computational Methods for the Analysis of Array Comparative Genomic Hybridization
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
From Image Analysis to Computer Vision: Motives, Methods, and Milestones.
1998-07-01
images. Initially, work on digital image analysis dealt with specific classes of images such as text, photomicrographs, nuclear particle tracks, and aerial...photographs; but by the 1960’s, general algorithms and paradigms for image analysis began to be formulated. When the artificial intelligence...scene, but eventually from image sequences obtained by a moving camera; at this stage, image analysis had become scene analysis or computer vision
Explicit Building Block Multiobjective Evolutionary Computation: Methods and Applications
2005-06-16
dominance-compliant quality indicators suggested are heeded. Ziztler also supports this suggestion of having certain quality indicators and adver - tises that...of military targets within an urban environment. 7.1 Urban Environment One of the most adverse environments for targeting and maneuvering is urban...Defense Immune System: an artificial immune system for virus and computer intrusion detection. The approach vaccinates the system by evolving an
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.
Computational Systems Biology in Cancer: Modeling Methods and Applications
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
Advanced Computational Methods for Security Constrained Financial Transmission Rights
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.
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.
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.
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.
ERIC Educational Resources Information Center
McInturff, Johanna R.
Information is provided on a practicum that addressed the lack of access to computer-aided instruction by elementary level students with learning disabilities, due to lack of diverse software, limited funding, and insufficient teacher training. The strategies to improve the amount of access time included: increasing the number of computer programs…
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…
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.
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.
Bader, S. A.
1993-01-01
A generalized perception exists that faculty will not be properly rewarded for efforts in developing computer-based educational materials. Faculty governed by traditional promotion and tenure systems thus may be reluctant to devote energies towards development of these materials. Recent national panels on educational reform have called for a reexamination of academic reward structures to insure that faculty receive appropriate scholarly recognition for materials developed in these new formats. A study of policy documents from accredited medical colleges in the United States was conducted to determine the extent to which academic health science institutions have adopted policies to grant recognition of computer-based materials equivalent to that accorded traditional print publications. Results revealed that while some progress has been made by leading-edge institutions, in three-quarters of the institutions, development of computer-based educational materials is considered evidence in support of teaching, not the more highly rewarded research or scholarly activity. PMID:8130576
An historical survey of computational methods in optimal control.
NASA Technical Reports Server (NTRS)
Polak, E.
1973-01-01
Review of some of the salient theoretical developments in the specific area of optimal control algorithms. The first algorithms for optimal control were aimed at unconstrained problems and were derived by using first- and second-variation methods of the calculus of variations. These methods have subsequently been recognized as gradient, Newton-Raphson, or Gauss-Newton methods in function space. A much more recent addition to the arsenal of unconstrained optimal control algorithms are several variations of conjugate-gradient methods. At first, constrained optimal control problems could only be solved by exterior penalty function methods. Later algorithms specifically designed for constrained problems have appeared. Among these are methods for solving the unconstrained linear quadratic regulator problem, as well as certain constrained minimum-time and minimum-energy problems. Differential-dynamic programming was developed from dynamic programming considerations. The conditional-gradient method, the gradient-projection method, and a couple of feasible directions methods were obtained as extensions or adaptations of related algorithms for finite-dimensional problems. Finally, the so-called epsilon-methods combine the Ritz method with penalty function techniques.
Computation of nonparametric convex hazard estimators via profile methods
Jankowski, Hanna K.; Wellner, Jon A.
2010-01-01
This paper proposes a profile likelihood algorithm to compute the nonparametric maximum likelihood estimator of a convex hazard function. The maximisation is performed in two steps: First the support reduction algorithm is used to maximise the likelihood over all hazard functions with a given point of minimum (or antimode). Then it is shown that the profile (or partially maximised) likelihood is quasi-concave as a function of the antimode, so that a bisection algorithm can be applied to find the maximum of the profile likelihood, and hence also the global maximum. The new algorithm is illustrated using both artificial and real data, including lifetime data for Canadian males and females. PMID:20300560
A method of computational magnetohydrodynamics defining stable Scyllac equilibria
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
Shielding analysis methods available in the scale computational system
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.
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.
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.
Lattice QCD computations: Recent progress with modern Krylov subspace methods
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.
Advanced Computational Methods for Thermal Radiative Heat Transfer
Tencer, John; Carlberg, Kevin Thomas; Larsen, Marvin E.; Hogan, Roy E.
2016-10-01
Participating media radiation (PMR) in weapon safety calculations for abnormal thermal environments are too costly to do routinely. This cost may be s ubstantially reduced by applying reduced order modeling (ROM) techniques. The application of ROM to PMR is a new and unique approach for this class of problems. This approach was investigated by the authors and shown to provide significant reductions in the computational expense associated with typical PMR simulations. Once this technology is migrated into production heat transfer analysis codes this capability will enable the routine use of PMR heat transfer in higher - fidelity simulations of weapon resp onse in fire environments.
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.
Permeability computation on a REV with an immersed finite element method
Laure, P.; Puaux, G.; Silva, L.; Vincent, M.
2011-05-04
An efficient method to compute permeability of fibrous media is presented. An immersed domain approach is used to represent the porous material at its microscopic scale and the flow motion is computed with a stabilized mixed finite element method. Therefore the Stokes equation is solved on the whole domain (including solid part) using a penalty method. The accuracy is controlled by refining the mesh around the solid-fluid interface defined by a level set function. Using homogenisation techniques, the permeability of a representative elementary volume (REV) is computed. The computed permeabilities of regular fibre packings are compared to classical analytical relations found in the bibliography.
A low computation cost method for seizure prediction.
Zhang, Yanli; Zhou, Weidong; Yuan, Qi; Wu, Qi
2014-10-01
The dynamic changes of electroencephalograph (EEG) signals in the period prior to epileptic seizures play a major role in the seizure prediction. This paper proposes a low computation seizure prediction algorithm that combines a fractal dimension with a machine learning algorithm. The presented seizure prediction algorithm extracts the Higuchi fractal dimension (HFD) of EEG signals as features to classify the patient's preictal or interictal state with Bayesian linear discriminant analysis (BLDA) as a classifier. The outputs of BLDA are smoothed by a Kalman filter for reducing possible sporadic and isolated false alarms and then the final prediction results are produced using a thresholding procedure. The algorithm was evaluated on the intracranial EEG recordings of 21 patients in the Freiburg EEG database. For seizure occurrence period of 30 min and 50 min, our algorithm obtained an average sensitivity of 86.95% and 89.33%, an average false prediction rate of 0.20/h, and an average prediction time of 24.47 min and 39.39 min, respectively. The results confirm that the changes of HFD can serve as a precursor of ictal activities and be used for distinguishing between interictal and preictal epochs. Both HFD and BLDA classifier have a low computational complexity. All of these make the proposed algorithm suitable for real-time seizure prediction.
Yoshidome, Takashi; Ekimoto, Toru; Matubayasi, Nobuyuki; Harano, Yuichi; Kinoshita, Masahiro; Ikeguchi, Mitsunori
2015-05-07
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.
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
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…
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…
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.
Mapping methods for computationally efficient and accurate structural reliability
NASA Technical Reports Server (NTRS)
Shiao, Michael C.; Chamis, Christos C.
1992-01-01
Mapping methods are developed to improve the accuracy and efficiency of probabilistic structural analyses with coarse finite element meshes. The mapping methods consist of: (1) deterministic structural analyses with fine (convergent) finite element meshes, (2) probabilistic structural analyses with coarse finite element meshes, (3) the relationship between the probabilistic structural responses from the coarse and fine finite element meshes, and (4) a probabilistic mapping. The results show that the scatter of the probabilistic structural responses and structural reliability can be accurately predicted using a coarse finite element model with proper mapping methods. Therefore, large structures can be analyzed probabilistically using finite element methods.
Mapping methods for computationally efficient and accurate structural reliability
NASA Technical Reports Server (NTRS)
Shiao, Michael C.; Chamis, Christos C.
1992-01-01
Mapping methods are developed to improve the accuracy and efficiency of probabilistic structural analyses with coarse finite element meshes. The mapping methods consist of the following: (1) deterministic structural analyses with fine (convergent) finite element meshes; (2) probabilistic structural analyses with coarse finite element meshes; (3) the relationship between the probabilistic structural responses from the coarse and fine finite element meshes; and (4) a probabilistic mapping. The results show that the scatter in the probabilistic structural responses and structural reliability can be efficiently predicted using a coarse finite element model and proper mapping methods with good accuracy. Therefore, large structures can be efficiently analyzed probabilistically using finite element methods.
Comparison of 3 Methods for Computing Loading Rate during Running.
Ueda, T; Hobara, H; Kobayashi, Y; Heldoorn, T A; Mochimaru, M; Mizoguchi, H
2016-12-01
Tibial stress fractures are among the most common and potentially serious overuse injuries in runners. The fractures are thought to be related in part, to excessive loading variables, such as vertical average loading rate (VALR) and vertical instantaneous loading rate (VILR). Although there are several methods for calculating loading rate in running, little is known about the differences between the results produced by these methods. The purpose of this study was to compare 3 previously published methods of calculating VALR and VILR during running. 9 male participants ran on a treadmill at 2.5, 3.0, and 3.5 m/s. VALR and VILR were calculated from vertical ground reaction force using 3 methods that differed by the period over which the loading rates were calculated; foot strike to first peak (method A), from 20 to 80% of the time to first peak (method B), and over the first 50 ms after foot strike (method C). There were significant differences among methods with regard to VALR, but not VILR. Therefore, the results of the present study suggest that VILR is preferable to VALR for consistent evaluation among methods, which make it more acceptable to make study comparisons.
Adaptive computational methods for SSME internal flow analysis
NASA Technical Reports Server (NTRS)
Oden, J. T.
1986-01-01
Adaptive finite element methods for the analysis of classes of problems in compressible and incompressible flow of interest in SSME (space shuttle main engine) analysis and design are described. The general objective of the adaptive methods is to improve and to quantify the quality of numerical solutions to the governing partial differential equations of fluid dynamics in two-dimensional cases. There are several different families of adaptive schemes that can be used to improve the quality of solutions in complex flow simulations. Among these are: (1) r-methods (node-redistribution or moving mesh methods) in which a fixed number of nodal points is allowed to migrate to points in the mesh where high error is detected; (2) h-methods, in which the mesh size h is automatically refined to reduce local error; and (3) p-methods, in which the local degree p of the finite element approximation is increased to reduce local error. Two of the three basic techniques have been studied in this project: an r-method for steady Euler equations in two dimensions and a p-method for transient, laminar, viscous incompressible flow. Numerical results are presented. A brief introduction to residual methods of a-posterior error estimation is also given and some pertinent conclusions of the study are listed.
Use of personal computers for translation and publication of an anesthesia textbook.
Kayama, H; Iwase, Y; Kinefuchi, Y; Suwa, K
1995-03-01
We used personal computers extensively for translating and publishing in Japanese an anesthesia textbook originally written in English. The procedure included optical character recognition, scanning of figures, use of computer translation, use of electronic mail and computer type-setting. While these have individually been done previously, this is process of any medical textbook published in Japanese. The advantages of combining these technologies are good exchange of information among individual authors/translators, rapid translation process, preliminary visualization of the final product, and overall high quality of the published book.
Edge Detection and Geometric Methods in Computer Vision,
1985-02-01
anid espcially Ltme differenit meanings of the 2 types of arrows. In thin notatiom,, rather thani sayinig "the funtion a f (a, y)" Ceotnetric Methods in...a generative grammar . In fact, the only possible structures are shown In ,ig. (level). .. . . . . ... , Geometric Methods in Vision Topological
Computational method for general multicenter electronic structure calculations.
Batcho, P F
2000-06-01
Here a three-dimensional fully numerical (i.e., chemical basis-set free) method [P. F. Batcho, Phys. Rev. A 57, 6 (1998)], is formulated and applied to the calculation of the electronic structure of general multicenter Hamiltonian systems. The numerical method is presented and applied to the solution of Schrödinger-type operators, where a given number of nuclei point singularities is present in the potential field. The numerical method combines the rapid "exponential" convergence rates of modern spectral methods with the multiresolution flexibility of finite element methods, and can be viewed as an extension of the spectral element method. The approximation of cusps in the wave function and the formulation of multicenter nuclei singularities are efficiently dealt with by the combination of a coordinate transformation and a piecewise variational spectral approximation. The complete system can be efficiently inverted by established iterative methods for elliptical partial differential equations; an application of the method is presented for atomic, diatomic, and triatomic systems, and comparisons are made to the literature when possible. In particular, local density approximations are studied within the context of Kohn-Sham density functional theory, and are presented for selected subsets of atomic and diatomic molecules as well as the ozone molecule.
Yeast Ancestral Genome Reconstructions: The Possibilities of Computational Methods
NASA Astrophysics Data System (ADS)
Tannier, Eric
In 2006, a debate has risen on the question of the efficiency of bioinformatics methods to reconstruct mammalian ancestral genomes. Three years later, Gordon et al. (PLoS Genetics, 5(5), 2009) chose not to use automatic methods to build up the genome of a 100 million year old Saccharomyces cerevisiae ancestor. Their manually constructed ancestor provides a reference genome to test whether automatic methods are indeed unable to approach confident reconstructions. Adapting several methodological frameworks to the same yeast gene order data, I discuss the possibilities, differences and similarities of the available algorithms for ancestral genome reconstructions. The methods can be classified into two types: local and global. Studying the properties of both helps to clarify what we can expect from their usage. Both methods propose contiguous ancestral regions that come very close (> 95% identity) to the manually predicted ancestral yeast chromosomes, with a good coverage of the extant genomes.
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)...
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.
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.
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. 4011.9 Section 4011.9 Labor Regulations Relating to Labor (Continued) PENSION BENEFIT GUARANTY CORPORATION CERTAIN REPORTING AND DISCLOSURE REQUIREMENTS DISCLOSURE TO PARTICIPANTS § 4011.9 Method and date of issuance of notice; computation of...
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...
Smith, Selina A.; Webb, Nancy C.; Blumenthal, Daniel S.; Willcox, Bobbie; Ballance, Darra; Kinard, Faith; Gates, Madison L.
2016-01-01
Background Worldwide, the US accounts for a large proportion of journals related to public health. Although the American Public Health Association (APHA) includes 54 affiliated regional and state associations, little is known about their capacity to support public health scholarship. The aim of this study is to assess barriers and facilitators to operation of state journals for the dissemination of local public health research and practices. Methods A mixed methods approach will be used to complete the 12-month study. Affiliate websites will be accessed through the APHA membership portal to evaluate organizational infrastructure and ascertain the presence/absence of a journal. The leader of each affiliate will be contacted via email containing a link to a 12-question on-line survey to collect his/her perceptions of scholarly journals and the publication of local health data. To determine barriers and facilitators to publication of local public health findings, 30-minute semi-structured telephone interviews will focus on the infrastructure of the association, perceptions of the leader about the journal (if in place), and its operation. Anticipated Results We anticipate that 54 affiliate websites will be reviewed to complete the extraction checklist, that 74% of affiliate leaders will respond to the survey, and that 11 semi-structured interviews will be conducted. A limited number of state/regional public health associations will operate journals and a small percentage of those without journals may express an interest in implementing them. Barriers to operation of journals may include lack of resources (i.e., personnel, funding), and low prioritization of publication of state and local public health findings. Facilitators may include strong affiliate-academic relationships, affiliate leadership with experience in publications, and affiliate relationships with state and local departments of health. Conclusions The research proposed in this protocol may stimulate other
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.
Computer capillaroscopy as a new cardiological diagnostics method
NASA Astrophysics Data System (ADS)
Gurfinkel, Youri I.; Korol, Oleg A.; Kufal, George E.
1998-04-01
The blood flow in capillary vessels plays an important role in sustaining the vital activity of the human organism. The computerized capillaroscope is used for the investigations of nailfold (eponychium) capillary blood flow. An important advantage of the instrument is the possibility of performing non-invasive investigations, i.e., without damage to skin or vessels and causing no pain or unpleasant sensations. The high-class equipment and software allow direct observation of capillary blood flow dynamics on a computer screen at a 700 - 1300 times magnification. For the first time in the clinical practice, it has become possible to precisely measure the speed of capillary blood flow, as well as the frequency of aggregate formation (glued together in clots of blood particles). In addition, provision is made for automatic measurement of capillary size and wall thickness and automatic recording of blood aggregate images for further visual study, documentation, and electronic database management.
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.
Wang, Jianbo; Ye, Zhenqing; Huang, Tim H.; Shi, Huidong; Jin, Victor X.
2016-01-01
Alternative splicing is widely recognized for playing roles in regulating genes and creating gene diversity. Consequently the identification and quantification of differentially spliced transcripts are pivotal for transcriptome analysis. However, how these diversified isoforms are spliced during genomic transcription and protein expression and what biological factors might influence the regulation of this are still required for further exploration. The advances in next-generation sequencing of messenger RNA (RNA-seq) have enabled us to survey gene expression and splicing more accurately. We have introduced a novel computational method, graph-based exon-skipping scanner (GESS), for de novo detection of skipping event sites from raw RNA-seq reads without prior knowledge of gene annotations, as well as for determining the dominant isoform generated from such sites. We have applied our method to publicly available RNA-seq data in GM12878 and K562 cells from the ENCODE consortium, and integrated other sequencing-based genomic data to investigate the impact of splicing activities, transcription factors (TFs) and epigenetic histone modifications on splicing outcomes. In a separate study, we also apply this algorithm in prostate cancer in The Cancer Genomics Atlas (TCGA) for de novo skipping event discovery to the understanding of abnormal splicing in each patient and to identify potential markers for prediction and progression of diseases. PMID:27807836
Decluttering methods for high density computer-generated graphic displays
NASA Technical Reports Server (NTRS)
Schultz, E. E., Jr.; Nichols, D. A.; Curran, P. S.
1985-01-01
Several decluttering methods were compared with respect to the speed and accuracy of user performance which resulted. The presence of a map background was also manipulated. Partial removal of nonessential graphic features through symbol simplification was as effective a decluttering technique as was total removal of nonessential graphic features. The presence of a map background interacted with decluttering conditions when response time was the dependent measure. Results indicate that the effectiveness of decluttering methods depends upon the degree to which each method makes essential graphic information distinctive from nonessential information. Practical implications are discussed.
Computational solution of acoustic radiation problems by Kussmaul's boundary element method
NASA Astrophysics Data System (ADS)
Kirkup, S. M.; Henwood, D. J.
1992-10-01
The problem of computing the properties of the acoustic field exterior to a vibrating surface for the complete wavenumber range by the boundary element method is considered. A particular computational method based on the Kussmaul formulation is described. The method is derived through approximating the surface by a set of planar triangles and approximating the surface functions by a constant on each element. The method is successfully applied to test problems and to the Ricardo crankcase simulation rig.
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.
Computational methods for constructing protein structure models from 3D electron microscopy maps.
Esquivel-Rodríguez, Juan; Kihara, Daisuke
2013-10-01
Protein structure determination by cryo-electron microscopy (EM) has made significant progress in the past decades. Resolutions of EM maps have been improving as evidenced by recently reported structures that are solved at high resolutions close to 3Å. Computational methods play a key role in interpreting EM data. Among many computational procedures applied to an EM map to obtain protein structure information, in this article we focus on reviewing computational methods that model protein three-dimensional (3D) structures from a 3D EM density map that is constructed from two-dimensional (2D) maps. The computational methods we discuss range from de novo methods, which identify structural elements in an EM map, to structure fitting methods, where known high resolution structures are fit into a low-resolution EM map. A list of available computational tools is also provided.
Alloy Surface Structure:. Computer Simulations Using the Bfs Method
NASA Astrophysics Data System (ADS)
Bozzolo, Guillermo; Ferrante, John
The use of semiempirical methods for modeling alloy properties has proven to be difficult and limited. The two primary approaches to this modeling, the embedded atom method and the phenomenological method of Miedema, have serious limitations in the range of materials studied and the degree of success in predicting properties of such systems. Recently, a new method has been developed by Bozzolo, Ferrante and Smith (BFS) which has had considerable success in predicting a wide range of alloy properties. In this work, we reference previous BFS applications to surface alloy formation and alloy surface structure, leading to the analysis of binary and ternary Ni-based alloy surfaces. We present Monte Carlo simulation results of thin films of NiAl and Ni-Al-Ti alloys, for a wide range of concentration of the Ti alloying addition. The composition of planes close to the surface as well as bulk features are discussed.
Computational Methods for Predictive Simulation of Stochastic Turbulence Systems
2015-11-05
Enter title and subtitle with volume number and part number, if applicable . On classified documents, enter the title classification in parentheses. 5a...accuracy, and range of applicability of non-intrusive methods, such as stochastic collocation methods, and intrusive techniques, such as stochastic...engineering flows) over a long time interval is not possible within time and resource constraints. Many applications central to predictive CFD today
Computation of Ripple Wave Parameters: A Comparison of Methods
NASA Astrophysics Data System (ADS)
Fernandez, D. M.; Vesecky, J. F.; Napolitano, D. J.; Khuri-Yakub, B. T.; Mann, J. A.
1992-04-01
Remote sensing of oceanic and atmospheric quantities, such as the waveheight spectrum and wind velocity, depend largely on the interaction of electromagnetic radar waves with ocean surface waves in the short gravity and capillary range. The propagation of such ripple waves upon the ocean surface is strongly affected by the presence of surface films which constitute the ocean microlayer. In order to understand the impact of surface films on oceanic and atmospheric remote sensing, it is necessary to have an accurate and, if possible, convenient model relating film properties with the propagation and damping of ripple waves. This study examines two different methods of obtaining the damping coefficient of short gravity and capillary waves. One method, developed by Bock and Mann, utilizes numerical techniques based on the modified Levich characteristic equation to accurately yield complex roots governing the propagation of Laplace transverse and Marangoni longitudinal waves on the air-sea interface. The other method, developed by Cini and Lombardini, involves finding an approximate analytical solution of the Levich equations using a perturbational technique. A comparison of the two methods yields tolerance ranges of various parameters, including frequency, modulus of surface dilational viscosity, and modulus of surface dilational elasticity, over which the two methods agree to 5-10%. To make our comparison concrete, we apply both methods to a specific surface film sample collected by Garret. Both theoretical results are compared to experimental results.
An assessment of precipitation adjustment and feedback computation methods
NASA Astrophysics Data System (ADS)
Richardson, T. B.; Samset, B. H.; Andrews, T.; Myhre, G.; Forster, P. M.
2016-10-01
The precipitation adjustment and feedback framework is a useful tool for understanding global and regional precipitation changes. However, there is no definitive method for making the decomposition. In this study we highlight important differences which arise in results due to methodological choices. The responses to five different forcing agents (CO2, CH4, SO4, black carbon, and solar insolation) are analyzed using global climate model simulations. Three decomposition methods are compared: using fixed sea surface temperature experiments (fSST), regressing transient climate change after an abrupt forcing (regression), and separating based on timescale using the first year of coupled simulations (YR1). The YR1 method is found to incorporate significant SST-driven feedbacks into the adjustment and is therefore not suitable for making the decomposition. Globally, the regression and fSST methods produce generally consistent results; however, the regression values are dependent on the number of years analyzed and have considerably larger uncertainties. Regionally, there are substantial differences between methods. The pattern of change calculated using regression reverses sign in many regions as the number of years analyzed increases. This makes it difficult to establish what effects are included in the decomposition. The fSST method provides a more clear-cut separation in terms of what physical drivers are included in each component. The fSST results are less affected by methodological choices and exhibit much less variability. We find that the precipitation adjustment is weakly affected by the choice of SST climatology.
NASA Technical Reports Server (NTRS)
Liu, D. D.; Kao, Y. F.; Fung, K. Y.
1989-01-01
A transonic equivalent strip (TES) method was further developed for unsteady flow computations of arbitrary wing planforms. The TES method consists of two consecutive correction steps to a given nonlinear code such as LTRAN2; namely, the chordwise mean flow correction and the spanwise phase correction. The computation procedure requires direct pressure input from other computed or measured data. Otherwise, it does not require airfoil shape or grid generation for given planforms. To validate the computed results, four swept wings of various aspect ratios, including those with control surfaces, are selected as computational examples. Overall trends in unsteady pressures are established with those obtained by XTRAN3S codes, Isogai's full potential code and measured data by NLR and RAE. In comparison with these methods, the TES has achieved considerable saving in computer time and reasonable accuracy which suggests immediate industrial applications.
LIEBLER, CAROLYN A.; HALPERN-MANNERS, ANDREW
2008-01-01
Revised federal policies require that multiple-race responses be allowed in all federal data collection efforts, but many researchers find the multitude of race categories and variables very difficult to use. Important comparability issues also interfere with using multiple-race data in analyses of multiple data sets and/or several points in time. These difficulties have, in effect, discouraged the use of the new data on race. We present a practical method for incorporating multiple-race respondents into analyses that use public-use microdata. Our method is a modification of the regression method developed by the National Center for Health Statistics (NCHS), which uses multiple-race respondents’ specific combination of races, as well as other individual-level and contextual characteristics, to predict the respondents’ preferred single race. In this paper we (1) apply the NCHS-generated regression coefficients to public-use microdata with limited geographic information; and (2) provide a downloadable computer program with which researchers can apply this practical and preferable method for including multiple-race respondents in a wide variety of analyses. PMID:18390296
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.
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.
Computation of molecular electrostatics with boundary element methods.
Liang, J; Subramaniam, S
1997-01-01
In continuum approaches to molecular electrostatics, the boundary element method (BEM) can provide accurate solutions to the Poisson-Boltzmann equation. However, the numerical aspects of this method pose significant problems. We describe our approach, applying an alpha shape-based method to generate a high-quality mesh, which represents the shape and topology of the molecule precisely. We also describe an analytical method for mapping points from the planar mesh to their exact locations on the surface of the molecule. We demonstrate that derivative boundary integral formulation has numerical advantages over the nonderivative formulation: the well-conditioned influence matrix can be maintained without deterioration of the condition number when the number of the mesh elements scales up. Singular integrand kernels are characteristics of the BEM. Their accurate integration is an important issue. We describe variable transformations that allow accurate numerical integration. The latter is the only plausible integral evaluation method when using curve-shaped boundary elements. Images FIGURE 3 FIGURE 5 FIGURE 6 FIGURE 7 FIGURE 8 PMID:9336178
The Voronoi Implicit Interface Method for computing multiphase physics.
Saye, Robert I; Sethian, James A
2011-12-06
We introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarily high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. We test the method's accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann's law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces.
NASA Astrophysics Data System (ADS)
Sekimoto, Yoshihide; Nakajo, Satoru; Minami, Yoshitaka; Yamaguchi, Syohei; Yamada, Harutoshi; Fuse, Takashi
Recently, disclosure of statistic data, representing financial effects or burden for public work, through each web site of national or local government, enables us to discuss macroscopic financial trends. However, it is still difficult to grasp a basic property nationwide how each spot was changed by public work. In this research, our research purpose is to collect road update information reasonably which various road managers provide, in order to realize efficient updating of various maps such as car navigation maps. In particular, we develop the system extracting public work concerned and registering summary including position information to database automatically from public work order outlook, released by each local government, combinating some web mining technologies. Finally, we collect and register several tens of thousands from web site all over Japan, and confirm the feasibility of our method.
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.
The Role of Analytic Methods in Computational Aeroacoustics
NASA Technical Reports Server (NTRS)
Farassat, F.; Posey, J. W.
2003-01-01
As air traffic grows, annoyance produced by aircraft noise will grow unless new aircraft produce no objectionable noise outside airport boundaries. Such ultra-quiet aircraft must be of revolutionary design, having unconventional planforms and most likely with propulsion systems highly integrated with the airframe. Sophisticated source and propagation modeling will be required to properly account for effects of the airframe on noise generation, reflection, scattering, and radiation. It is tempting to say that since all the effects are included in the Navier-Stokes equations, time-accurate CFD can provide all the answers. Unfortunately, the computational time required to solve a full aircraft noise problem will be prohibitive for many years to come. On the other hand, closed form solutions are not available for such complicated problems. Therefore, a hybrid approach is recommended in which analysis is taken as far as possible without omitting relevant physics or geometry. Three examples are given of recently reported work in broadband noise prediction, ducted fan noise propagation and radiation, and noise prediction for complex three-dimensional jets.
Computational Biology Methods for Characterization of Pluripotent Cells.
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.
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.
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.
Computational Methods for Aerodynamic Design (Inverse) and Optimization
1990-01-01
Airfoils with Given Velocity Distribution in Incompressible Flow," J. Aircraft, Vol. 10, 1973, pp. 651-659. 7. Polito, L., "Un Metodo Esatto -per 11 Progetto...and the Simpson rule. Using a panel arrangement method with properly increased panel deusity in regions with comparatively large rv -variations, use of
New developments in adaptive methods for computational fluid dynamics
NASA Technical Reports Server (NTRS)
Oden, J. T.; Bass, Jon M.
1990-01-01
New developments in a posteriori error estimates, smart algorithms, and h- and h-p adaptive finite element methods are discussed in the context of two- and three-dimensional compressible and incompressible flow simulations. Applications to rotor-stator interaction, rotorcraft aerodynamics, shock and viscous boundary layer interaction and fluid-structure interaction problems are discussed.