WorldWideScience

Sample records for large-scale molecular optimization

  1. Conference on Large Scale Optimization

    CERN Document Server

    Hearn, D; Pardalos, P

    1994-01-01

    On February 15-17, 1993, a conference on Large Scale Optimization, hosted by the Center for Applied Optimization, was held at the University of Florida. The con­ ference was supported by the National Science Foundation, the U. S. Army Research Office, and the University of Florida, with endorsements from SIAM, MPS, ORSA and IMACS. Forty one invited speakers presented papers on mathematical program­ ming and optimal control topics with an emphasis on algorithm development, real world applications and numerical results. Participants from Canada, Japan, Sweden, The Netherlands, Germany, Belgium, Greece, and Denmark gave the meeting an important international component. At­ tendees also included representatives from IBM, American Airlines, US Air, United Parcel Serice, AT & T Bell Labs, Thinking Machines, Army High Performance Com­ puting Research Center, and Argonne National Laboratory. In addition, the NSF sponsored attendance of thirteen graduate students from universities in the United States and abro...

  2. Methods for Large-Scale Nonlinear Optimization.

    Science.gov (United States)

    1980-05-01

    STANFORD, CALIFORNIA 94305 METHODS FOR LARGE-SCALE NONLINEAR OPTIMIZATION by Philip E. Gill, Waiter Murray, I Michael A. Saunden, and Masgaret H. Wright...typical iteration can be partitioned so that where B is an m X m basise matrix. This partition effectively divides the vari- ables into three classes... attention is given to the standard of the coding or the documentation. A much better way of obtaining mathematical software is from a software library

  3. Large scale molecular simulations of nanotoxicity.

    Science.gov (United States)

    Jimenez-Cruz, Camilo A; Kang, Seung-gu; Zhou, Ruhong

    2014-01-01

    The widespread use of nanomaterials in biomedical applications has been accompanied by an increasing interest in understanding their interactions with tissues, cells, and biomolecules, and in particular, on how they might affect the integrity of cell membranes and proteins. In this mini-review, we present a summary of some of the recent studies on this important subject, especially from the point of view of large scale molecular simulations. The carbon-based nanomaterials and noble metal nanoparticles are the main focus, with additional discussions on quantum dots and other nanoparticles as well. The driving forces for adsorption of fullerenes, carbon nanotubes, and graphene nanosheets onto proteins or cell membranes are found to be mainly hydrophobic interactions and the so-called π-π stacking (between aromatic rings), while for the noble metal nanoparticles the long-range electrostatic interactions play a bigger role. More interestingly, there are also growing evidences showing that nanotoxicity can have implications in de novo design of nanomedicine. For example, the endohedral metallofullerenol Gd@C₈₂(OH)₂₂ is shown to inhibit tumor growth and metastasis by inhibiting enzyme MMP-9, and graphene is illustrated to disrupt bacteria cell membranes by insertion/cutting as well as destructive extraction of lipid molecules. These recent findings have provided a better understanding of nanotoxicity at the molecular level and also suggested therapeutic potential by using the cytotoxicity of nanoparticles against cancer or bacteria cells. © 2014 Wiley Periodicals, Inc.

  4. Optimization of Large-Scale Structural Systems

    DEFF Research Database (Denmark)

    Jensen, F. M.

    solutions to small problems with one or two variables to the optimization of large structures such as bridges, ships and offshore structures. The methods used for salving these problems have evolved from being classical differential calculus and calculus of variation to very advanced numerical techniques...

  5. Algorithm 896: LSA: Algorithms for Large-Scale Optimization

    Czech Academy of Sciences Publication Activity Database

    Lukšan, Ladislav; Matonoha, Ctirad; Vlček, Jan

    2009-01-01

    Roč. 36, č. 3 (2009), 16-1-16-29 ISSN 0098-3500 R&D Pro jects: GA AV ČR IAA1030405; GA ČR GP201/06/P397 Institutional research plan: CEZ:AV0Z10300504 Keywords : algorithms * design * large-scale optimization * large-scale nonsmooth optimization * large-scale nonlinear least squares * large-scale nonlinear minimax * large-scale systems of nonlinear equations * sparse pro blems * partially separable pro blems * limited-memory methods * discrete Newton methods * quasi-Newton methods * primal interior-point methods Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 1.904, year: 2009

  6. Topology Optimization of Large Scale Stokes Flow Problems

    DEFF Research Database (Denmark)

    Aage, Niels; Poulsen, Thomas Harpsøe; Gersborg-Hansen, Allan

    2008-01-01

    This note considers topology optimization of large scale 2D and 3D Stokes flow problems using parallel computations. We solve problems with up to 1.125.000 elements in 2D and 128.000 elements in 3D on a shared memory computer consisting of Sun UltraSparc IV CPUs.......This note considers topology optimization of large scale 2D and 3D Stokes flow problems using parallel computations. We solve problems with up to 1.125.000 elements in 2D and 128.000 elements in 3D on a shared memory computer consisting of Sun UltraSparc IV CPUs....

  7. BILGO: Bilateral greedy optimization for large scale semidefinite programming

    KAUST Repository

    Hao, Zhifeng

    2013-10-03

    Many machine learning tasks (e.g. metric and manifold learning problems) can be formulated as convex semidefinite programs. To enable the application of these tasks on a large-scale, scalability and computational efficiency are considered as desirable properties for a practical semidefinite programming algorithm. In this paper, we theoretically analyze a new bilateral greedy optimization (denoted BILGO) strategy in solving general semidefinite programs on large-scale datasets. As compared to existing methods, BILGO employs a bilateral search strategy during each optimization iteration. In such an iteration, the current semidefinite matrix solution is updated as a bilateral linear combination of the previous solution and a suitable rank-1 matrix, which can be efficiently computed from the leading eigenvector of the descent direction at this iteration. By optimizing for the coefficients of the bilateral combination, BILGO reduces the cost function in every iteration until the KKT conditions are fully satisfied, thus, it tends to converge to a global optimum. In fact, we prove that BILGO converges to the global optimal solution at a rate of O(1/k), where k is the iteration counter. The algorithm thus successfully combines the efficiency of conventional rank-1 update algorithms and the effectiveness of gradient descent. Moreover, BILGO can be easily extended to handle low rank constraints. To validate the effectiveness and efficiency of BILGO, we apply it to two important machine learning tasks, namely Mahalanobis metric learning and maximum variance unfolding. Extensive experimental results clearly demonstrate that BILGO can solve large-scale semidefinite programs efficiently.

  8. BILGO: Bilateral greedy optimization for large scale semidefinite programming

    KAUST Repository

    Hao, Zhifeng; Yuan, Ganzhao; Ghanem, Bernard

    2013-01-01

    Many machine learning tasks (e.g. metric and manifold learning problems) can be formulated as convex semidefinite programs. To enable the application of these tasks on a large-scale, scalability and computational efficiency are considered as desirable properties for a practical semidefinite programming algorithm. In this paper, we theoretically analyze a new bilateral greedy optimization (denoted BILGO) strategy in solving general semidefinite programs on large-scale datasets. As compared to existing methods, BILGO employs a bilateral search strategy during each optimization iteration. In such an iteration, the current semidefinite matrix solution is updated as a bilateral linear combination of the previous solution and a suitable rank-1 matrix, which can be efficiently computed from the leading eigenvector of the descent direction at this iteration. By optimizing for the coefficients of the bilateral combination, BILGO reduces the cost function in every iteration until the KKT conditions are fully satisfied, thus, it tends to converge to a global optimum. In fact, we prove that BILGO converges to the global optimal solution at a rate of O(1/k), where k is the iteration counter. The algorithm thus successfully combines the efficiency of conventional rank-1 update algorithms and the effectiveness of gradient descent. Moreover, BILGO can be easily extended to handle low rank constraints. To validate the effectiveness and efficiency of BILGO, we apply it to two important machine learning tasks, namely Mahalanobis metric learning and maximum variance unfolding. Extensive experimental results clearly demonstrate that BILGO can solve large-scale semidefinite programs efficiently.

  9. Large-Scale Optimization for Bayesian Inference in Complex Systems

    Energy Technology Data Exchange (ETDEWEB)

    Willcox, Karen [MIT; Marzouk, Youssef [MIT

    2013-11-12

    The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimization) Project focused on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimization and inversion methods. The project was a collaborative effort among MIT, the University of Texas at Austin, Georgia Institute of Technology, and Sandia National Laboratories. The research was directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. The MIT--Sandia component of the SAGUARO Project addressed the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas--Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to-observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as ``reduce then sample'' and ``sample then reduce.'' In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to

  10. Hierarchical optimal control of large-scale nonlinear chemical processes.

    Science.gov (United States)

    Ramezani, Mohammad Hossein; Sadati, Nasser

    2009-01-01

    In this paper, a new approach is presented for optimal control of large-scale chemical processes. In this approach, the chemical process is decomposed into smaller sub-systems at the first level, and a coordinator at the second level, for which a two-level hierarchical control strategy is designed. For this purpose, each sub-system in the first level can be solved separately, by using any conventional optimization algorithm. In the second level, the solutions obtained from the first level are coordinated using a new gradient-type strategy, which is updated by the error of the coordination vector. The proposed algorithm is used to solve the optimal control problem of a complex nonlinear chemical stirred tank reactor (CSTR), where its solution is also compared with the ones obtained using the centralized approach. The simulation results show the efficiency and the capability of the proposed hierarchical approach, in finding the optimal solution, over the centralized method.

  11. Geospatial Optimization of Siting Large-Scale Solar Projects

    Energy Technology Data Exchange (ETDEWEB)

    Macknick, Jordan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Quinby, Ted [National Renewable Energy Lab. (NREL), Golden, CO (United States); Caulfield, Emmet [Stanford Univ., CA (United States); Gerritsen, Margot [Stanford Univ., CA (United States); Diffendorfer, Jay [U.S. Geological Survey, Boulder, CO (United States); Haines, Seth [U.S. Geological Survey, Boulder, CO (United States)

    2014-03-01

    Recent policy and economic conditions have encouraged a renewed interest in developing large-scale solar projects in the U.S. Southwest. However, siting large-scale solar projects is complex. In addition to the quality of the solar resource, solar developers must take into consideration many environmental, social, and economic factors when evaluating a potential site. This report describes a proof-of-concept, Web-based Geographical Information Systems (GIS) tool that evaluates multiple user-defined criteria in an optimization algorithm to inform discussions and decisions regarding the locations of utility-scale solar projects. Existing siting recommendations for large-scale solar projects from governmental and non-governmental organizations are not consistent with each other, are often not transparent in methods, and do not take into consideration the differing priorities of stakeholders. The siting assistance GIS tool we have developed improves upon the existing siting guidelines by being user-driven, transparent, interactive, capable of incorporating multiple criteria, and flexible. This work provides the foundation for a dynamic siting assistance tool that can greatly facilitate siting decisions among multiple stakeholders.

  12. Optimization of large-scale industrial systems : an emerging method

    Energy Technology Data Exchange (ETDEWEB)

    Hammache, A.; Aube, F.; Benali, M.; Cantave, R. [Natural Resources Canada, Varennes, PQ (Canada). CANMET Energy Technology Centre

    2006-07-01

    This paper reviewed optimization methods of large-scale industrial production systems and presented a novel systematic multi-objective and multi-scale optimization methodology. The methodology was based on a combined local optimality search with global optimality determination, and advanced system decomposition and constraint handling. The proposed method focused on the simultaneous optimization of the energy, economy and ecology aspects of industrial systems (E{sup 3}-ISO). The aim of the methodology was to provide guidelines for decision-making strategies. The approach was based on evolutionary algorithms (EA) with specifications including hybridization of global optimality determination with a local optimality search; a self-adaptive algorithm to account for the dynamic changes of operating parameters and design variables occurring during the optimization process; interactive optimization; advanced constraint handling and decomposition strategy; and object-oriented programming and parallelization techniques. Flowcharts of the working principles of the basic EA were presented. It was concluded that the EA uses a novel decomposition and constraint handling technique to enhance the Pareto solution search procedure for multi-objective problems. 6 refs., 9 figs.

  13. A convex optimization approach for solving large scale linear systems

    Directory of Open Access Journals (Sweden)

    Debora Cores

    2017-01-01

    Full Text Available The well-known Conjugate Gradient (CG method minimizes a strictly convex quadratic function for solving large-scale linear system of equations when the coefficient matrix is symmetric and positive definite. In this work we present and analyze a non-quadratic convex function for solving any large-scale linear system of equations regardless of the characteristics of the coefficient matrix. For finding the global minimizers, of this new convex function, any low-cost iterative optimization technique could be applied. In particular, we propose to use the low-cost globally convergent Spectral Projected Gradient (SPG method, which allow us to extend this optimization approach for solving consistent square and rectangular linear system, as well as linear feasibility problem, with and without convex constraints and with and without preconditioning strategies. Our numerical results indicate that the new scheme outperforms state-of-the-art iterative techniques for solving linear systems when the symmetric part of the coefficient matrix is indefinite, and also for solving linear feasibility problems.

  14. Lightweight computational steering of very large scale molecular dynamics simulations

    International Nuclear Information System (INIS)

    Beazley, D.M.

    1996-01-01

    We present a computational steering approach for controlling, analyzing, and visualizing very large scale molecular dynamics simulations involving tens to hundreds of millions of atoms. Our approach relies on extensible scripting languages and an easy to use tool for building extensions and modules. The system is extremely easy to modify, works with existing C code, is memory efficient, and can be used from inexpensive workstations and networks. We demonstrate how we have used this system to manipulate data from production MD simulations involving as many as 104 million atoms running on the CM-5 and Cray T3D. We also show how this approach can be used to build systems that integrate common scripting languages (including Tcl/Tk, Perl, and Python), simulation code, user extensions, and commercial data analysis packages

  15. Optimal Wind Energy Integration in Large-Scale Electric Grids

    Science.gov (United States)

    Albaijat, Mohammad H.

    The major concern in electric grid operation is operating under the most economical and reliable fashion to ensure affordability and continuity of electricity supply. This dissertation investigates the effects of such challenges, which affect electric grid reliability and economic operations. These challenges are: 1. Congestion of transmission lines, 2. Transmission lines expansion, 3. Large-scale wind energy integration, and 4. Phaser Measurement Units (PMUs) optimal placement for highest electric grid observability. Performing congestion analysis aids in evaluating the required increase of transmission line capacity in electric grids. However, it is necessary to evaluate expansion of transmission line capacity on methods to ensure optimal electric grid operation. Therefore, the expansion of transmission line capacity must enable grid operators to provide low-cost electricity while maintaining reliable operation of the electric grid. Because congestion affects the reliability of delivering power and increases its cost, the congestion analysis in electric grid networks is an important subject. Consequently, next-generation electric grids require novel methodologies for studying and managing congestion in electric grids. We suggest a novel method of long-term congestion management in large-scale electric grids. Owing to the complication and size of transmission line systems and the competitive nature of current grid operation, it is important for electric grid operators to determine how many transmission lines capacity to add. Traditional questions requiring answers are "Where" to add, "How much of transmission line capacity" to add, and "Which voltage level". Because of electric grid deregulation, transmission lines expansion is more complicated as it is now open to investors, whose main interest is to generate revenue, to build new transmission lines. Adding a new transmission capacity will help the system to relieve the transmission system congestion, create

  16. Protein homology model refinement by large-scale energy optimization.

    Science.gov (United States)

    Park, Hahnbeom; Ovchinnikov, Sergey; Kim, David E; DiMaio, Frank; Baker, David

    2018-03-20

    Proteins fold to their lowest free-energy structures, and hence the most straightforward way to increase the accuracy of a partially incorrect protein structure model is to search for the lowest-energy nearby structure. This direct approach has met with little success for two reasons: first, energy function inaccuracies can lead to false energy minima, resulting in model degradation rather than improvement; and second, even with an accurate energy function, the search problem is formidable because the energy only drops considerably in the immediate vicinity of the global minimum, and there are a very large number of degrees of freedom. Here we describe a large-scale energy optimization-based refinement method that incorporates advances in both search and energy function accuracy that can substantially improve the accuracy of low-resolution homology models. The method refined low-resolution homology models into correct folds for 50 of 84 diverse protein families and generated improved models in recent blind structure prediction experiments. Analyses of the basis for these improvements reveal contributions from both the improvements in conformational sampling techniques and the energy function.

  17. Large-Scale Systems Control Design via LMI Optimization

    Czech Academy of Sciences Publication Activity Database

    Rehák, Branislav

    2015-01-01

    Roč. 44, č. 3 (2015), s. 247-253 ISSN 1392-124X Institutional support: RVO:67985556 Keywords : Combinatorial linear matrix inequalities * large-scale system * decentralized control Subject RIV: BC - Control Systems Theory Impact factor: 0.633, year: 2015

  18. Optimization of large scale food production using Lean Manufacturing principles

    DEFF Research Database (Denmark)

    Engelund, Eva Høy; Friis, Alan; Breum, Gitte

    2009-01-01

    This paper discusses how the production principles of Lean Manufacturing (Lean) can be applied in a large-scale meal production. Lean principles are briefly presented, followed by a field study of how a kitchen at a Danish hospital has implemented Lean in the daily production. In the kitchen...... not be negatively affected by the rationalisation of production procedures. The field study shows that Lean principles can be applied in meal production and can result in increased production efficiency and systematic improvement of product quality without negative effects on the working environment. The results...... show that Lean can be applied and used to manage the production of meals in the kitchen....

  19. Optimization of large-scale fabrication of dielectric elastomer transducers

    DEFF Research Database (Denmark)

    Hassouneh, Suzan Sager

    Dielectric elastomers (DEs) have gained substantial ground in many different applications, such as wave energy harvesting, valves and loudspeakers. For DE technology to be commercially viable, it is necessary that any large-scale production operation is nondestructive, efficient and cheap. Danfoss......-strength laminates to perform as monolithic elements. For the front-to-back and front-to-front configurations, conductive elastomers were utilised. One approach involved adding the cheap and conductive filler, exfoliated graphite (EG) to a PDMS matrix to increase dielectric permittivity. The results showed that even...... as conductive adhesives were rejected. Dielectric properties below the percolation threshold were subsequently investigated, in order to conclude the study. In order to avoid destroying the network structure, carbon nanotubes (CNTs) were used as fillers during the preparation of the conductive elastomers...

  20. Mathematical programming methods for large-scale topology optimization problems

    DEFF Research Database (Denmark)

    Rojas Labanda, Susana

    for mechanical problems, but has rapidly extended to many other disciplines, such as fluid dynamics and biomechanical problems. However, the novelty and improvements of optimization methods has been very limited. It is, indeed, necessary to develop of new optimization methods to improve the final designs......, and at the same time, reduce the number of function evaluations. Nonlinear optimization methods, such as sequential quadratic programming and interior point solvers, have almost not been embraced by the topology optimization community. Thus, this work is focused on the introduction of this kind of second...... for the classical minimum compliance problem. Two of the state-of-the-art optimization algorithms are investigated and implemented for this structural topology optimization problem. A Sequential Quadratic Programming (TopSQP) and an interior point method (TopIP) are developed exploiting the specific mathematical...

  1. Optimal Experimental Design for Large-Scale Bayesian Inverse Problems

    KAUST Repository

    Ghattas, Omar

    2014-01-01

    We develop a Bayesian framework for the optimal experimental design of the shock tube experiments which are being carried out at the KAUST Clean Combustion Research Center. The unknown parameters are the pre-exponential parameters and the activation

  2. Optimal Experimental Design for Large-Scale Bayesian Inverse Problems

    KAUST Repository

    Ghattas, Omar

    2014-01-06

    We develop a Bayesian framework for the optimal experimental design of the shock tube experiments which are being carried out at the KAUST Clean Combustion Research Center. The unknown parameters are the pre-exponential parameters and the activation energies in the reaction rate expressions. The control parameters are the initial mixture composition and the temperature. The approach is based on first building a polynomial based surrogate model for the observables relevant to the shock tube experiments. Based on these surrogates, a novel MAP based approach is used to estimate the expected information gain in the proposed experiments, and to select the best experimental set-ups yielding the optimal expected information gains. The validity of the approach is tested using synthetic data generated by sampling the PC surrogate. We finally outline a methodology for validation using actual laboratory experiments, and extending experimental design methodology to the cases where the control parameters are noisy.

  3. Reliability analysis of large scaled structures by optimization technique

    International Nuclear Information System (INIS)

    Ishikawa, N.; Mihara, T.; Iizuka, M.

    1987-01-01

    This paper presents a reliability analysis based on the optimization technique using PNET (Probabilistic Network Evaluation Technique) method for the highly redundant structures having a large number of collapse modes. This approach makes the best use of the merit of the optimization technique in which the idea of PNET method is used. The analytical process involves the minimization of safety index of the representative mode, subjected to satisfaction of the mechanism condition and of the positive external work. The procedure entails the sequential performance of a series of the NLP (Nonlinear Programming) problems, where the correlation condition as the idea of PNET method pertaining to the representative mode is taken as an additional constraint to the next analysis. Upon succeeding iterations, the final analysis is achieved when a collapse probability at the subsequent mode is extremely less than the value at the 1st mode. The approximate collapse probability of the structure is defined as the sum of the collapse probabilities of the representative modes classified by the extent of correlation. Then, in order to confirm the validity of the proposed method, the conventional Monte Carlo simulation is also revised by using the collapse load analysis. Finally, two fairly large structures were analyzed to illustrate the scope and application of the approach. (orig./HP)

  4. Optimal Selection of AC Cables for Large Scale Offshore Wind Farms

    DEFF Research Database (Denmark)

    Hou, Peng; Hu, Weihao; Chen, Zhe

    2014-01-01

    The investment of large scale offshore wind farms is high in which the electrical system has a significant contribution to the total cost. As one of the key components, the cost of the connection cables affects the initial investment a lot. The development of cable manufacturing provides a vast...... and systematical way for the optimal selection of cables in large scale offshore wind farms....

  5. Optimizing Distributed Machine Learning for Large Scale EEG Data Set

    Directory of Open Access Journals (Sweden)

    M Bilal Shaikh

    2017-06-01

    Full Text Available Distributed Machine Learning (DML has gained its importance more than ever in this era of Big Data. There are a lot of challenges to scale machine learning techniques on distributed platforms. When it comes to scalability, improving the processor technology for high level computation of data is at its limit, however increasing machine nodes and distributing data along with computation looks as a viable solution. Different frameworks   and platforms are available to solve DML problems. These platforms provide automated random data distribution of datasets which miss the power of user defined intelligent data partitioning based on domain knowledge. We have conducted an empirical study which uses an EEG Data Set collected through P300 Speller component of an ERP (Event Related Potential which is widely used in BCI problems; it helps in translating the intention of subject w h i l e performing any cognitive task. EEG data contains noise due to waves generated by other activities in the brain which contaminates true P300Speller. Use of Machine Learning techniques could help in detecting errors made by P300 Speller. We are solving this classification problem by partitioning data into different chunks and preparing distributed models using Elastic CV Classifier. To present a case of optimizing distributed machine learning, we propose an intelligent user defined data partitioning approach that could impact on the accuracy of distributed machine learners on average. Our results show better average AUC as compared to average AUC obtained after applying random data partitioning which gives no control to user over data partitioning. It improves the average accuracy of distributed learner due to the domain specific intelligent partitioning by the user. Our customized approach achieves 0.66 AUC on individual sessions and 0.75 AUC on mixed sessions, whereas random / uncontrolled data distribution records 0.63 AUC.

  6. LARGE-SCALE TOPOLOGICAL PROPERTIES OF MOLECULAR NETWORKS.

    Energy Technology Data Exchange (ETDEWEB)

    MASLOV,S.SNEPPEN,K.

    2003-11-17

    Bio-molecular networks lack the top-down design. Instead, selective forces of biological evolution shape them from raw material provided by random events such as gene duplications and single gene mutations. As a result individual connections in these networks are characterized by a large degree of randomness. One may wonder which connectivity patterns are indeed random, while which arose due to the network growth, evolution, and/or its fundamental design principles and limitations? Here we introduce a general method allowing one to construct a random null-model version of a given network while preserving the desired set of its low-level topological features, such as, e.g., the number of neighbors of individual nodes, the average level of modularity, preferential connections between particular groups of nodes, etc. Such a null-model network can then be used to detect and quantify the non-random topological patterns present in large networks. In particular, we measured correlations between degrees of interacting nodes in protein interaction and regulatory networks in yeast. It was found that in both these networks, links between highly connected proteins are systematically suppressed. This effect decreases the likelihood of cross-talk between different functional modules of the cell, and increases the overall robustness of a network by localizing effects of deleterious perturbations. It also teaches us about the overall computational architecture of such networks and points at the origin of large differences in the number of neighbors of individual nodes.

  7. Optimal sampling designs for large-scale fishery sample surveys in Greece

    Directory of Open Access Journals (Sweden)

    G. BAZIGOS

    2007-12-01

    The paper deals with the optimization of the following three large scale sample surveys: biological sample survey of commercial landings (BSCL, experimental fishing sample survey (EFSS, and commercial landings and effort sample survey (CLES.

  8. A Grouping Particle Swarm Optimizer with Personal-Best-Position Guidance for Large Scale Optimization.

    Science.gov (United States)

    Guo, Weian; Si, Chengyong; Xue, Yu; Mao, Yanfen; Wang, Lei; Wu, Qidi

    2017-05-04

    Particle Swarm Optimization (PSO) is a popular algorithm which is widely investigated and well implemented in many areas. However, the canonical PSO does not perform well in population diversity maintenance so that usually leads to a premature convergence or local optima. To address this issue, we propose a variant of PSO named Grouping PSO with Personal- Best-Position (Pbest) Guidance (GPSO-PG) which maintains the population diversity by preserving the diversity of exemplars. On one hand, we adopt uniform random allocation strategy to assign particles into different groups and in each group the losers will learn from the winner. On the other hand, we employ personal historical best position of each particle in social learning rather than the current global best particle. In this way, the exemplars diversity increases and the effect from the global best particle is eliminated. We test the proposed algorithm to the benchmarks in CEC 2008 and CEC 2010, which concern the large scale optimization problems (LSOPs). By comparing several current peer algorithms, GPSO-PG exhibits a competitive performance to maintain population diversity and obtains a satisfactory performance to the problems.

  9. Optimization of large-scale heterogeneous system-of-systems models.

    Energy Technology Data Exchange (ETDEWEB)

    Parekh, Ojas; Watson, Jean-Paul; Phillips, Cynthia Ann; Siirola, John; Swiler, Laura Painton; Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Lee, Herbert K. H. (University of California, Santa Cruz, Santa Cruz, CA); Hart, William Eugene; Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Woodruff, David L. (University of California, Davis, Davis, CA)

    2012-01-01

    Decision makers increasingly rely on large-scale computational models to simulate and analyze complex man-made systems. For example, computational models of national infrastructures are being used to inform government policy, assess economic and national security risks, evaluate infrastructure interdependencies, and plan for the growth and evolution of infrastructure capabilities. A major challenge for decision makers is the analysis of national-scale models that are composed of interacting systems: effective integration of system models is difficult, there are many parameters to analyze in these systems, and fundamental modeling uncertainties complicate analysis. This project is developing optimization methods to effectively represent and analyze large-scale heterogeneous system of systems (HSoS) models, which have emerged as a promising approach for describing such complex man-made systems. These optimization methods enable decision makers to predict future system behavior, manage system risk, assess tradeoffs between system criteria, and identify critical modeling uncertainties.

  10. A Dynamic Optimization Strategy for the Operation of Large Scale Seawater Reverses Osmosis System

    Directory of Open Access Journals (Sweden)

    Aipeng Jiang

    2014-01-01

    Full Text Available In this work, an efficient strategy was proposed for efficient solution of the dynamic model of SWRO system. Since the dynamic model is formulated by a set of differential-algebraic equations, simultaneous strategies based on collocations on finite element were used to transform the DAOP into large scale nonlinear programming problem named Opt2. Then, simulation of RO process and storage tanks was carried element by element and step by step with fixed control variables. All the obtained values of these variables then were used as the initial value for the optimal solution of SWRO system. Finally, in order to accelerate the computing efficiency and at the same time to keep enough accuracy for the solution of Opt2, a simple but efficient finite element refinement rule was used to reduce the scale of Opt2. The proposed strategy was applied to a large scale SWRO system with 8 RO plants and 4 storage tanks as case study. Computing result shows that the proposed strategy is quite effective for optimal operation of the large scale SWRO system; the optimal problem can be successfully solved within decades of iterations and several minutes when load and other operating parameters fluctuate.

  11. A fast and optimized dynamic economic load dispatch for large scale power systems

    International Nuclear Information System (INIS)

    Musse Mohamud Ahmed; Mohd Ruddin Ab Ghani; Ismail Hassan

    2000-01-01

    This paper presents Lagrangian Multipliers (LM) and Linear Programming (LP) based dynamic economic load dispatch (DELD) solution for large-scale power system operations. It is to minimize the operation cost of power generation. units subject to the considered constraints. After individual generator units are economically loaded and periodically dispatched, fast and optimized DELD has been achieved. DELD with period intervals has been taken into consideration The results found from the algorithm based on LM and LP techniques appear to be modest in both optimizing the operation cost and achieving fast computation. (author)

  12. Computational challenges of large-scale, long-time, first-principles molecular dynamics

    International Nuclear Information System (INIS)

    Kent, P R C

    2008-01-01

    Plane wave density functional calculations have traditionally been able to use the largest available supercomputing resources. We analyze the scalability of modern projector-augmented wave implementations to identify the challenges in performing molecular dynamics calculations of large systems containing many thousands of electrons. Benchmark calculations on the Cray XT4 demonstrate that global linear-algebra operations are the primary reason for limited parallel scalability. Plane-wave related operations can be made sufficiently scalable. Improving parallel linear-algebra performance is an essential step to reaching longer timescales in future large-scale molecular dynamics calculations

  13. Thermal System Analysis and Optimization of Large-Scale Compressed Air Energy Storage (CAES

    Directory of Open Access Journals (Sweden)

    Zhongguang Fu

    2015-08-01

    Full Text Available As an important solution to issues regarding peak load and renewable energy resources on grids, large-scale compressed air energy storage (CAES power generation technology has recently become a popular research topic in the area of large-scale industrial energy storage. At present, the combination of high-expansion ratio turbines with advanced gas turbine technology is an important breakthrough in energy storage technology. In this study, a new gas turbine power generation system is coupled with current CAES technology. Moreover, a thermodynamic cycle system is optimized by calculating for the parameters of a thermodynamic system. Results show that the thermal efficiency of the new system increases by at least 5% over that of the existing system.

  14. Hierarchical approach to optimization of parallel matrix multiplication on large-scale platforms

    KAUST Repository

    Hasanov, Khalid

    2014-03-04

    © 2014, Springer Science+Business Media New York. Many state-of-the-art parallel algorithms, which are widely used in scientific applications executed on high-end computing systems, were designed in the twentieth century with relatively small-scale parallelism in mind. Indeed, while in 1990s a system with few hundred cores was considered a powerful supercomputer, modern top supercomputers have millions of cores. In this paper, we present a hierarchical approach to optimization of message-passing parallel algorithms for execution on large-scale distributed-memory systems. The idea is to reduce the communication cost by introducing hierarchy and hence more parallelism in the communication scheme. We apply this approach to SUMMA, the state-of-the-art parallel algorithm for matrix–matrix multiplication, and demonstrate both theoretically and experimentally that the modified Hierarchical SUMMA significantly improves the communication cost and the overall performance on large-scale platforms.

  15. Model-based plant-wide optimization of large-scale lignocellulosic bioethanol plants

    DEFF Research Database (Denmark)

    Prunescu, Remus Mihail; Blanke, Mogens; Jakobsen, Jon Geest

    2017-01-01

    Second generation biorefineries transform lignocellulosic biomass into chemicals with higher added value following a conversion mechanism that consists of: pretreatment, enzymatic hydrolysis, fermentation and purification. The objective of this study is to identify the optimal operational point...... with respect to maximum economic profit of a large scale biorefinery plant using a systematic model-based plantwide optimization methodology. The following key process parameters are identified as decision variables: pretreatment temperature, enzyme dosage in enzymatic hydrolysis, and yeast loading per batch...... in fermentation. The plant is treated in an integrated manner taking into account the interactions and trade-offs between the conversion steps. A sensitivity and uncertainty analysis follows at the optimal solution considering both model and feed parameters. It is found that the optimal point is more sensitive...

  16. Final Report: Large-Scale Optimization for Bayesian Inference in Complex Systems

    Energy Technology Data Exchange (ETDEWEB)

    Ghattas, Omar [The University of Texas at Austin

    2013-10-15

    The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimiza- tion) Project focuses on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimiza- tion and inversion methods. Our research is directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. Our efforts are integrated in the context of a challenging testbed problem that considers subsurface reacting flow and transport. The MIT component of the SAGUARO Project addresses the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas-Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to- observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as "reduce then sample" and "sample then reduce." In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to achieve their speedups.

  17. Subspace Barzilai-Borwein Gradient Method for Large-Scale Bound Constrained Optimization

    International Nuclear Information System (INIS)

    Xiao Yunhai; Hu Qingjie

    2008-01-01

    An active set subspace Barzilai-Borwein gradient algorithm for large-scale bound constrained optimization is proposed. The active sets are estimated by an identification technique. The search direction consists of two parts: some of the components are simply defined; the other components are determined by the Barzilai-Borwein gradient method. In this work, a nonmonotone line search strategy that guarantees global convergence is used. Preliminary numerical results show that the proposed method is promising, and competitive with the well-known method SPG on a subset of bound constrained problems from CUTEr collection

  18. Using Agent Base Models to Optimize Large Scale Network for Large System Inventories

    Science.gov (United States)

    Shameldin, Ramez Ahmed; Bowling, Shannon R.

    2010-01-01

    The aim of this paper is to use Agent Base Models (ABM) to optimize large scale network handling capabilities for large system inventories and to implement strategies for the purpose of reducing capital expenses. The models used in this paper either use computational algorithms or procedure implementations developed by Matlab to simulate agent based models in a principal programming language and mathematical theory using clusters, these clusters work as a high performance computational performance to run the program in parallel computational. In both cases, a model is defined as compilation of a set of structures and processes assumed to underlie the behavior of a network system.

  19. Optimizing Prediction Using Bayesian Model Averaging: Examples Using Large-Scale Educational Assessments.

    Science.gov (United States)

    Kaplan, David; Lee, Chansoon

    2018-01-01

    This article provides a review of Bayesian model averaging as a means of optimizing the predictive performance of common statistical models applied to large-scale educational assessments. The Bayesian framework recognizes that in addition to parameter uncertainty, there is uncertainty in the choice of models themselves. A Bayesian approach to addressing the problem of model uncertainty is the method of Bayesian model averaging. Bayesian model averaging searches the space of possible models for a set of submodels that satisfy certain scientific principles and then averages the coefficients across these submodels weighted by each model's posterior model probability (PMP). Using the weighted coefficients for prediction has been shown to yield optimal predictive performance according to certain scoring rules. We demonstrate the utility of Bayesian model averaging for prediction in education research with three examples: Bayesian regression analysis, Bayesian logistic regression, and a recently developed approach for Bayesian structural equation modeling. In each case, the model-averaged estimates are shown to yield better prediction of the outcome of interest than any submodel based on predictive coverage and the log-score rule. Implications for the design of large-scale assessments when the goal is optimal prediction in a policy context are discussed.

  20. Mathematical methods in material science and large scale optimization workshops: Final report, June 1, 1995-November 30, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Friedman, A. [Minnesota Univ., Minneapolis, MN (United States). Inst. for Mathematics and Its Applications

    1996-12-01

    The summer program in Large Scale Optimization concentrated largely on process engineering, aerospace engineering, inverse problems and optimal design, and molecular structure and protein folding. The program brought together application people, optimizers, and mathematicians with interest in learning about these topics. Three proceedings volumes are being prepared. The year in Materials Sciences deals with disordered media and percolation, phase transformations, composite materials, microstructure; topological and geometric methods as well as statistical mechanics approach to polymers (included were Monte Carlo simulation for polymers); miscellaneous other topics such as nonlinear optical material, particulate flow, and thin film. All these activities saw strong interaction among material scientists, mathematicians, physicists, and engineers. About 8 proceedings volumes are being prepared.

  1. Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods

    International Nuclear Information System (INIS)

    Gray, S.K.; Noid, D.W.; Sumpter, B.G.

    1994-01-01

    We test the suitability of a variety of explicit symplectic integrators for molecular dynamics calculations on Hamiltonian systems. These integrators are extremely simple algorithms with low memory requirements, and appear to be well suited for large scale simulations. We first apply all the methods to a simple test case using the ideas of Berendsen and van Gunsteren. We then use the integrators to generate long time trajectories of a 1000 unit polyethylene chain. Calculations are also performed with two popular but nonsymplectic integrators. The most efficient integrators of the set investigated are deduced. We also discuss certain variations on the basic symplectic integration technique

  2. Process optimization of large-scale production of recombinant adeno-associated vectors using dielectric spectroscopy.

    Science.gov (United States)

    Negrete, Alejandro; Esteban, Geoffrey; Kotin, Robert M

    2007-09-01

    A well-characterized manufacturing process for the large-scale production of recombinant adeno-associated vectors (rAAV) for gene therapy applications is required to meet current and future demands for pre-clinical and clinical studies and potential commercialization. Economic considerations argue in favor of suspension culture-based production. Currently, the only feasible method for large-scale rAAV production utilizes baculovirus expression vectors and insect cells in suspension cultures. To maximize yields and achieve reproducibility between batches, online monitoring of various metabolic and physical parameters is useful for characterizing early stages of baculovirus-infected insect cells. In this study, rAAVs were produced at 40-l scale yielding ~1 x 10(15) particles. During the process, dielectric spectroscopy was performed by real time scanning in radio frequencies between 300 kHz and 10 MHz. The corresponding permittivity values were correlated with the rAAV production. Both infected and uninfected reached a maximum value; however, only infected cell cultures permittivity profile reached a second maximum value. This effect was correlated with the optimal harvest time for rAAV production. Analysis of rAAV indicated the harvesting time around 48 h post-infection (hpi), and 72 hpi produced similar quantities of biologically active rAAV. Thus, if operated continuously, the 24-h reduction in the production process of rAAV gives sufficient time for additional 18 runs a year corresponding to an extra production of ~2 x 10(16) particles. As part of large-scale optimization studies, this new finding will facilitate the bioprocessing scale-up of rAAV and other bioproducts.

  3. A new hybrid meta-heuristic algorithm for optimal design of large-scale dome structures

    Science.gov (United States)

    Kaveh, A.; Ilchi Ghazaan, M.

    2018-02-01

    In this article a hybrid algorithm based on a vibrating particles system (VPS) algorithm, multi-design variable configuration (Multi-DVC) cascade optimization, and an upper bound strategy (UBS) is presented for global optimization of large-scale dome truss structures. The new algorithm is called MDVC-UVPS in which the VPS algorithm acts as the main engine of the algorithm. The VPS algorithm is one of the most recent multi-agent meta-heuristic algorithms mimicking the mechanisms of damped free vibration of single degree of freedom systems. In order to handle a large number of variables, cascade sizing optimization utilizing a series of DVCs is used. Moreover, the UBS is utilized to reduce the computational time. Various dome truss examples are studied to demonstrate the effectiveness and robustness of the proposed method, as compared to some existing structural optimization techniques. The results indicate that the MDVC-UVPS technique is a powerful search and optimization method for optimizing structural engineering problems.

  4. Comparison of particle swarm optimization and dynamic programming for large scale hydro unit load dispatch

    International Nuclear Information System (INIS)

    Cheng Chuntian; Liao Shengli; Tang Zitian; Zhao Mingyan

    2009-01-01

    Dynamic programming (DP) is one of classic and sophisticated optimization methods that have successfully been applied to solve the problem of hydro unit load dispatch (HULD). However, DP will be faced with the curse of dimensionality with the increase of unit number and installed generating capacity of hydropower station. With the appearance of the huge hydropower station similar to the Three George with 26 generators of 700 MW, it is hard to apply the DP to large scale HULD problem. It is crucial to seek for other optimization techniques in order to improve the operation quality and efficiency. Different with the most of literature about power generation scheduling that focused on the comparisons of novel PSO algorithms with other techniques, the paper will pay emphasis on comparison study of PSO with DP based on a case hydropower station. The objective of study is to seek for an effective and feasible method for the large scale of hydropower station of the current and future in China. This paper first compares the performance of PSO and DP using a sample load curve of the Wujiangdu hydropower plant located in the upper stream of the Yangtze River in China and contained five units with the installed capacity of 1250 MW. Next, the effect of different load interval and unit number on the optimal results and efficiency of two methods has also been implemented. The comparison results show that the PSO is feasible for HULD. Furthermore, we simulated the effect of the magnitude of unit number and load capacity on the optimal results and cost time. The simulation comparisons show that PSO has a great advantage over DP in the efficiency and will be one of effective methods for HULD problem of huge hydropower stations.

  5. Comparison of particle swarm optimization and dynamic programming for large scale hydro unit load dispatch

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Chuntian, E-mail: ctcheng@dlut.edu.c [Department of Civil and Hydraulic Engineering, Dalian University of Technology, 116024 Dalian (China); Liao Shengli; Tang Zitian [Department of Civil and Hydraulic Engineering, Dalian University of Technology, 116024 Dalian (China); Zhao Mingyan [Department of Environmental Science and Engineering, Tsinghua University, 100084 Beijing (China)

    2009-12-15

    Dynamic programming (DP) is one of classic and sophisticated optimization methods that have successfully been applied to solve the problem of hydro unit load dispatch (HULD). However, DP will be faced with the curse of dimensionality with the increase of unit number and installed generating capacity of hydropower station. With the appearance of the huge hydropower station similar to the Three George with 26 generators of 700 MW, it is hard to apply the DP to large scale HULD problem. It is crucial to seek for other optimization techniques in order to improve the operation quality and efficiency. Different with the most of literature about power generation scheduling that focused on the comparisons of novel PSO algorithms with other techniques, the paper will pay emphasis on comparison study of PSO with DP based on a case hydropower station. The objective of study is to seek for an effective and feasible method for the large scale of hydropower station of the current and future in China. This paper first compares the performance of PSO and DP using a sample load curve of the Wujiangdu hydropower plant located in the upper stream of the Yangtze River in China and contained five units with the installed capacity of 1250 MW. Next, the effect of different load interval and unit number on the optimal results and efficiency of two methods has also been implemented. The comparison results show that the PSO is feasible for HULD. Furthermore, we simulated the effect of the magnitude of unit number and load capacity on the optimal results and cost time. The simulation comparisons show that PSO has a great advantage over DP in the efficiency and will be one of effective methods for HULD problem of huge hydropower stations.

  6. Comparison of particle swarm optimization and dynamic programming for large scale hydro unit load dispatch

    Energy Technology Data Exchange (ETDEWEB)

    Chun-tian Cheng; Sheng-li Liao; Zi-Tian Tang [Dept. of Civil and Hydraulic Engineering, Dalian Univ. of Technology, 116024 Dalian (China); Ming-yan Zhao [Dept. of Environmental Science and Engineering, Tsinghua Univ., 100084 Beijing (China)

    2009-12-15

    Dynamic programming (DP) is one of classic and sophisticated optimization methods that have successfully been applied to solve the problem of hydro unit load dispatch (HULD). However, DP will be faced with the curse of dimensionality with the increase of unit number and installed generating capacity of hydropower station. With the appearance of the huge hydropower station similar to the Three George with 26 generators of 700 MW, it is hard to apply the DP to large scale HULD problem. It is crucial to seek for other optimization techniques in order to improve the operation quality and efficiency. Different with the most of literature about power generation scheduling that focused on the comparisons of novel PSO algorithms with other techniques, the paper will pay emphasis on comparison study of PSO with DP based on a case hydropower station. The objective of study is to seek for an effective and feasible method for the large scale of hydropower station of the current and future in China. This paper first compares the performance of PSO and DP using a sample load curve of the Wujiangdu hydropower plant located in the upper stream of the Yangtze River in China and contained five units with the installed capacity of 1250 MW. Next, the effect of different load interval and unit number on the optimal results and efficiency of two methods has also been implemented. The comparison results show that the PSO is feasible for HULD. Furthermore, we simulated the effect of the magnitude of unit number and load capacity on the optimal results and cost time. The simulation comparisons show that PSO has a great advantage over DP in the efficiency and will be one of effective methods for HULD problem of huge hydropower stations. (author)

  7. A modular approach to large-scale design optimization of aerospace systems

    Science.gov (United States)

    Hwang, John T.

    Gradient-based optimization and the adjoint method form a synergistic combination that enables the efficient solution of large-scale optimization problems. Though the gradient-based approach struggles with non-smooth or multi-modal problems, the capability to efficiently optimize up to tens of thousands of design variables provides a valuable design tool for exploring complex tradeoffs and finding unintuitive designs. However, the widespread adoption of gradient-based optimization is limited by the implementation challenges for computing derivatives efficiently and accurately, particularly in multidisciplinary and shape design problems. This thesis addresses these difficulties in two ways. First, to deal with the heterogeneity and integration challenges of multidisciplinary problems, this thesis presents a computational modeling framework that solves multidisciplinary systems and computes their derivatives in a semi-automated fashion. This framework is built upon a new mathematical formulation developed in this thesis that expresses any computational model as a system of algebraic equations and unifies all methods for computing derivatives using a single equation. The framework is applied to two engineering problems: the optimization of a nanosatellite with 7 disciplines and over 25,000 design variables; and simultaneous allocation and mission optimization for commercial aircraft involving 330 design variables, 12 of which are integer variables handled using the branch-and-bound method. In both cases, the framework makes large-scale optimization possible by reducing the implementation effort and code complexity. The second half of this thesis presents a differentiable parametrization of aircraft geometries and structures for high-fidelity shape optimization. Existing geometry parametrizations are not differentiable, or they are limited in the types of shape changes they allow. This is addressed by a novel parametrization that smoothly interpolates aircraft

  8. Parallel Quasi Newton Algorithms for Large Scale Non Linear Unconstrained Optimization

    International Nuclear Information System (INIS)

    Rahman, M. A.; Basarudin, T.

    1997-01-01

    This paper discusses about Quasi Newton (QN) method to solve non-linear unconstrained minimization problems. One of many important of QN method is choice of matrix Hk. to be positive definite and satisfies to QN method. Our interest here is the parallel QN methods which will suite for the solution of large-scale optimization problems. The QN methods became less attractive in large-scale problems because of the storage and computational requirements. How ever, it is often the case that the Hessian is space matrix. In this paper we include the mechanism of how to reduce the Hessian update and hold the Hessian properties.One major reason of our research is that the QN method may be good in solving certain type of minimization problems, but it is efficiency degenerate when is it applied to solve other category of problems. For this reason, we use an algorithm containing several direction strategies which are processed in parallel. We shall attempt to parallelized algorithm by exploring different search directions which are generated by various QN update during the minimization process. The different line search strategies will be employed simultaneously in the process of locating the minimum along each direction.The code of algorithm will be written in Occam language 2 which is run on the transputer machine

  9. Expectation propagation for large scale Bayesian inference of non-linear molecular networks from perturbation data.

    Science.gov (United States)

    Narimani, Zahra; Beigy, Hamid; Ahmad, Ashar; Masoudi-Nejad, Ali; Fröhlich, Holger

    2017-01-01

    Inferring the structure of molecular networks from time series protein or gene expression data provides valuable information about the complex biological processes of the cell. Causal network structure inference has been approached using different methods in the past. Most causal network inference techniques, such as Dynamic Bayesian Networks and ordinary differential equations, are limited by their computational complexity and thus make large scale inference infeasible. This is specifically true if a Bayesian framework is applied in order to deal with the unavoidable uncertainty about the correct model. We devise a novel Bayesian network reverse engineering approach using ordinary differential equations with the ability to include non-linearity. Besides modeling arbitrary, possibly combinatorial and time dependent perturbations with unknown targets, one of our main contributions is the use of Expectation Propagation, an algorithm for approximate Bayesian inference over large scale network structures in short computation time. We further explore the possibility of integrating prior knowledge into network inference. We evaluate the proposed model on DREAM4 and DREAM8 data and find it competitive against several state-of-the-art existing network inference methods.

  10. Large-Scale Portfolio Optimization Using Multiobjective Evolutionary Algorithms and Preselection Methods

    Directory of Open Access Journals (Sweden)

    B. Y. Qu

    2017-01-01

    Full Text Available Portfolio optimization problems involve selection of different assets to invest in order to maximize the overall return and minimize the overall risk simultaneously. The complexity of the optimal asset allocation problem increases with an increase in the number of assets available to select from for investing. The optimization problem becomes computationally challenging when there are more than a few hundreds of assets to select from. To reduce the complexity of large-scale portfolio optimization, two asset preselection procedures that consider return and risk of individual asset and pairwise correlation to remove assets that may not potentially be selected into any portfolio are proposed in this paper. With these asset preselection methods, the number of assets considered to be included in a portfolio can be increased to thousands. To test the effectiveness of the proposed methods, a Normalized Multiobjective Evolutionary Algorithm based on Decomposition (NMOEA/D algorithm and several other commonly used multiobjective evolutionary algorithms are applied and compared. Six experiments with different settings are carried out. The experimental results show that with the proposed methods the simulation time is reduced while return-risk trade-off performances are significantly improved. Meanwhile, the NMOEA/D is able to outperform other compared algorithms on all experiments according to the comparative analysis.

  11. Automatic Optimization for Large-Scale Real-Time Coastal Water Simulation

    Directory of Open Access Journals (Sweden)

    Shunli Wang

    2016-01-01

    Full Text Available We introduce an automatic optimization approach for the simulation of large-scale coastal water. To solve the singular problem of water waves obtained with the traditional model, a hybrid deep-shallow-water model is estimated by using an automatic coupling algorithm. It can handle arbitrary water depth and different underwater terrain. As a certain feature of coastal terrain, coastline is detected with the collision detection technology. Then, unnecessary water grid cells are simplified by the automatic simplification algorithm according to the depth. Finally, the model is calculated on Central Processing Unit (CPU and the simulation is implemented on Graphics Processing Unit (GPU. We show the effectiveness of our method with various results which achieve real-time rendering on consumer-level computer.

  12. Fast Bound Methods for Large Scale Simulation with Application for Engineering Optimization

    Science.gov (United States)

    Patera, Anthony T.; Peraire, Jaime; Zang, Thomas A. (Technical Monitor)

    2002-01-01

    In this work, we have focused on fast bound methods for large scale simulation with application for engineering optimization. The emphasis is on the development of techniques that provide both very fast turnaround and a certificate of Fidelity; these attributes ensure that the results are indeed relevant to - and trustworthy within - the engineering context. The bound methodology which underlies this work has many different instantiations: finite element approximation; iterative solution techniques; and reduced-basis (parameter) approximation. In this grant we have, in fact, treated all three, but most of our effort has been concentrated on the first and third. We describe these below briefly - but with a pointer to an Appendix which describes, in some detail, the current "state of the art."

  13. Design specific joint optimization of masks and sources on a very large scale

    Science.gov (United States)

    Lai, K.; Gabrani, M.; Demaris, D.; Casati, N.; Torres, A.; Sarkar, S.; Strenski, P.; Bagheri, S.; Scarpazza, D.; Rosenbluth, A. E.; Melville, D. O.; Wächter, A.; Lee, J.; Austel, V.; Szeto-Millstone, M.; Tian, K.; Barahona, F.; Inoue, T.; Sakamoto, M.

    2011-04-01

    Joint optimization (JO) of source and mask together is known to produce better SMO solutions than sequential optimization of the source and the mask. However, large scale JO problems are very difficult to solve because the global impact of the source variables causes an enormous number of mask variables to be coupled together. This work presents innovation that minimize this runtime bottleneck. The proposed SMO parallelization algorithm allows separate mask regions to be processed efficiently across multiple CPUs in a high performance computing (HPC) environment, despite the fact that a truly joint optimization is being carried out with source variables that interact across the entire mask. Building on this engine a progressive deletion (PD) method was developed that can directly compute "binding constructs" for the optimization, i.e. our method can essentially determine the particular feature content which limits the process window attainable by the optimum source. This method allows us to minimize the uncertainty inherent to different clustering/ranking methods in seeking an overall optimum source that results from the use of heuristic metrics. An objective benchmarking of the effectiveness of different pattern sampling methods was performed during postoptimization analysis. The PD serves as a golden standard for us to develop optimum pattern clustering/ranking algorithms. With this work, it is shown that it is not necessary to exhaustively optimize the entire mask together with the source in order to identify these binding clips. If the number of clips to be optimized exceeds the practical limit of the parallel SMO engine one can starts with a pattern selection step to achieve high clip count compression before SMO. With this LSSO capability one can address the challenging problem of layout-specific design, or improve the technology source as cell layouts and sample layouts replace lithography test structures in the development cycle.

  14. An optimal beam alignment method for large-scale distributed space surveillance radar system

    Science.gov (United States)

    Huang, Jian; Wang, Dongya; Xia, Shuangzhi

    2018-06-01

    Large-scale distributed space surveillance radar is a very important ground-based equipment to maintain a complete catalogue for Low Earth Orbit (LEO) space debris. However, due to the thousands of kilometers distance between each sites of the distributed radar system, how to optimally implement the Transmitting/Receiving (T/R) beams alignment in a great space using the narrow beam, which proposed a special and considerable technical challenge in the space surveillance area. According to the common coordinate transformation model and the radar beam space model, we presented a two dimensional projection algorithm for T/R beam using the direction angles, which could visually describe and assess the beam alignment performance. Subsequently, the optimal mathematical models for the orientation angle of the antenna array, the site location and the T/R beam coverage are constructed, and also the beam alignment parameters are precisely solved. At last, we conducted the optimal beam alignment experiments base on the site parameters of Air Force Space Surveillance System (AFSSS). The simulation results demonstrate the correctness and effectiveness of our novel method, which can significantly stimulate the construction for the LEO space debris surveillance equipment.

  15. Optimal Capacity Allocation of Large-Scale Wind-PV-Battery Units

    Directory of Open Access Journals (Sweden)

    Kehe Wu

    2014-01-01

    Full Text Available An optimal capacity allocation of large-scale wind-photovoltaic- (PV- battery units was proposed. First, an output power model was established according to meteorological conditions. Then, a wind-PV-battery unit was connected to the power grid as a power-generation unit with a rated capacity under a fixed coordinated operation strategy. Second, the utilization rate of renewable energy sources and maximum wind-PV complementation was considered and the objective function of full life cycle-net present cost (NPC was calculated through hybrid iteration/adaptive hybrid genetic algorithm (HIAGA. The optimal capacity ratio among wind generator, PV array, and battery device also was calculated simultaneously. A simulation was conducted based on the wind-PV-battery unit in Zhangbei, China. Results showed that a wind-PV-battery unit could effectively minimize the NPC of power-generation units under a stable grid-connected operation. Finally, the sensitivity analysis of the wind-PV-battery unit demonstrated that the optimization result was closely related to potential wind-solar resources and government support. Regions with rich wind resources and a reasonable government energy policy could improve the economic efficiency of their power-generation units.

  16. Large-scale conformational changes of Trypanosoma cruzi proline racemase predicted by accelerated molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    César Augusto F de Oliveira

    2011-10-01

    Full Text Available Chagas' disease, caused by the protozoan parasite Trypanosoma cruzi (T. cruzi, is a life-threatening illness affecting 11-18 million people. Currently available treatments are limited, with unacceptable efficacy and safety profiles. Recent studies have revealed an essential T. cruzi proline racemase enzyme (TcPR as an attractive candidate for improved chemotherapeutic intervention. Conformational changes associated with substrate binding to TcPR are believed to expose critical residues that elicit a host mitogenic B-cell response, a process contributing to parasite persistence and immune system evasion. Characterization of the conformational states of TcPR requires access to long-time-scale motions that are currently inaccessible by standard molecular dynamics simulations. Here we describe advanced accelerated molecular dynamics that extend the effective simulation time and capture large-scale motions of functional relevance. Conservation and fragment mapping analyses identified potential conformational epitopes located in the vicinity of newly identified transient binding pockets. The newly identified open TcPR conformations revealed by this study along with knowledge of the closed to open interconversion mechanism advances our understanding of TcPR function. The results and the strategy adopted in this work constitute an important step toward the rationalization of the molecular basis behind the mitogenic B-cell response of TcPR and provide new insights for future structure-based drug discovery.

  17. a Stochastic Approach to Multiobjective Optimization of Large-Scale Water Reservoir Networks

    Science.gov (United States)

    Bottacin-Busolin, A.; Worman, A. L.

    2013-12-01

    A main challenge for the planning and management of water resources is the development of multiobjective strategies for operation of large-scale water reservoir networks. The optimal sequence of water releases from multiple reservoirs depends on the stochastic variability of correlated hydrologic inflows and on various processes that affect water demand and energy prices. Although several methods have been suggested, large-scale optimization problems arising in water resources management are still plagued by the high dimensional state space and by the stochastic nature of the hydrologic inflows. In this work, the optimization of reservoir operation is approached using approximate dynamic programming (ADP) with policy iteration and function approximators. The method is based on an off-line learning process in which operating policies are evaluated for a number of stochastic inflow scenarios, and the resulting value functions are used to design new, improved policies until convergence is attained. A case study is presented of a multi-reservoir system in the Dalälven River, Sweden, which includes 13 interconnected reservoirs and 36 power stations. Depending on the late spring and summer peak discharges, the lowlands adjacent to Dalälven can often be flooded during the summer period, and the presence of stagnating floodwater during the hottest months of the year is the cause of a large proliferation of mosquitos, which is a major problem for the people living in the surroundings. Chemical pesticides are currently being used as a preventive countermeasure, which do not provide an effective solution to the problem and have adverse environmental impacts. In this study, ADP was used to analyze the feasibility of alternative operating policies for reducing the flood risk at a reasonable economic cost for the hydropower companies. To this end, mid-term operating policies were derived by combining flood risk reduction with hydropower production objectives. The performance

  18. Optimization and large scale computation of an entropy-based moment closure

    Science.gov (United States)

    Kristopher Garrett, C.; Hauck, Cory; Hill, Judith

    2015-12-01

    We present computational advances and results in the implementation of an entropy-based moment closure, MN, in the context of linear kinetic equations, with an emphasis on heterogeneous and large-scale computing platforms. Entropy-based closures are known in several cases to yield more accurate results than closures based on standard spectral approximations, such as PN, but the computational cost is generally much higher and often prohibitive. Several optimizations are introduced to improve the performance of entropy-based algorithms over previous implementations. These optimizations include the use of GPU acceleration and the exploitation of the mathematical properties of spherical harmonics, which are used as test functions in the moment formulation. To test the emerging high-performance computing paradigm of communication bound simulations, we present timing results at the largest computational scales currently available. These results show, in particular, load balancing issues in scaling the MN algorithm that do not appear for the PN algorithm. We also observe that in weak scaling tests, the ratio in time to solution of MN to PN decreases.

  19. Derivation of Optimal Operating Rules for Large-scale Reservoir Systems Considering Multiple Trade-off

    Science.gov (United States)

    Zhang, J.; Lei, X.; Liu, P.; Wang, H.; Li, Z.

    2017-12-01

    Flood control operation of multi-reservoir systems such as parallel reservoirs and hybrid reservoirs often suffer from complex interactions and trade-off among tributaries and the mainstream. The optimization of such systems is computationally intensive due to nonlinear storage curves, numerous constraints and complex hydraulic connections. This paper aims to derive the optimal flood control operating rules based on the trade-off among tributaries and the mainstream using a new algorithm known as weighted non-dominated sorting genetic algorithm II (WNSGA II). WNSGA II could locate the Pareto frontier in non-dominated region efficiently due to the directed searching by weighted crowding distance, and the results are compared with those of conventional operating rules (COR) and single objective genetic algorithm (GA). Xijiang river basin in China is selected as a case study, with eight reservoirs and five flood control sections within four tributaries and the mainstream. Furthermore, the effects of inflow uncertainty have been assessed. Results indicate that: (1) WNSGA II could locate the non-dominated solutions faster and provide better Pareto frontier than the traditional non-dominated sorting genetic algorithm II (NSGA II) due to the weighted crowding distance; (2) WNSGA II outperforms COR and GA on flood control in the whole basin; (3) The multi-objective operating rules from WNSGA II deal with the inflow uncertainties better than COR. Therefore, the WNSGA II can be used to derive stable operating rules for large-scale reservoir systems effectively and efficiently.

  20. Cooperative Coevolution with Formula-Based Variable Grouping for Large-Scale Global Optimization.

    Science.gov (United States)

    Wang, Yuping; Liu, Haiyan; Wei, Fei; Zong, Tingting; Li, Xiaodong

    2017-08-09

    For a large-scale global optimization (LSGO) problem, divide-and-conquer is usually considered an effective strategy to decompose the problem into smaller subproblems, each of which can then be solved individually. Among these decomposition methods, variable grouping is shown to be promising in recent years. Existing variable grouping methods usually assume the problem to be black-box (i.e., assuming that an analytical model of the objective function is unknown), and they attempt to learn appropriate variable grouping that would allow for a better decomposition of the problem. In such cases, these variable grouping methods do not make a direct use of the formula of the objective function. However, it can be argued that many real-world problems are white-box problems, that is, the formulas of objective functions are often known a priori. These formulas of the objective functions provide rich information which can then be used to design an effective variable group method. In this article, a formula-based grouping strategy (FBG) for white-box problems is first proposed. It groups variables directly via the formula of an objective function which usually consists of a finite number of operations (i.e., four arithmetic operations "[Formula: see text]", "[Formula: see text]", "[Formula: see text]", "[Formula: see text]" and composite operations of basic elementary functions). In FBG, the operations are classified into two classes: one resulting in nonseparable variables, and the other resulting in separable variables. In FBG, variables can be automatically grouped into a suitable number of non-interacting subcomponents, with variables in each subcomponent being interdependent. FBG can easily be applied to any white-box problem and can be integrated into a cooperative coevolution framework. Based on FBG, a novel cooperative coevolution algorithm with formula-based variable grouping (so-called CCF) is proposed in this article for decomposing a large-scale white-box problem

  1. Assessment of economically optimal water management and geospatial potential for large-scale water storage

    Science.gov (United States)

    Weerasinghe, Harshi; Schneider, Uwe A.

    2010-05-01

    Assessment of economically optimal water management and geospatial potential for large-scale water storage Weerasinghe, Harshi; Schneider, Uwe A Water is an essential but limited and vulnerable resource for all socio-economic development and for maintaining healthy ecosystems. Water scarcity accelerated due to population expansion, improved living standards, and rapid growth in economic activities, has profound environmental and social implications. These include severe environmental degradation, declining groundwater levels, and increasing problems of water conflicts. Water scarcity is predicted to be one of the key factors limiting development in the 21st century. Climate scientists have projected spatial and temporal changes in precipitation and changes in the probability of intense floods and droughts in the future. As scarcity of accessible and usable water increases, demand for efficient water management and adaptation strategies increases as well. Addressing water scarcity requires an intersectoral and multidisciplinary approach in managing water resources. This would in return safeguard the social welfare and the economical benefit to be at their optimal balance without compromising the sustainability of ecosystems. This paper presents a geographically explicit method to assess the potential for water storage with reservoirs and a dynamic model that identifies the dimensions and material requirements under an economically optimal water management plan. The methodology is applied to the Elbe and Nile river basins. Input data for geospatial analysis at watershed level are taken from global data repositories and include data on elevation, rainfall, soil texture, soil depth, drainage, land use and land cover; which are then downscaled to 1km spatial resolution. Runoff potential for different combinations of land use and hydraulic soil groups and for mean annual precipitation levels are derived by the SCS-CN method. Using the overlay and decision tree algorithms

  2. Evaluation of Kirkwood-Buff integrals via finite size scaling: a large scale molecular dynamics study

    Science.gov (United States)

    Dednam, W.; Botha, A. E.

    2015-01-01

    Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution

  3. Evaluation of Kirkwood-Buff integrals via finite size scaling: a large scale molecular dynamics study

    International Nuclear Information System (INIS)

    Dednam, W; Botha, A E

    2015-01-01

    Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution

  4. Properties of liquid clusters in large-scale molecular dynamics nucleation simulations

    International Nuclear Information System (INIS)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu

    2014-01-01

    We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates

  5. The Modified HZ Conjugate Gradient Algorithm for Large-Scale Nonsmooth Optimization.

    Science.gov (United States)

    Yuan, Gonglin; Sheng, Zhou; Liu, Wenjie

    2016-01-01

    In this paper, the Hager and Zhang (HZ) conjugate gradient (CG) method and the modified HZ (MHZ) CG method are presented for large-scale nonsmooth convex minimization. Under some mild conditions, convergent results of the proposed methods are established. Numerical results show that the presented methods can be better efficiency for large-scale nonsmooth problems, and several problems are tested (with the maximum dimensions to 100,000 variables).

  6. The Modified HZ Conjugate Gradient Algorithm for Large-Scale Nonsmooth Optimization.

    Directory of Open Access Journals (Sweden)

    Gonglin Yuan

    Full Text Available In this paper, the Hager and Zhang (HZ conjugate gradient (CG method and the modified HZ (MHZ CG method are presented for large-scale nonsmooth convex minimization. Under some mild conditions, convergent results of the proposed methods are established. Numerical results show that the presented methods can be better efficiency for large-scale nonsmooth problems, and several problems are tested (with the maximum dimensions to 100,000 variables.

  7. Improved decomposition–coordination and discrete differential dynamic programming for optimization of large-scale hydropower system

    International Nuclear Information System (INIS)

    Li, Chunlong; Zhou, Jianzhong; Ouyang, Shuo; Ding, Xiaoling; Chen, Lu

    2014-01-01

    Highlights: • Optimization of large-scale hydropower system in the Yangtze River basin. • Improved decomposition–coordination and discrete differential dynamic programming. • Generating initial solution randomly to reduce generation time. • Proposing relative coefficient for more power generation. • Proposing adaptive bias corridor technology to enhance convergence speed. - Abstract: With the construction of major hydro plants, more and more large-scale hydropower systems are taking shape gradually, which brings up a challenge to optimize these systems. Optimization of large-scale hydropower system (OLHS), which is to determine water discharges or water levels of overall hydro plants for maximizing total power generation when subjecting to lots of constrains, is a high dimensional, nonlinear and coupling complex problem. In order to solve the OLHS problem effectively, an improved decomposition–coordination and discrete differential dynamic programming (IDC–DDDP) method is proposed in this paper. A strategy that initial solution is generated randomly is adopted to reduce generation time. Meanwhile, a relative coefficient based on maximum output capacity is proposed for more power generation. Moreover, an adaptive bias corridor technology is proposed to enhance convergence speed. The proposed method is applied to long-term optimal dispatches of large-scale hydropower system (LHS) in the Yangtze River basin. Compared to other methods, IDC–DDDP has competitive performances in not only total power generation but also convergence speed, which provides a new method to solve the OLHS problem

  8. Large Scale Molecular Simulation of Nanoparticle-Biomolecule Interactions and their Implications in Nanomedicine

    Science.gov (United States)

    Zhou, Ruhong

    Nanoscale particles have become promising materials in various biomedical applications, however, in order to stimulate and facilitate these applications, there is an urgent need for a better understanding of their biological effects and related molecular mechanism/physics as well. In this talk, I will discuss some of our recent works, mostly molecular modelling, on nanotoxicity and their implications in de novo design of nanomedicine. We show that carbon-based nanoparticles (carbon nanotubes, graphene nanosheets, and fullerenes) can interact and disrupt the structures and functions of many important proteins. The hydrophobic interactions between the carbon nanotubes and hydrophobic residues, particularly aromatic residues through the so-called π- π stacking interactions, are found to play key roles. Meanwhile, metallofullerenol Gd@C82(OH)22 is found to inhibit tumour growth and metastases with both experimental and theoretical approaches. Graphene and graphene oxide (GO) nanosheets show strong destructive interactions to E. coli cell membranes (antibacterial activity) and A β amyloid fibrils (anti-AD, Alzheimer's disease, capability) with unique molecular mechanisms, while on the other hand, they also show a strong supportive role in enzyme immobilisation such as lipases through lid opening. In particular, the lid opening is assisted by lipase's sophisticated interaction with GO, which allows the adsorbed lipase to enhance its enzyme activity. The lipase enzymatic activity can be further optimized through fine tuning of the GO surface hydrophobicity. These findings might provide a better understanding of ``nanotoxicity'' at the molecular level with implications in de novo nanomedicine design.

  9. EFFECTS OF LARGE-SCALE POULTRY FARMS ON AQUATIC MICROBIAL COMMUNITIES: A MOLECULAR INVESTIGATION.

    Science.gov (United States)

    The effects of large-scale poultry production operations on water quality and human health are largely unknown. Poultry litter is frequently applied as fertilizer to agricultural lands adjacent to large poultry farms. Run-off from the land introduces a variety of stressors into t...

  10. Comparison of prestellar core elongations and large-scale molecular cloud structures in the Lupus I region

    Energy Technology Data Exchange (ETDEWEB)

    Poidevin, Frédérick [UCL, KLB, Department of Physics and Astronomy, Gower Place, London WC1E 6BT (United Kingdom); Ade, Peter A. R.; Hargrave, Peter C.; Nutter, David [School of Physics and Astronomy, Cardiff University, Queens Buildings, The Parade, Cardiff CF24 3AA (United Kingdom); Angile, Francesco E.; Devlin, Mark J.; Klein, Jeffrey [Department of Physics and Astronomy, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104 (United States); Benton, Steven J.; Netterfield, Calvin B. [Department of Physics, University of Toronto, 60 St. George Street, Toronto, ON M5S 1A7 (Canada); Chapin, Edward L. [XMM SOC, ESAC, Apartado 78, E-28691 Villanueva de la Canãda, Madrid (Spain); Fissel, Laura M.; Gandilo, Natalie N. [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Fukui, Yasuo [Department of Physics, Nagoya University, Chikusa-ku, Nagoya, Aichi 464-8601 (Japan); Gundersen, Joshua O. [Department of Physics, University of Miami, 1320 Campo Sano Drive, Coral Gables, FL 33146 (United States); Korotkov, Andrei L. [Department of Physics, Brown University, 182 Hope Street, Providence, RI 02912 (United States); Matthews, Tristan G.; Novak, Giles [Department of Physics and Astronomy, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208 (United States); Moncelsi, Lorenzo; Mroczkowski, Tony K. [California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Olmi, Luca, E-mail: fpoidevin@iac.es [Physics Department, University of Puerto Rico, Rio Piedras Campus, Box 23343, UPR station, San Juan, PR 00931 (United States); and others

    2014-08-10

    Turbulence and magnetic fields are expected to be important for regulating molecular cloud formation and evolution. However, their effects on sub-parsec to 100 parsec scales, leading to the formation of starless cores, are not well understood. We investigate the prestellar core structure morphologies obtained from analysis of the Herschel-SPIRE 350 μm maps of the Lupus I cloud. This distribution is first compared on a statistical basis to the large-scale shape of the main filament. We find the distribution of the elongation position angle of the cores to be consistent with a random distribution, which means no specific orientation of the morphology of the cores is observed with respect to the mean orientation of the large-scale filament in Lupus I, nor relative to a large-scale bent filament model. This distribution is also compared to the mean orientation of the large-scale magnetic fields probed at 350 μm with the Balloon-borne Large Aperture Telescope for Polarimetry during its 2010 campaign. Here again we do not find any correlation between the core morphology distribution and the average orientation of the magnetic fields on parsec scales. Our main conclusion is that the local filament dynamics—including secondary filaments that often run orthogonally to the primary filament—and possibly small-scale variations in the local magnetic field direction, could be the dominant factors for explaining the final orientation of each core.

  11. Optimal Siting and Sizing of Energy Storage System for Power Systems with Large-scale Wind Power Integration

    DEFF Research Database (Denmark)

    Zhao, Haoran; Wu, Qiuwei; Huang, Shaojun

    2015-01-01

    This paper proposes algorithms for optimal sitingand sizing of Energy Storage System (ESS) for the operationplanning of power systems with large scale wind power integration.The ESS in this study aims to mitigate the wind powerfluctuations during the interval between two rolling Economic......Dispatches (EDs) in order to maintain generation-load balance.The charging and discharging of ESS is optimized consideringoperation cost of conventional generators, capital cost of ESSand transmission losses. The statistics from simulated systemoperations are then coupled to the planning process to determinethe...

  12. A primal-dual interior point method for large-scale free material optimization

    DEFF Research Database (Denmark)

    Weldeyesus, Alemseged Gebrehiwot; Stolpe, Mathias

    2015-01-01

    Free Material Optimization (FMO) is a branch of structural optimization in which the design variable is the elastic material tensor that is allowed to vary over the design domain. The requirements are that the material tensor is symmetric positive semidefinite with bounded trace. The resulting...... optimization problem is a nonlinear semidefinite program with many small matrix inequalities for which a special-purpose optimization method should be developed. The objective of this article is to propose an efficient primal-dual interior point method for FMO that can robustly and accurately solve large...... of iterations the interior point method requires is modest and increases only marginally with problem size. The computed optimal solutions obtain a higher precision than other available special-purpose methods for FMO. The efficiency and robustness of the method is demonstrated by numerical experiments on a set...

  13. Optimized Large-scale CMB Likelihood and Quadratic Maximum Likelihood Power Spectrum Estimation

    Science.gov (United States)

    Gjerløw, E.; Colombo, L. P. L.; Eriksen, H. K.; Górski, K. M.; Gruppuso, A.; Jewell, J. B.; Plaszczynski, S.; Wehus, I. K.

    2015-11-01

    We revisit the problem of exact cosmic microwave background (CMB) likelihood and power spectrum estimation with the goal of minimizing computational costs through linear compression. This idea was originally proposed for CMB purposes by Tegmark et al., and here we develop it into a fully functioning computational framework for large-scale polarization analysis, adopting WMAP as a working example. We compare five different linear bases (pixel space, harmonic space, noise covariance eigenvectors, signal-to-noise covariance eigenvectors, and signal-plus-noise covariance eigenvectors) in terms of compression efficiency, and find that the computationally most efficient basis is the signal-to-noise eigenvector basis, which is closely related to the Karhunen-Loeve and Principal Component transforms, in agreement with previous suggestions. For this basis, the information in 6836 unmasked WMAP sky map pixels can be compressed into a smaller set of 3102 modes, with a maximum error increase of any single multipole of 3.8% at ℓ ≤ 32 and a maximum shift in the mean values of a joint distribution of an amplitude-tilt model of 0.006σ. This compression reduces the computational cost of a single likelihood evaluation by a factor of 5, from 38 to 7.5 CPU seconds, and it also results in a more robust likelihood by implicitly regularizing nearly degenerate modes. Finally, we use the same compression framework to formulate a numerically stable and computationally efficient variation of the Quadratic Maximum Likelihood implementation, which requires less than 3 GB of memory and 2 CPU minutes per iteration for ℓ ≤ 32, rendering low-ℓ QML CMB power spectrum analysis fully tractable on a standard laptop.

  14. Molecular device computer: point of departure for large scale cellular automata

    Energy Technology Data Exchange (ETDEWEB)

    Carter, F L

    1984-01-01

    Switching is possible at the molecular size level because of the conformational changes that occur. Three of the most promising switching mechanisms include electron tunnelling in short periodic arrays, soliton switching and soliton valving. Assuming a 3-d architecture and molecular dimensions, memory and switching elements with densities of 10/sup 15/ to 10 /sup 18/ elements per cc are possible. The active elements are connected together conceptionally with molecular wires like polysulfur nitride (sn)/sub x/ and polyacetylene (ch)/sub x/. Simple cellular automata involving soliton propagation in conjugated systems would include soliton valves and cyclic configurations of valves. In the latter, soliton propagation becomes isomorphous with group operations giving rise to possible non-binary finite-state machines. The development of a molecular electron device (MED) synthetic capability in combination with the above devices would suggest that large 3-d arrays of parallel processors will be possible with automata, biological, and crystallographic implications. 41 references.

  15. Large-scale regionalization of water table depth in peatlands optimized for greenhouse gas emission upscaling

    Science.gov (United States)

    Bechtold, M.; Tiemeyer, B.; Laggner, A.; Leppelt, T.; Frahm, E.; Belting, S.

    2014-09-01

    Fluxes of the three main greenhouse gases (GHG) CO2, CH4 and N2O from peat and other soils with high organic carbon contents are strongly controlled by water table depth. Information about the spatial distribution of water level is thus a crucial input parameter when upscaling GHG emissions to large scales. Here, we investigate the potential of statistical modeling for the regionalization of water levels in organic soils when data covers only a small fraction of the peatlands of the final map. Our study area is Germany. Phreatic water level data from 53 peatlands in Germany were compiled in a new data set comprising 1094 dip wells and 7155 years of data. For each dip well, numerous possible predictor variables were determined using nationally available data sources, which included information about land cover, ditch network, protected areas, topography, peatland characteristics and climatic boundary conditions. We applied boosted regression trees to identify dependencies between predictor variables and dip-well-specific long-term annual mean water level (WL) as well as a transformed form (WLt). The latter was obtained by assuming a hypothetical GHG transfer function and is linearly related to GHG emissions. Our results demonstrate that model calibration on WLt is superior. It increases the explained variance of the water level in the sensitive range for GHG emissions and avoids model bias in subsequent GHG upscaling. The final model explained 45% of WLt variance and was built on nine predictor variables that are based on information about land cover, peatland characteristics, drainage network, topography and climatic boundary conditions. Their individual effects on WLt and the observed parameter interactions provide insight into natural and anthropogenic boundary conditions that control water levels in organic soils. Our study also demonstrates that a large fraction of the observed WLt variance cannot be explained by nationally available predictor variables and

  16. Hierarchical approach to optimization of parallel matrix multiplication on large-scale platforms

    KAUST Repository

    Hasanov, Khalid; Quintin, Jean-Noë l; Lastovetsky, Alexey

    2014-01-01

    -scale parallelism in mind. Indeed, while in 1990s a system with few hundred cores was considered a powerful supercomputer, modern top supercomputers have millions of cores. In this paper, we present a hierarchical approach to optimization of message-passing parallel

  17. Self-optimizing Pitch Control for Large Scale Wind Turbine Based on ADRC

    Science.gov (United States)

    Xia, Anjun; Hu, Guoqing; Li, Zheng; Huang, Dongxiao; Wang, Fengxiang

    2018-01-01

    Since wind turbine is a complex nonlinear and strong coupling system, traditional PI control method can hardly achieve good control performance. A self-optimizing pitch control method based on the active-disturbance-rejection control theory is proposed in this paper. A linear model of the wind turbine is derived by linearizing the aerodynamic torque equation and the dynamic response of wind turbine is transformed into a first-order linear system. An expert system is designed to optimize the amplification coefficient according to the pitch rate and the speed deviation. The purpose of the proposed control method is to regulate the amplification coefficient automatically and keep the variations of pitch rate and rotor speed in proper ranges. Simulation results show that the proposed pitch control method has the ability to modify the amplification coefficient effectively, when it is not suitable, and keep the variations of pitch rate and rotor speed in proper ranges

  18. Crowdsourcing the General Public for Large Scale Molecular Pathology Studies in Cancer.

    Science.gov (United States)

    Candido Dos Reis, Francisco J; Lynn, Stuart; Ali, H Raza; Eccles, Diana; Hanby, Andrew; Provenzano, Elena; Caldas, Carlos; Howat, William J; McDuffus, Leigh-Anne; Liu, Bin; Daley, Frances; Coulson, Penny; Vyas, Rupesh J; Harris, Leslie M; Owens, Joanna M; Carton, Amy F M; McQuillan, Janette P; Paterson, Andy M; Hirji, Zohra; Christie, Sarah K; Holmes, Amber R; Schmidt, Marjanka K; Garcia-Closas, Montserrat; Easton, Douglas F; Bolla, Manjeet K; Wang, Qin; Benitez, Javier; Milne, Roger L; Mannermaa, Arto; Couch, Fergus; Devilee, Peter; Tollenaar, Robert A E M; Seynaeve, Caroline; Cox, Angela; Cross, Simon S; Blows, Fiona M; Sanders, Joyce; de Groot, Renate; Figueroa, Jonine; Sherman, Mark; Hooning, Maartje; Brenner, Hermann; Holleczek, Bernd; Stegmaier, Christa; Lintott, Chris; Pharoah, Paul D P

    2015-07-01

    Citizen science, scientific research conducted by non-specialists, has the potential to facilitate biomedical research using available large-scale data, however validating the results is challenging. The Cell Slider is a citizen science project that intends to share images from tumors with the general public, enabling them to score tumor markers independently through an internet-based interface. From October 2012 to June 2014, 98,293 Citizen Scientists accessed the Cell Slider web page and scored 180,172 sub-images derived from images of 12,326 tissue microarray cores labeled for estrogen receptor (ER). We evaluated the accuracy of Citizen Scientist's ER classification, and the association between ER status and prognosis by comparing their test performance against trained pathologists. The area under ROC curve was 0.95 (95% CI 0.94 to 0.96) for cancer cell identification and 0.97 (95% CI 0.96 to 0.97) for ER status. ER positive tumors scored by Citizen Scientists were associated with survival in a similar way to that scored by trained pathologists. Survival probability at 15 years were 0.78 (95% CI 0.76 to 0.80) for ER-positive and 0.72 (95% CI 0.68 to 0.77) for ER-negative tumors based on Citizen Scientists classification. Based on pathologist classification, survival probability was 0.79 (95% CI 0.77 to 0.81) for ER-positive and 0.71 (95% CI 0.67 to 0.74) for ER-negative tumors. The hazard ratio for death was 0.26 (95% CI 0.18 to 0.37) at diagnosis and became greater than one after 6.5 years of follow-up for ER scored by Citizen Scientists, and 0.24 (95% CI 0.18 to 0.33) at diagnosis increasing thereafter to one after 6.7 (95% CI 4.1 to 10.9) years of follow-up for ER scored by pathologists. Crowdsourcing of the general public to classify cancer pathology data for research is viable, engages the public and provides accurate ER data. Crowdsourced classification of research data may offer a valid solution to problems of throughput requiring human input.

  19. Large-scale molecular dynamics simulations of self-assembling systems.

    Science.gov (United States)

    Klein, Michael L; Shinoda, Wataru

    2008-08-08

    Relentless increases in the size and performance of multiprocessor computers, coupled with new algorithms and methods, have led to novel applications of simulations across chemistry. This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.

  20. Large scale IRAM 30 m CO-observations in the giant molecular cloud complex W43

    Science.gov (United States)

    Carlhoff, P.; Nguyen Luong, Q.; Schilke, P.; Motte, F.; Schneider, N.; Beuther, H.; Bontemps, S.; Heitsch, F.; Hill, T.; Kramer, C.; Ossenkopf, V.; Schuller, F.; Simon, R.; Wyrowski, F.

    2013-12-01

    We aim to fully describe the distribution and location of dense molecular clouds in the giant molecular cloud complex W43. It was previously identified as one of the most massive star-forming regions in our Galaxy. To trace the moderately dense molecular clouds in the W43 region, we initiated W43-HERO, a large program using the IRAM 30 m telescope, which covers a wide dynamic range of scales from 0.3 to 140 pc. We obtained on-the-fly-maps in 13CO (2-1) and C18O (2-1) with a high spectral resolution of 0.1 km s-1 and a spatial resolution of 12''. These maps cover an area of ~1.5 square degrees and include the two main clouds of W43 and the lower density gas surrounding them. A comparison to Galactic models and previous distance calculations confirms the location of W43 near the tangential point of the Scutum arm at approximately 6 kpc from the Sun. The resulting intensity cubes of the observed region are separated into subcubes, which are centered on single clouds and then analyzed in detail. The optical depth, excitation temperature, and H2 column density maps are derived out of the 13CO and C18O data. These results are then compared to those derived from Herschel dust maps. The mass of a typical cloud is several 104 M⊙ while the total mass in the dense molecular gas (>102 cm-3) in W43 is found to be ~1.9 × 106 M⊙. Probability distribution functions obtained from column density maps derived from molecular line data and Herschel imaging show a log-normal distribution for low column densities and a power-law tail for high densities. A flatter slope for the molecular line data probability distribution function may imply that those selectively show the gravitationally collapsing gas. Appendices are available in electronic form at http://www.aanda.orgThe final datacubes (13CO and C18O) for the entire survey are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/560/A24

  1. Large-scale theoretical calculations in molecular science - design of a large computer system for molecular science and necessary conditions for future computers

    Energy Technology Data Exchange (ETDEWEB)

    Kashiwagi, H [Institute for Molecular Science, Okazaki, Aichi (Japan)

    1982-06-01

    A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience.

  2. Large-scale theoretical calculations in molecular science - design of a large computer system for molecular science and necessary conditions for future computers

    International Nuclear Information System (INIS)

    Kashiwagi, H.

    1982-01-01

    A large computer system was designed and established for molecular science under the leadership of molecular scientists. Features of the computer system are an automated operation system and an open self-service system. Large-scale theoretical calculations have been performed to solve many problems in molecular science, using the computer system. Necessary conditions for future computers are discussed on the basis of this experience. (orig.)

  3. Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations

    DEFF Research Database (Denmark)

    Ørnsø, Kristian Baruël; Pedersen, Christian S.; García Lastra, Juan Maria

    2014-01-01

    different side and anchoring groups. Based on the calculated frontier orbital energies and optical gaps we quantify the energy level alignment with the TiO2 conduction band and different redox mediators. An analysis of the energy level-structure relationship reveals a significant structural diversity among...... the dyes with the highest level alignment quality, demonstrating the large degree of flexibility in porphyrin dye design. As a specific example of dye optimization, we show that the level alignment of the high efficiency record dye YD2-o-C8 [Yella et al., Science, 2011, 334, 629-634] can be significantly...

  4. Optimal Scheduling of Railway Track Possessions in Large-Scale Projects with Multiple Construction Works

    DEFF Research Database (Denmark)

    Li, Rui; Roberti, Roberto

    2017-01-01

    satisfying different operational constraints and minimizing the total construction cost. To find an optimal solution of the RTPSP, this paper proposes an approach that, first, transfers the nominal market prices into track-possession-based real prices, and then generates a schedule of the construction works...... by solving a mixed-integer linear-programming model for the given track blocking proposal. The proposed approach is tested on a real-life case study from the Danish railway infrastructure manager. The results show that, in 2 h of computing time, the approach is able to provide solutions that are within 0...

  5. Modeling ramp compression experiments using large-scale molecular dynamics simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Mattsson, Thomas Kjell Rene; Desjarlais, Michael Paul; Grest, Gary Stephen; Templeton, Jeremy Alan; Thompson, Aidan Patrick; Jones, Reese E.; Zimmerman, Jonathan A.; Baskes, Michael I. (University of California, San Diego); Winey, J. Michael (Washington State University); Gupta, Yogendra Mohan (Washington State University); Lane, J. Matthew D.; Ditmire, Todd (University of Texas at Austin); Quevedo, Hernan J. (University of Texas at Austin)

    2011-10-01

    Molecular dynamics simulation (MD) is an invaluable tool for studying problems sensitive to atomscale physics such as structural transitions, discontinuous interfaces, non-equilibrium dynamics, and elastic-plastic deformation. In order to apply this method to modeling of ramp-compression experiments, several challenges must be overcome: accuracy of interatomic potentials, length- and time-scales, and extraction of continuum quantities. We have completed a 3 year LDRD project with the goal of developing molecular dynamics simulation capabilities for modeling the response of materials to ramp compression. The techniques we have developed fall in to three categories (i) molecular dynamics methods (ii) interatomic potentials (iii) calculation of continuum variables. Highlights include the development of an accurate interatomic potential describing shock-melting of Beryllium, a scaling technique for modeling slow ramp compression experiments using fast ramp MD simulations, and a technique for extracting plastic strain from MD simulations. All of these methods have been implemented in Sandia's LAMMPS MD code, ensuring their widespread availability to dynamic materials research at Sandia and elsewhere.

  6. LARGE-SCALE CO MAPS OF THE LUPUS MOLECULAR CLOUD COMPLEX

    International Nuclear Information System (INIS)

    Tothill, N. F. H.; Loehr, A.; Stark, A. A.; Lane, A. P.; Harnett, J. I.; Bourke, T. L.; Myers, P. C.; Parshley, S. C.; Wright, G. A.; Walker, C. K.

    2009-01-01

    Fully sampled degree-scale maps of the 13 CO 2-1 and CO 4-3 transitions toward three members of the Lupus Molecular Cloud Complex-Lupus I, III, and IV-trace the column density and temperature of the molecular gas. Comparison with IR extinction maps from the c2d project requires most of the gas to have a temperature of 8-10 K. Estimates of the cloud mass from 13 CO emission are roughly consistent with most previous estimates, while the line widths are higher, around 2 km s -1 . CO 4-3 emission is found throughout Lupus I, indicating widespread dense gas, and toward Lupus III and IV. Enhanced line widths at the NW end and along the edge of the B 228 ridge in Lupus I, and a coherent velocity gradient across the ridge, are consistent with interaction between the molecular cloud and an expanding H I shell from the Upper-Scorpius subgroup of the Sco-Cen OB Association. Lupus III is dominated by the effects of two HAe/Be stars, and shows no sign of external influence. Slightly warmer gas around the core of Lupus IV and a low line width suggest heating by the Upper-Centaurus-Lupus subgroup of Sco-Cen, without the effects of an H I shell.

  7. A visual analytics system for optimizing the performance of large-scale networks in supercomputing systems

    Directory of Open Access Journals (Sweden)

    Takanori Fujiwara

    2018-03-01

    Full Text Available The overall efficiency of an extreme-scale supercomputer largely relies on the performance of its network interconnects. Several of the state of the art supercomputers use networks based on the increasingly popular Dragonfly topology. It is crucial to study the behavior and performance of different parallel applications running on Dragonfly networks in order to make optimal system configurations and design choices, such as job scheduling and routing strategies. However, in order to study these temporal network behavior, we would need a tool to analyze and correlate numerous sets of multivariate time-series data collected from the Dragonfly’s multi-level hierarchies. This paper presents such a tool–a visual analytics system–that uses the Dragonfly network to investigate the temporal behavior and optimize the communication performance of a supercomputer. We coupled interactive visualization with time-series analysis methods to help reveal hidden patterns in the network behavior with respect to different parallel applications and system configurations. Our system also provides multiple coordinated views for connecting behaviors observed at different levels of the network hierarchies, which effectively helps visual analysis tasks. We demonstrate the effectiveness of the system with a set of case studies. Our system and findings can not only help improve the communication performance of supercomputing applications, but also the network performance of next-generation supercomputers. Keywords: Supercomputing, Parallel communication network, Dragonfly networks, Time-series data, Performance analysis, Visual analytics

  8. Parallel Optimization of Polynomials for Large-scale Problems in Stability and Control

    Science.gov (United States)

    Kamyar, Reza

    In this thesis, we focus on some of the NP-hard problems in control theory. Thanks to the converse Lyapunov theory, these problems can often be modeled as optimization over polynomials. To avoid the problem of intractability, we establish a trade off between accuracy and complexity. In particular, we develop a sequence of tractable optimization problems --- in the form of Linear Programs (LPs) and/or Semi-Definite Programs (SDPs) --- whose solutions converge to the exact solution of the NP-hard problem. However, the computational and memory complexity of these LPs and SDPs grow exponentially with the progress of the sequence - meaning that improving the accuracy of the solutions requires solving SDPs with tens of thousands of decision variables and constraints. Setting up and solving such problems is a significant challenge. The existing optimization algorithms and software are only designed to use desktop computers or small cluster computers --- machines which do not have sufficient memory for solving such large SDPs. Moreover, the speed-up of these algorithms does not scale beyond dozens of processors. This in fact is the reason we seek parallel algorithms for setting-up and solving large SDPs on large cluster- and/or super-computers. We propose parallel algorithms for stability analysis of two classes of systems: 1) Linear systems with a large number of uncertain parameters; 2) Nonlinear systems defined by polynomial vector fields. First, we develop a distributed parallel algorithm which applies Polya's and/or Handelman's theorems to some variants of parameter-dependent Lyapunov inequalities with parameters defined over the standard simplex. The result is a sequence of SDPs which possess a block-diagonal structure. We then develop a parallel SDP solver which exploits this structure in order to map the computation, memory and communication to a distributed parallel environment. Numerical tests on a supercomputer demonstrate the ability of the algorithm to

  9. Design and Optimization of Fast Switching Valves for Large Scale Digital Hydraulic Motors

    DEFF Research Database (Denmark)

    Roemer, Daniel Beck

    The present thesis is on the design, analysis and optimization of fast switching valves for digital hydraulic motors with high power ratings. The need for such high power motors origins in the potential use of hydrostatic transmissions in wind turbine drive trains, as digital hydraulic machines...... have been shown to improve the overall efficiency and efficient operation range compared to traditional hydraulic machines. Digital hydraulic motors uses electronically controlled independent seat valves connected to the pressure chambers, which must be fast acting and exhibit low pressure losses...... to enable efficient operation. These valves are complex components to design, as multiple design aspects are present in these integrated valve units, with conflicting objectives and interdependencies. A preliminary study on a small scale single-cylinder digital hydraulic pump has initially been conducted...

  10. SWAP-Assembler 2: Optimization of De Novo Genome Assembler at Large Scale

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Jintao; Seo, Sangmin; Balaji, Pavan; Wei, Yanjie; Wang, Bingqiang; Feng, Shengzhong

    2016-08-16

    In this paper, we analyze and optimize the most time-consuming steps of the SWAP-Assembler, a parallel genome assembler, so that it can scale to a large number of cores for huge genomes with the size of sequencing data ranging from terabyes to petabytes. According to the performance analysis results, the most time-consuming steps are input parallelization, k-mer graph construction, and graph simplification (edge merging). For the input parallelization, the input data is divided into virtual fragments with nearly equal size, and the start position and end position of each fragment are automatically separated at the beginning of the reads. In k-mer graph construction, in order to improve the communication efficiency, the message size is kept constant between any two processes by proportionally increasing the number of nucleotides to the number of processes in the input parallelization step for each round. The memory usage is also decreased because only a small part of the input data is processed in each round. With graph simplification, the communication protocol reduces the number of communication loops from four to two loops and decreases the idle communication time. The optimized assembler is denoted as SWAP-Assembler 2 (SWAP2). In our experiments using a 1000 Genomes project dataset of 4 terabytes (the largest dataset ever used for assembling) on the supercomputer Mira, the results show that SWAP2 scales to 131,072 cores with an efficiency of 40%. We also compared our work with both the HipMER assembler and the SWAP-Assembler. On the Yanhuang dataset of 300 gigabytes, SWAP2 shows a 3X speedup and 4X better scalability compared with the HipMer assembler and is 45 times faster than the SWAP-Assembler. The SWAP2 software is available at https://sourceforge.net/projects/swapassembler.

  11. Cost optimization of wind turbines for large-scale offshore wind farms

    International Nuclear Information System (INIS)

    Fuglsang, P.; Thomsen, K.

    1998-02-01

    This report contains a preliminary investigation of site specific design of off-shore wind turbines for a large off-shore wind farm project at Roedsand that is currently being proposed by ELKRAFT/SEAS. The results were found using a design tool for wind turbines that involve numerical optimization and aeroelastic calculations of response. The wind climate was modeled in detail and a cost function was used to estimate costs from manufacture and installation. Cost of energy is higher for off-shore installations. A comparison of an off-shore wind farm site with a typical stand alone on-shore site showed an increase of the annual production of 28% due to the difference in wind climate. Extreme loads and blade fatigue loads were nearly identical, however,fatigue loads on other main components increased significantly. Optimizations were carried out to find the optimum overall off-shore wind turbine design. A wind turbine for the off-shore wind farm should be different compared with a stand-alone on-shore wind turbine. The overall design changed were increased swept area and rated power combined with reduced rotor speed and tower height. Cost was reduced by 12% for the final 5D/14D off-shore wind turbine from 0.306 DKr/kWh to 0.270 DKr/kWh. These figures include capital costs from manufacture and installation but not on-going costs from maintenance. These results make off-shore wind farms more competitive and comparable to the reference on-shore stand-alone wind turbine. A corresponding reduction of cost of energy could not be found for the stand alone on-shore wind turbine. Furthermore the fatigue loads on wind turbines in on-shore wind farms will increase and cost of energy will increase in favor of off-shore wind farms. (au) EFP-95; EU-JOULE-3; 21 tabs., 7 ills., 8 refs

  12. Crystallisation of a Lennard-Jones fluid by large scale molecular dynamics simulation

    International Nuclear Information System (INIS)

    Snook, I.

    1998-01-01

    Full text: The evolution of the structure of a large system of atoms interacting via a Lennard-Jones pair potential was simulated by the use of the Molecular Dynamics computer simulation technique. The system was initially equilibrated in the one phase region of the phase diagram at a temperature above critical then a temperature quench was performed which placed the system in a region were the single fluid phase was unstable. Quenches to below the triple point temperature gave rise to crystallisation The mechanism and final morphology is shown to depend strongly on the starting conditions e.g. the starting density

  13. Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

    Science.gov (United States)

    Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

    2016-07-12

    We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design.

  14. Large scale aggregate microarray analysis reveals three distinct molecular subclasses of human preeclampsia.

    Science.gov (United States)

    Leavey, Katherine; Bainbridge, Shannon A; Cox, Brian J

    2015-01-01

    Preeclampsia (PE) is a life-threatening hypertensive pathology of pregnancy affecting 3-5% of all pregnancies. To date, PE has no cure, early detection markers, or effective treatments short of the removal of what is thought to be the causative organ, the placenta, which may necessitate a preterm delivery. Additionally, numerous small placental microarray studies attempting to identify "PE-specific" genes have yielded inconsistent results. We therefore hypothesize that preeclampsia is a multifactorial disease encompassing several pathology subclasses, and that large cohort placental gene expression analysis will reveal these groups. To address our hypothesis, we utilized known bioinformatic methods to aggregate 7 microarray data sets across multiple platforms in order to generate a large data set of 173 patient samples, including 77 with preeclampsia. Unsupervised clustering of these patient samples revealed three distinct molecular subclasses of PE. This included a "canonical" PE subclass demonstrating elevated expression of known PE markers and genes associated with poor oxygenation and increased secretion, as well as two other subclasses potentially representing a poor maternal response to pregnancy and an immunological presentation of preeclampsia. Our analysis sheds new light on the heterogeneity of PE patients, and offers up additional avenues for future investigation. Hopefully, our subclassification of preeclampsia based on molecular diversity will finally lead to the development of robust diagnostics and patient-based treatments for this disorder.

  15. Large-scale integration of optimal combinations of PV, wind and wave power into the electricity supply

    DEFF Research Database (Denmark)

    Lund, Henrik

    2006-01-01

    This article presents the results of analyses of large-scale integration of wind power, photo voltaic (PV) and wave power into a Danish reference energy system. The possibility of integrating Renewable Energy Sources (RES) into the electricity supply is expressed in terms of the ability to avoid...... ancillary services are needed in order to secure the electricity supply system. The idea is to benefit from the different patterns in the fluctuations of different renewable sources. And the purpose is to identify optimal mixtures from a technical point of view. The optimal mixture seems to be when onshore...... wind power produces approximately 50% of the total electricity production from RES. Meanwhile, the mixture between PV and wave power seems to depend on the total amount of electricity production from RES. When the total RES input is below 20% of demand, PV should cover 40% and wave power only 10%. When...

  16. Challenges in analysing and visualizing large-scale molecular dynamics simulations: domain and defect formation in lung surfactant monolayers

    International Nuclear Information System (INIS)

    Mendez-Villuendas, E; Baoukina, S; Tieleman, D P

    2012-01-01

    Molecular dynamics simulations have rapidly grown in size and complexity, as computers have become more powerful and molecular dynamics software more efficient. Using coarse-grained models like MARTINI system sizes of the order of 50 nm × 50 nm × 50 nm can be simulated on commodity clusters on microsecond time scales. For simulations of biological membranes and monolayers mimicking lung surfactant this enables large-scale transformation and complex mixtures of lipids and proteins. Here we use a simulation of a monolayer with three phospholipid components, cholesterol, lung surfactant proteins, water, and ions on a ten microsecond time scale to illustrate some current challenges in analysis. In the simulation, phase separation occurs followed by formation of a bilayer fold in which lipids and lung surfactant protein form a highly curved structure in the aqueous phase. We use Voronoi analysis to obtain detailed physical properties of the different components and phases, and calculate local mean and Gaussian curvatures of the bilayer fold.

  17. A large-scale molecular dynamics study of the divacancy defect in graphene

    International Nuclear Information System (INIS)

    Leyssale, Jean-Marc; Vignoles, Gerard L.

    2014-01-01

    We report on the dynamical behavior of single divacancy defects in large graphene sheets as studied by extensive classical molecular dynamics (MD) simulations at high temperatures and static calculations. In the first part of the paper, the ability of the used interatomic potential to properly render the stability and dynamics (energy barriers) of such defects is validated against electronic structure calculations from the literature. Then, results from MD simulations are presented. In agreement with recent TEM studies, some mobility is observed through a series of Stone-Wales-like bond rotations involving the 5-8-5, 555-777, and 5555-6-7777 reconstructions. Although these three structures are by far the most probable structures of the DV defect, not less than 18 other full reconstructions, including the experimentally observed 55-66-77 defect, were occasionally observed in the ∼1.5 μs of MD trajectories analyzed in this work. Most of these additional reconstructions have moderate formation energies and can be formed by a bond rotation mechanism from one of the aforementioned structures, with a lower activation energy than the one required to form a Stone-Wales defect in graphene. Therefore their future experimental observation is highly probable. The results presented here also suggest that the barrier to a conventional Stone-Wales transformation (the formation of two pentagon/heptagon pairs from four hexagons) can be significantly reduced in the vicinity of an existing defect, strengthening a recently proposed melting mechanism for graphene based on the aggregation of Stone-Wales defects. From a structural point of view, in addition to pentagons, heptagons, and octagons, these new DV reconstructions can also contain four- and nine-member rings and show a particularly large spatial extent of up to 13 rings (42 atoms) against three (14 atoms) for the original 5-8-5 defect. (authors)

  18. Energy modeling and analysis for optimal grid integration of large-scale variable renewables using hydrogen storage in Japan

    International Nuclear Information System (INIS)

    Komiyama, Ryoichi; Otsuki, Takashi; Fujii, Yasumasa

    2015-01-01

    Although the extensive introduction of VRs (variable renewables) will play an essential role to resolve energy and environmental issues in Japan after the Fukushima nuclear accident, its large-scale integration would pose a technical challenge in the grid management; as one of technical countermeasures, hydrogen storage receives much attention, as well as rechargeable battery, for controlling the intermittency of VR power output. For properly planning renewable energy policies, energy system modeling is important to quantify and qualitatively understand its potential benefits and impacts. This paper analyzes the optimal grid integration of large-scale VRs using hydrogen storage in Japan by developing a high time-resolution optimal power generation mix model. Simulation results suggest that the installation of hydrogen storage is promoted by both its cost reduction and CO 2 regulation policy. In addition, hydrogen storage turns out to be suitable for storing VR energy in a long period of time. Finally, through a sensitivity analysis of rechargeable battery cost, hydrogen storage is economically competitive with rechargeable battery; the cost of both technologies should be more elaborately recognized for formulating effective energy policies to integrate massive VRs into the country's power system in an economical manner. - Highlights: • Authors analyze hydrogen storage coupled with VRs (variable renewables). • Simulation analysis is done by developing an optimal power generation mix model. • Hydrogen storage installation is promoted by its cost decline and CO 2 regulation. • Hydrogen storage is suitable for storing VR energy in a long period of time. • Hydrogen storage is economically competitive with rechargeable battery

  19. Optimization of Large-Scale Culture Conditions for the Production of Cordycepin with Cordyceps militaris by Liquid Static Culture

    Directory of Open Access Journals (Sweden)

    Chao Kang

    2014-01-01

    Full Text Available Cordycepin is one of the most important bioactive compounds produced by species of Cordyceps sensu lato, but it is hard to produce large amounts of this substance in industrial production. In this work, single factor design, Plackett-Burman design, and central composite design were employed to establish the key factors and identify optimal culture conditions which improved cordycepin production. Using these culture conditions, a maximum production of cordycepin was 2008.48 mg/L for 700 mL working volume in the 1000 mL glass jars and total content of cordycepin reached 1405.94 mg/bottle. This method provides an effective way for increasing the cordycepin production at a large scale. The strategies used in this study could have a wide application in other fermentation processes.

  20. Large-scale structure of the Taurus molecular complex. II. Analysis of velocity fluctuations and turbulence. III. Methods for turbulence

    International Nuclear Information System (INIS)

    Kleiner, S.C.; Dickman, R.L.

    1985-01-01

    The velocity autocorrelation function (ACF) of observed spectral line centroid fluctuations is noted to effectively reproduce the actual ACF of turbulent gas motions within an interstellar cloud, thereby furnishing a framework for the study of the large scale velocity structure of the Taurus dark cloud complex traced by the present C-13O J = 1-0 observations of this region. The results obtained are discussed in the context of recent suggestions that widely observed correlations between molecular cloud widths and cloud sizes indicate the presence of a continuum of turbulent motions within the dense interstellar medium. Attention is then given to a method for the quantitative study of these turbulent motions, involving the mapping of a source in an optically thin spectral line and studying the spatial correlation properties of the resulting velocity centroid map. 61 references

  1. A Novel Consensus-Based Particle Swarm Optimization-Assisted Trust-Tech Methodology for Large-Scale Global Optimization.

    Science.gov (United States)

    Zhang, Yong-Feng; Chiang, Hsiao-Dong

    2017-09-01

    A novel three-stage methodology, termed the "consensus-based particle swarm optimization (PSO)-assisted Trust-Tech methodology," to find global optimal solutions for nonlinear optimization problems is presented. It is composed of Trust-Tech methods, consensus-based PSO, and local optimization methods that are integrated to compute a set of high-quality local optimal solutions that can contain the global optimal solution. The proposed methodology compares very favorably with several recently developed PSO algorithms based on a set of small-dimension benchmark optimization problems and 20 large-dimension test functions from the CEC 2010 competition. The analytical basis for the proposed methodology is also provided. Experimental results demonstrate that the proposed methodology can rapidly obtain high-quality optimal solutions that can contain the global optimal solution. The scalability of the proposed methodology is promising.

  2. Breaking Computational Barriers: Real-time Analysis and Optimization with Large-scale Nonlinear Models via Model Reduction

    Energy Technology Data Exchange (ETDEWEB)

    Carlberg, Kevin Thomas [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Quantitative Modeling and Analysis; Drohmann, Martin [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Quantitative Modeling and Analysis; Tuminaro, Raymond S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Computational Mathematics; Boggs, Paul T. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Quantitative Modeling and Analysis; Ray, Jaideep [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Quantitative Modeling and Analysis; van Bloemen Waanders, Bart Gustaaf [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Optimization and Uncertainty Estimation

    2014-10-01

    Model reduction for dynamical systems is a promising approach for reducing the computational cost of large-scale physics-based simulations to enable high-fidelity models to be used in many- query (e.g., Bayesian inference) and near-real-time (e.g., fast-turnaround simulation) contexts. While model reduction works well for specialized problems such as linear time-invariant systems, it is much more difficult to obtain accurate, stable, and efficient reduced-order models (ROMs) for systems with general nonlinearities. This report describes several advances that enable nonlinear reduced-order models (ROMs) to be deployed in a variety of time-critical settings. First, we present an error bound for the Gauss-Newton with Approximated Tensors (GNAT) nonlinear model reduction technique. This bound allows the state-space error for the GNAT method to be quantified when applied with the backward Euler time-integration scheme. Second, we present a methodology for preserving classical Lagrangian structure in nonlinear model reduction. This technique guarantees that important properties--such as energy conservation and symplectic time-evolution maps--are preserved when performing model reduction for models described by a Lagrangian formalism (e.g., molecular dynamics, structural dynamics). Third, we present a novel technique for decreasing the temporal complexity --defined as the number of Newton-like iterations performed over the course of the simulation--by exploiting time-domain data. Fourth, we describe a novel method for refining projection-based reduced-order models a posteriori using a goal-oriented framework similar to mesh-adaptive h -refinement in finite elements. The technique allows the ROM to generate arbitrarily accurate solutions, thereby providing the ROM with a 'failsafe' mechanism in the event of insufficient training data. Finally, we present the reduced-order model error surrogate (ROMES) method for statistically quantifying reduced- order

  3. Large-scale Patterns of 14C Age of Bulk Organic Carbon and Various Molecular Components in Grassland Soils

    Science.gov (United States)

    Jia, J.; Liu, Z.; Cao, Z.; Chen, L.; He, J. S.; Haghipour, N.; Wacker, L.; Eglinton, T. I.; Feng, X.

    2017-12-01

    Unraveling the fate of organic carbon (OC) in soils is essential to understanding the impact of global changes on the global carbon cycle. Previous studies have shown that while various soil OC components have different decomposability, chemically labile OC can have old 14C ages. However, few studies have compared the 14C age of various soil OC components on a large scale, which may provide important information on the link between the age or turnover of soil OC components to their sources, molecular structures as well as environmental variables. In this project, a suite of soil profiles were sampled along a large-scale transect of temperate and alpine grasslands across the Tibetan and Mongolian Plateaus in China with contrasting climatic, vegetation and soil properties. Bulk OC and source-specific compounds (including fatty acids (FAs), diacids (DAs) and lignin phenols) were radiocarbon-dated to investigate the age and turnover dynamics of different OC pools and the mechanisms controlling their stability. Our results show that lignin phenols displayed a large 14C variability. Short-chain (C16, 18) FAs sourced from vascular plants as well as microorganisms were younger than plant-derived long-chain FAs and DAs, indicating that short-chain FAs were easier to be decomposed or newly synthesized. In the temperate grasslands, long-chain DAs were younger than FAs, while the opposite trend was observed in the alpine grasslands. Preliminary correlation analysis suggests that the age of short-chain FAs were mainly influenced by clay contents and climate, while reactive minerals, clay or silt particles were important factors in the stabilization of long-chain FAs, DAs and lignin phenols. Overall, our study provided a unique 14 C dataset of soil OC components in grasslands, which will provide important constraints on soil carbon turnover in future investigations.

  4. Optimization methodology for large scale fin geometry on the steel containment of a Public Acceptable Simple SMR (PASS)

    International Nuclear Information System (INIS)

    Kim, Do Yun; NO, Hee Cheon; Kim, Ho Sik

    2015-01-01

    Highlights: • Optimization methodology for fin geometry on the steel containment is established. • Optimum spacing is 7 cm in PASS containment. • Optimum thickness is 0.9–1.8 cm when a fin height is 10–25 cm. • Optimal fin geometry is determined in given fin height by overall effectiveness correlation. • 13% of material volume and 43% of containment volume are reduced by using fins. - Abstracts: Heat removal capability through a steel containment is important in accident situations to preserve the integrity of a nuclear power plant which adopts a steel containment concept. A heat transfer rate will be enhanced by using fins on the external surface of the steel containment. The fins, however, cause to increase flow resistance and to deteriorate the heat transfer rate at the same time. Therefore, this study investigates an optimization methodology of large scale fin geometry for a vertical base where a natural convection flow regime is turbulent. Rectangular plate fins adopted in the steel containment of a Public Acceptable Simple SMR (PASS) is used as a reference. The heat transfer rate through the fins is obtained from CFD tools. In order to optimize fin geometry, an overall effectiveness concept is introduced as a fin performance parameter. The optimizing procedure is starting from finding optimum spacing. Then, optimum thickness is calculated and finally optimal fin geometry is suggested. Scale analysis is conducted to show the existence of an optimum spacing which turns out to be 7 cm in case of PASS. Optimum thickness is obtained by the overall effectiveness correlation, which is derived from a total heat transfer coefficient correlation. The total heat transfer coefficient correlation of a vertical fin array is suggested considering both of natural convection and radiation. However, the optimum thickness is changed as a fin height varies. Therefore, optimal fin geometry is obtained as a function of a fin height. With the assumption that the heat

  5. Optimized Placement of Wind Turbines in Large-Scale Offshore Wind Farm using Particle Swarm Optimization Algorithm

    DEFF Research Database (Denmark)

    Hou, Peng; Hu, Weihao; Soltani, Mohsen

    2015-01-01

    With the increasing size of wind farm, the impact of the wake effect on wind farm energy yields become more and more evident. The arrangement of the wind turbines’ (WT) locations will influence the capital investment and contribute to the wake losses which incur the reduction of energy production....... As a consequence, the optimized placement of the wind turbines may be done by considering the wake effect as well as the components cost within the wind farm. In this paper, a mathematical model which includes the variation of both wind direction and wake deficit is proposed. The problem is formulated by using...... Levelized Production Cost (LPC) as the objective function. The optimization procedure is performed by Particle Swarm Optimization (PSO) algorithm with the purpose of maximizing the energy yields while minimizing the total investment. The simulation results indicate that the proposed method is effective...

  6. Analysis of the electricity demand of Greece for optimal planning of a large-scale hybrid renewable energy system

    Science.gov (United States)

    Tyralis, Hristos; Karakatsanis, Georgios; Tzouka, Katerina; Mamassis, Nikos

    2015-04-01

    The Greek electricity system is examined for the period 2002-2014. The demand load data are analysed at various time scales (hourly, daily, seasonal and annual) and they are related to the mean daily temperature and the gross domestic product (GDP) of Greece for the same time period. The prediction of energy demand, a product of the Greek Independent Power Transmission Operator, is also compared with the demand load. Interesting results about the change of the electricity demand scheme after the year 2010 are derived. This change is related to the decrease of the GDP, during the period 2010-2014. The results of the analysis will be used in the development of an energy forecasting system which will be a part of a framework for optimal planning of a large-scale hybrid renewable energy system in which hydropower plays the dominant role. Acknowledgement: This research was funded by the Greek General Secretariat for Research and Technology through the research project Combined REnewable Systems for Sustainable ENergy DevelOpment (CRESSENDO; grant number 5145)

  7. Non-smooth optimization methods for large-scale problems: applications to mid-term power generation planning

    International Nuclear Information System (INIS)

    Emiel, G.

    2008-01-01

    This manuscript deals with large-scale non-smooth optimization that may typically arise when performing Lagrangian relaxation of difficult problems. This technique is commonly used to tackle mixed-integer linear programming - or large-scale convex problems. For example, a classical approach when dealing with power generation planning problems in a stochastic environment is to perform a Lagrangian relaxation of the coupling constraints of demand. In this approach, a master problem coordinates local subproblems, specific to each generation unit. The master problem deals with a separable non-smooth dual function which can be maximized with, for example, bundle algorithms. In chapter 2, we introduce basic tools of non-smooth analysis and some recent results regarding incremental or inexact instances of non-smooth algorithms. However, in some situations, the dual problem may still be very hard to solve. For instance, when the number of dualized constraints is very large (exponential in the dimension of the primal problem), explicit dualization may no longer be possible or the update of dual variables may fail. In order to reduce the dual dimension, different heuristics were proposed. They involve a separation procedure to dynamically select a restricted set of constraints to be dualized along the iterations. This relax-and-cut type approach has shown its numerical efficiency in many combinatorial problems. In chapter 3, we show Primal-dual convergence of such strategy when using an adapted sub-gradient method for the dual step and under minimal assumptions on the separation procedure. Another limit of Lagrangian relaxation may appear when the dual function is separable in highly numerous or complex sub-functions. In such situation, the computational burden of solving all local subproblems may be preponderant in the whole iterative process. A natural strategy would be here to take full advantage of the dual separable structure, performing a dual iteration after having

  8. Optimizing Implementation of Obesity Prevention Programs: A Qualitative Investigation Within a Large-Scale Randomized Controlled Trial.

    Science.gov (United States)

    Kozica, Samantha L; Teede, Helena J; Harrison, Cheryce L; Klein, Ruth; Lombard, Catherine B

    2016-01-01

    The prevalence of obesity in rural and remote areas is elevated in comparison to urban populations, highlighting the need for interventions targeting obesity prevention in these settings. Implementing evidence-based obesity prevention programs is challenging. This study aimed to investigate factors influencing the implementation of obesity prevention programs, including adoption, program delivery, community uptake, and continuation, specifically within rural settings. Nested within a large-scale randomized controlled trial, a qualitative exploratory approach was adopted, with purposive sampling techniques utilized, to recruit stakeholders from 41 small rural towns in Australia. In-depth semistructured interviews were conducted with clinical health professionals, health service managers, and local government employees. Open coding was completed independently by 2 investigators and thematic analysis undertaken. In-depth interviews revealed that obesity prevention programs were valued by the rural workforce. Program implementation is influenced by interrelated factors across: (1) contextual factors and (2) organizational capacity. Key recommendations to manage the challenges of implementing evidence-based programs focused on reducing program delivery costs, aided by the provision of a suite of implementation and evaluation resources. Informing the scale-up of future prevention programs, stakeholders highlighted the need to build local rural capacity through developing supportive university partnerships, generating local program ownership and promoting active feedback to all program partners. We demonstrate that the rural workforce places a high value on obesity prevention programs. Our results inform the future scale-up of obesity prevention programs, providing an improved understanding of strategies to optimize implementation of evidence-based prevention programs. © 2015 National Rural Health Association.

  9. Large-scale production of Fischer-Tropsch diesel from biomass. Optimal gasification and gas cleaning systems

    International Nuclear Information System (INIS)

    Boerrigter, H.; Van der Drift, A.

    2004-12-01

    The paper is presented in the form of copies of overhead sheets. The contents concern definitions, an overview of Integrated biomass gasification and Fischer Tropsch (FT) systems (state-of-the-art, gas cleaning and biosyngas production, experimental demonstration and conclusions), some aspects of large-scale systems (motivation, biomass import) and an outlook

  10. Optimization of a Fluorescence-Based Assay for Large-Scale Drug Screening against Babesia and Theileria Parasites

    OpenAIRE

    Rizk, Mohamed Abdo; El-Sayed, Shimaa Abd El-Salam; Terkawi, Mohamed Alaa; Youssef, Mohamed Ahmed; El Said, El Said El Shirbini; Elsayed, Gehad; El-Khodery, Sabry; El-Ashker, Maged; Elsify, Ahmed; Omar, Mosaab; Salama, Akram; Yokoyama, Naoaki; Igarashi, Ikuo

    2015-01-01

    A rapid and accurate assay for evaluating antibabesial drugs on a large scale is required for the discovery of novel chemotherapeutic agents against Babesia parasites. In the current study, we evaluated the usefulness of a fluorescence-based assay for determining the efficacies of antibabesial compounds against bovine and equine hemoparasites in in vitro cultures. Three different hematocrits (HCTs; 2.5%, 5%, and 10%) were used without daily replacement of the medium. The results of a high-thr...

  11. Optimizing the design of large-scale ground-coupled heat pump systems using groundwater and heat transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fujii, H.; Itoi, R.; Fujii, J. [Kyushu University, Fukuoka (Japan). Faculty of Engineering, Department of Earth Resources Engineering; Uchida, Y. [Geological Survey of Japan, Tsukuba (Japan)

    2005-06-01

    In order to predict the long-term performance of large-scale ground-coupled heat pump (GCHP) systems, it is necessary to take into consideration well-to-well interference, especially in the presence of groundwater flow. A mass and heat transport model was developed to simulate the behavior of this type of system in the Akita Plain, northern Japan. The model was used to investigate different operational schemes and to maximize the heat extraction rate from the GCHP system. (author)

  12. Optimization of a Fluorescence-Based Assay for Large-Scale Drug Screening against Babesia and Theileria Parasites.

    Science.gov (United States)

    Rizk, Mohamed Abdo; El-Sayed, Shimaa Abd El-Salam; Terkawi, Mohamed Alaa; Youssef, Mohamed Ahmed; El Said, El Said El Shirbini; Elsayed, Gehad; El-Khodery, Sabry; El-Ashker, Maged; Elsify, Ahmed; Omar, Mosaab; Salama, Akram; Yokoyama, Naoaki; Igarashi, Ikuo

    2015-01-01

    A rapid and accurate assay for evaluating antibabesial drugs on a large scale is required for the discovery of novel chemotherapeutic agents against Babesia parasites. In the current study, we evaluated the usefulness of a fluorescence-based assay for determining the efficacies of antibabesial compounds against bovine and equine hemoparasites in in vitro cultures. Three different hematocrits (HCTs; 2.5%, 5%, and 10%) were used without daily replacement of the medium. The results of a high-throughput screening assay revealed that the best HCT was 2.5% for bovine Babesia parasites and 5% for equine Babesia and Theileria parasites. The IC50 values of diminazene aceturate obtained by fluorescence and microscopy did not differ significantly. Likewise, the IC50 values of luteolin, pyronaridine tetraphosphate, nimbolide, gedunin, and enoxacin did not differ between the two methods. In conclusion, our fluorescence-based assay uses low HCT and does not require daily replacement of culture medium, making it highly suitable for in vitro large-scale drug screening against Babesia and Theileria parasites that infect cattle and horses.

  13. Optimization of a Fluorescence-Based Assay for Large-Scale Drug Screening against Babesia and Theileria Parasites.

    Directory of Open Access Journals (Sweden)

    Mohamed Abdo Rizk

    Full Text Available A rapid and accurate assay for evaluating antibabesial drugs on a large scale is required for the discovery of novel chemotherapeutic agents against Babesia parasites. In the current study, we evaluated the usefulness of a fluorescence-based assay for determining the efficacies of antibabesial compounds against bovine and equine hemoparasites in in vitro cultures. Three different hematocrits (HCTs; 2.5%, 5%, and 10% were used without daily replacement of the medium. The results of a high-throughput screening assay revealed that the best HCT was 2.5% for bovine Babesia parasites and 5% for equine Babesia and Theileria parasites. The IC50 values of diminazene aceturate obtained by fluorescence and microscopy did not differ significantly. Likewise, the IC50 values of luteolin, pyronaridine tetraphosphate, nimbolide, gedunin, and enoxacin did not differ between the two methods. In conclusion, our fluorescence-based assay uses low HCT and does not require daily replacement of culture medium, making it highly suitable for in vitro large-scale drug screening against Babesia and Theileria parasites that infect cattle and horses.

  14. Large scale electrolysers

    International Nuclear Information System (INIS)

    B Bello; M Junker

    2006-01-01

    Hydrogen production by water electrolysis represents nearly 4 % of the world hydrogen production. Future development of hydrogen vehicles will require large quantities of hydrogen. Installation of large scale hydrogen production plants will be needed. In this context, development of low cost large scale electrolysers that could use 'clean power' seems necessary. ALPHEA HYDROGEN, an European network and center of expertise on hydrogen and fuel cells, has performed for its members a study in 2005 to evaluate the potential of large scale electrolysers to produce hydrogen in the future. The different electrolysis technologies were compared. Then, a state of art of the electrolysis modules currently available was made. A review of the large scale electrolysis plants that have been installed in the world was also realized. The main projects related to large scale electrolysis were also listed. Economy of large scale electrolysers has been discussed. The influence of energy prices on the hydrogen production cost by large scale electrolysis was evaluated. (authors)

  15. A large-scale, higher-level, molecular phylogenetic study of the insect order Lepidoptera (moths and butterflies.

    Directory of Open Access Journals (Sweden)

    Jerome C Regier

    Full Text Available Higher-level relationships within the Lepidoptera, and particularly within the species-rich subclade Ditrysia, are generally not well understood, although recent studies have yielded progress. We present the most comprehensive molecular analysis of lepidopteran phylogeny to date, focusing on relationships among superfamilies.483 taxa spanning 115 of 124 families were sampled for 19 protein-coding nuclear genes, from which maximum likelihood tree estimates and bootstrap percentages were obtained using GARLI. Assessment of heuristic search effectiveness showed that better trees and higher bootstrap percentages probably remain to be discovered even after 1000 or more search replicates, but further search proved impractical even with grid computing. Other analyses explored the effects of sampling nonsynonymous change only versus partitioned and unpartitioned total nucleotide change; deletion of rogue taxa; and compositional heterogeneity. Relationships among the non-ditrysian lineages previously inferred from morphology were largely confirmed, plus some new ones, with strong support. Robust support was also found for divergences among non-apoditrysian lineages of Ditrysia, but only rarely so within Apoditrysia. Paraphyly for Tineoidea is strongly supported by analysis of nonsynonymous-only signal; conflicting, strong support for tineoid monophyly when synonymous signal was added back is shown to result from compositional heterogeneity.Support for among-superfamily relationships outside the Apoditrysia is now generally strong. Comparable support is mostly lacking within Apoditrysia, but dramatically increased bootstrap percentages for some nodes after rogue taxon removal, and concordance with other evidence, strongly suggest that our picture of apoditrysian phylogeny is approximately correct. This study highlights the challenge of finding optimal topologies when analyzing hundreds of taxa. It also shows that some nodes get strong support only when

  16. Optimizing in vitro large scale production of giant reed (Arundo donax L.) by liquid medium culture

    International Nuclear Information System (INIS)

    Cavallaro, Valeria; Patanè, Cristina; Cosentino, Salvatore L.; Di Silvestro, Isabella; Copani, Venera

    2014-01-01

    Tissue culture methods offer the potential for large-scale propagation of giant reed (Arundo donax L.), a promising crop for energy biomass. In previous trials, giant reed resulted particularly suitable to in vitro culture. In this paper, with the final goal of enhancing the efficiency of in vitro production process and reducing costs, the influence of four different culture media (agar or gellan-gum solidified medium, liquid medium into a temporary immersion system-RITA ® or in a stationary state) on in vitro shoot proliferation of giant reed was evaluated. Giant reed exhibited a particular sensitivity to gelling agents during the phase of secondary shoot formation. Gellan gum, as compared to agar, improved the efficiency of in vitro culture giving more shoots with higher mean fresh and dry weight. Moreover, the cultivation of this species into a liquid medium under temporary immersion conditions or in a stationary state, was comparatively as effective as and cheaper than that into a gellan gum medium. Increasing 6-benzylaminopurine (BA) up to 4 mg l −1 also resulted in a further enhancement of secondary shoot proliferation. The good adaptability of this species to liquid medium and the high multiplication rates observed indicate the possibility to obtain from a single node at least 1200 plantlets every six multiplication cycles (about 6 months), a number 100 fold higher than that obtained yearly per plant by the conventional methods of vegetative multiplication. In open field, micropropagated plantlets guaranteed a higher number of survived plants, secondary stems and above ground biomass as compared to rhizome ones. - Highlights: • In vitro propagation offers the potential for large-scale propagation of giant reed. • The success of an in vitro protocol depends on the rate and mode of shoot proliferation. • Substituting liquid media to solid ones may decrease propagation costs in Arundo donax. • Giant reed showed good proliferation rates in

  17. Optimal charging scheduling for large-scale EV (electric vehicle) deployment based on the interaction of the smart-grid and intelligent-transport systems

    International Nuclear Information System (INIS)

    Luo, Yugong; Zhu, Tao; Wan, Shuang; Zhang, Shuwei; Li, Keqiang

    2016-01-01

    The widespread use of electric vehicles (EVs) is becoming an imminent trend. Research has been done on the scheduling of EVs from the perspective of the charging characteristic, improvement in the safety and economy of the power grid, or the traffic jams in the transport system caused by a large number of EVs driven to charging stations. There is a lack of systematic studies considering EVs, the power grid, and the transport system all together. In this paper, a novel optimal charging scheduling strategy for different types of EVs is proposed based on not only transport system information, such as road length, vehicle velocity and waiting time, but also grid system information, such as load deviation and node voltage. In addition, a charging scheduling simulation platform suitable for large-scale EV deployment is developed based on actual charging scenarios. The simulation results show that the improvements in both the transport system efficiency and the grid system operation can be obtained by using the optimal strategy, such as the node voltage drop is decreased, the power loss is reduced, and the load curve is optimized. - Highlights: • A novel optimal charging scheduling strategy is proposed for different electric vehicles (EVs). • A simulation platform suitable for large-scale EV deployment is established. • The traffic congestion near the charging and battery-switch stations is relieved. • The safety and economy problems of the distribution network are solved. • The peak-to-valley load of the distribution system is reduced.

  18. Large scale genotype comparison of human papillomavirus E2-host interaction networks provides new insights for e2 molecular functions.

    Directory of Open Access Journals (Sweden)

    Mandy Muller

    Full Text Available Human Papillomaviruses (HPV cause widespread infections in humans, resulting in latent infections or diseases ranging from benign hyperplasia to cancers. HPV-induced pathologies result from complex interplays between viral proteins and the host proteome. Given the major public health concern due to HPV-associated cancers, most studies have focused on the early proteins expressed by HPV genotypes with high oncogenic potential (designated high-risk HPV or HR-HPV. To advance the global understanding of HPV pathogenesis, we mapped the virus/host interaction networks of the E2 regulatory protein from 12 genotypes representative of the range of HPV pathogenicity. Large-scale identification of E2-interaction partners was performed by yeast two-hybrid screenings of a HaCaT cDNA library. Based on a high-confidence scoring scheme, a subset of these partners was then validated for pair-wise interaction in mammalian cells with the whole range of the 12 E2 proteins, allowing a comparative interaction analysis. Hierarchical clustering of E2-host interaction profiles mostly recapitulated HPV phylogeny and provides clues to the involvement of E2 in HPV infection. A set of cellular proteins could thus be identified discriminating, among the mucosal HPV, E2 proteins of HR-HPV 16 or 18 from the non-oncogenic genital HPV. The study of the interaction networks revealed a preferential hijacking of highly connected cellular proteins and the targeting of several functional families. These include transcription regulation, regulation of apoptosis, RNA processing, ubiquitination and intracellular trafficking. The present work provides an overview of E2 biological functions across multiple HPV genotypes.

  19. Large scale genotype comparison of human papillomavirus E2-host interaction networks provides new insights for e2 molecular functions.

    Science.gov (United States)

    Muller, Mandy; Jacob, Yves; Jones, Louis; Weiss, Amélie; Brino, Laurent; Chantier, Thibault; Lotteau, Vincent; Favre, Michel; Demeret, Caroline

    2012-01-01

    Human Papillomaviruses (HPV) cause widespread infections in humans, resulting in latent infections or diseases ranging from benign hyperplasia to cancers. HPV-induced pathologies result from complex interplays between viral proteins and the host proteome. Given the major public health concern due to HPV-associated cancers, most studies have focused on the early proteins expressed by HPV genotypes with high oncogenic potential (designated high-risk HPV or HR-HPV). To advance the global understanding of HPV pathogenesis, we mapped the virus/host interaction networks of the E2 regulatory protein from 12 genotypes representative of the range of HPV pathogenicity. Large-scale identification of E2-interaction partners was performed by yeast two-hybrid screenings of a HaCaT cDNA library. Based on a high-confidence scoring scheme, a subset of these partners was then validated for pair-wise interaction in mammalian cells with the whole range of the 12 E2 proteins, allowing a comparative interaction analysis. Hierarchical clustering of E2-host interaction profiles mostly recapitulated HPV phylogeny and provides clues to the involvement of E2 in HPV infection. A set of cellular proteins could thus be identified discriminating, among the mucosal HPV, E2 proteins of HR-HPV 16 or 18 from the non-oncogenic genital HPV. The study of the interaction networks revealed a preferential hijacking of highly connected cellular proteins and the targeting of several functional families. These include transcription regulation, regulation of apoptosis, RNA processing, ubiquitination and intracellular trafficking. The present work provides an overview of E2 biological functions across multiple HPV genotypes.

  20. Mathematical modelling and optimization of a large-scale combined cooling, heat, and power system that incorporates unit changeover and time-of-use electricity price

    International Nuclear Information System (INIS)

    Zhu, Qiannan; Luo, Xianglong; Zhang, Bingjian; Chen, Ying

    2017-01-01

    Highlights: • We propose a novel superstructure for the design and optimization of LSCCHP. • A multi-objective multi-period MINLP model is formulated. • The unit start-up cost and time-of-use electricity prices are involved. • Unit size discretization strategy is proposed to linearize the original MINLP model. • A case study is elaborated to demonstrate the effectiveness of the proposed method. - Abstract: Building energy systems, particularly large public ones, are major energy consumers and pollutant emission contributors. In this study, a superstructure of large-scale combined cooling, heat, and power system is constructed. The off-design unit, economic cost, and CO_2 emission models are also formulated. Moreover, a multi-objective mixed integer nonlinear programming model is formulated for the simultaneous system synthesis, technology selection, unit sizing, and operation optimization of large-scale combined cooling, heat, and power system. Time-of-use electricity price and unit changeover cost are incorporated into the problem model. The economic objective is to minimize the total annual cost, which comprises the operation and investment costs of large-scale combined cooling, heat, and power system. The environmental objective is to minimize the annual global CO_2 emission of large-scale combined cooling, heat, and power system. The augmented ε–constraint method is applied to achieve the Pareto frontier of the design configuration, thereby reflecting the set of solutions that represent optimal trade-offs between the economic and environmental objectives. Sensitivity analysis is conducted to reflect the impact of natural gas price on the combined cooling, heat, and power system. The synthesis and design of combined cooling, heat, and power system for an airport in China is studied to test the proposed synthesis and design methodology. The Pareto curve of multi-objective optimization shows that the total annual cost varies from 102.53 to 94.59 M

  1. A Novel Spatial-Temporal Voronoi Diagram-Based Heuristic Approach for Large-Scale Vehicle Routing Optimization with Time Constraints

    Directory of Open Access Journals (Sweden)

    Wei Tu

    2015-10-01

    Full Text Available Vehicle routing optimization (VRO designs the best routes to reduce travel cost, energy consumption, and carbon emission. Due to non-deterministic polynomial-time hard (NP-hard complexity, many VROs involved in real-world applications require too much computing effort. Shortening computing time for VRO is a great challenge for state-of-the-art spatial optimization algorithms. From a spatial-temporal perspective, this paper presents a spatial-temporal Voronoi diagram-based heuristic approach for large-scale vehicle routing problems with time windows (VRPTW. Considering time constraints, a spatial-temporal Voronoi distance is derived from the spatial-temporal Voronoi diagram to find near neighbors in the space-time searching context. A Voronoi distance decay strategy that integrates a time warp operation is proposed to accelerate local search procedures. A spatial-temporal feature-guided search is developed to improve unpromising micro route structures. Experiments on VRPTW benchmarks and real-world instances are conducted to verify performance. The results demonstrate that the proposed approach is competitive with state-of-the-art heuristics and achieves high-quality solutions for large-scale instances of VRPTWs in a short time. This novel approach will contribute to spatial decision support community by developing an effective vehicle routing optimization method for large transportation applications in both public and private sectors.

  2. High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter

    Directory of Open Access Journals (Sweden)

    Daniel Petras

    2017-12-01

    Full Text Available Dissolved organic matter (DOM is arguably one of the most complex exometabolomes on earth, and is comprised of thousands of compounds, that together contribute more than 600 × 1015 g carbon. This reservoir is primarily the product of interactions between the upper ocean's microbial food web, yet abiotic processes that occur over millennia have also modified many of its molecules. The compounds within this reservoir play important roles in determining the rate and extent of element exchange between inorganic reservoirs and the marine biosphere, while also mediating microbe-microbe interactions. As such, there has been a widespread effort to characterize DOM using high-resolution analytical methods including nuclear magnetic resonance spectroscopy (NMR and mass spectrometry (MS. To date, molecular information in DOM has been primarily obtained through calculated molecular formulas from exact mass. This approach has the advantage of being non-targeted, accessing the inherent complexity of DOM. Molecular structures are however still elusive and the most commonly used instruments are costly. More recently, tandem mass spectrometry has been employed to more precisely identify DOM components through comparison to library mass spectra. Here we describe a data acquisition and analysis workflow that expands the repertoire of high-resolution analytical approaches available to access the complexity of DOM molecules that are amenable to electrospray ionization (ESI MS. We couple liquid chromatographic separation with tandem MS (LC-MS/MS and a data analysis pipeline, that integrates peak extraction from extracted ion chromatograms (XIC, molecular formula calculation and molecular networking. This provides more precise structural characterization. Although only around 1% of detectable DOM compounds can be annotated through publicly available spectral libraries, community-wide participation in populating and annotating DOM datasets could rapidly increase the

  3. Optimization of the plasma parameters for the high current and uniform large-scale pulse arc ion source of the VEST-NBI system

    International Nuclear Information System (INIS)

    Jung, Bongki; Park, Min; Heo, Sung Ryul; Kim, Tae-Seong; Jeong, Seung Ho; Chang, Doo-Hee; Lee, Kwang Won; In, Sang-Ryul

    2016-01-01

    Highlights: • High power magnetic bucket-type arc plasma source for the VEST NBI system is developed with modifications based on the prototype plasma source for KSTAR. • Plasma parameters in pulse duration are measured to characterize the plasma source. • High plasma density and good uniformity is achieved at the low operating pressure below 1 Pa. • Required ion beam current density is confirmed by analysis of plasma parameters and results of a particle balance model. - Abstract: A large-scale hydrogen arc plasma source was developed at the Korea Atomic Energy Research Institute for a high power pulsed NBI system of VEST which is a compact spherical tokamak at Seoul national university. One of the research target of VEST is to study innovative tokamak operating scenarios. For this purpose, high current density and uniform large-scale pulse plasma source is required to satisfy the target ion beam power efficiently. Therefore, optimizing the plasma parameters of the ion source such as the electron density, temperature, and plasma uniformity is conducted by changing the operating conditions of the plasma source. Furthermore, ion species of the hydrogen plasma source are analyzed using a particle balance model to increase the monatomic fraction which is another essential parameter for increasing the ion beam current density. Conclusively, efficient operating conditions are presented from the results of the optimized plasma parameters and the extractable ion beam current is calculated.

  4. A resource of large-scale molecular markers for monitoring Agropyron cristatum chromatin introgression in wheat background based on transcriptome sequences.

    Science.gov (United States)

    Zhang, Jinpeng; Liu, Weihua; Lu, Yuqing; Liu, Qunxing; Yang, Xinming; Li, Xiuquan; Li, Lihui

    2017-09-20

    Agropyron cristatum is a wild grass of the tribe Triticeae and serves as a gene donor for wheat improvement. However, very few markers can be used to monitor A. cristatum chromatin introgressions in wheat. Here, we reported a resource of large-scale molecular markers for tracking alien introgressions in wheat based on transcriptome sequences. By aligning A. cristatum unigenes with the Chinese Spring reference genome sequences, we designed 9602 A. cristatum expressed sequence tag-sequence-tagged site (EST-STS) markers for PCR amplification and experimental screening. As a result, 6063 polymorphic EST-STS markers were specific for the A. cristatum P genome in the single-receipt wheat background. A total of 4956 randomly selected polymorphic EST-STS markers were further tested in eight wheat variety backgrounds, and 3070 markers displaying stable and polymorphic amplification were validated. These markers covered more than 98% of the A. cristatum genome, and the marker distribution density was approximately 1.28 cM. An application case of all EST-STS markers was validated on the A. cristatum 6 P chromosome. These markers were successfully applied in the tracking of alien A. cristatum chromatin. Altogether, this study provided a universal method of large-scale molecular marker development to monitor wild relative chromatin in wheat.

  5. Laminar and dorsoventral molecular organization of the medial entorhinal cortex revealed by large-scale anatomical analysis of gene expression.

    Directory of Open Access Journals (Sweden)

    Helen L Ramsden

    2015-01-01

    Full Text Available Neural circuits in the medial entorhinal cortex (MEC encode an animal's position and orientation in space. Within the MEC spatial representations, including grid and directional firing fields, have a laminar and dorsoventral organization that corresponds to a similar topography of neuronal connectivity and cellular properties. Yet, in part due to the challenges of integrating anatomical data at the resolution of cortical layers and borders, we know little about the molecular components underlying this organization. To address this we develop a new computational pipeline for high-throughput analysis and comparison of in situ hybridization (ISH images at laminar resolution. We apply this pipeline to ISH data for over 16,000 genes in the Allen Brain Atlas and validate our analysis with RNA sequencing of MEC tissue from adult mice. We find that differential gene expression delineates the borders of the MEC with neighboring brain structures and reveals its laminar and dorsoventral organization. We propose a new molecular basis for distinguishing the deep layers of the MEC and show that their similarity to corresponding layers of neocortex is greater than that of superficial layers. Our analysis identifies ion channel-, cell adhesion- and synapse-related genes as candidates for functional differentiation of MEC layers and for encoding of spatial information at different scales along the dorsoventral axis of the MEC. We also reveal laminar organization of genes related to disease pathology and suggest that a high metabolic demand predisposes layer II to neurodegenerative pathology. In principle, our computational pipeline can be applied to high-throughput analysis of many forms of neuroanatomical data. Our results support the hypothesis that differences in gene expression contribute to functional specialization of superficial layers of the MEC and dorsoventral organization of the scale of spatial representations.

  6. Data and performance profiles applying an adaptive truncation criterion, within linesearch-based truncated Newton methods, in large scale nonconvex optimization

    Directory of Open Access Journals (Sweden)

    Andrea Caliciotti

    2018-04-01

    Full Text Available In this paper, we report data and experiments related to the research article entitled “An adaptive truncation criterion, for linesearch-based truncated Newton methods in large scale nonconvex optimization” by Caliciotti et al. [1]. In particular, in Caliciotti et al. [1], large scale unconstrained optimization problems are considered by applying linesearch-based truncated Newton methods. In this framework, a key point is the reduction of the number of inner iterations needed, at each outer iteration, to approximately solving the Newton equation. A novel adaptive truncation criterion is introduced in Caliciotti et al. [1] to this aim. Here, we report the details concerning numerical experiences over a commonly used test set, namely CUTEst (Gould et al., 2015 [2]. Moreover, comparisons are reported in terms of performance profiles (Dolan and Moré, 2002 [3], adopting different parameters settings. Finally, our linesearch-based scheme is compared with a renowned trust region method, namely TRON (Lin and Moré, 1999 [4].

  7. Large scale reflood test

    International Nuclear Information System (INIS)

    Hirano, Kemmei; Murao, Yoshio

    1980-01-01

    The large-scale reflood test with a view to ensuring the safety of light water reactors was started in fiscal 1976 based on the special account act for power source development promotion measures by the entrustment from the Science and Technology Agency. Thereafter, to establish the safety of PWRs in loss-of-coolant accidents by joint international efforts, the Japan-West Germany-U.S. research cooperation program was started in April, 1980. Thereupon, the large-scale reflood test is now included in this program. It consists of two tests using a cylindrical core testing apparatus for examining the overall system effect and a plate core testing apparatus for testing individual effects. Each apparatus is composed of the mock-ups of pressure vessel, primary loop, containment vessel and ECCS. The testing method, the test results and the research cooperation program are described. (J.P.N.)

  8. Decentralized Large-Scale Power Balancing

    DEFF Research Database (Denmark)

    Halvgaard, Rasmus; Jørgensen, John Bagterp; Poulsen, Niels Kjølstad

    2013-01-01

    problem is formulated as a centralized large-scale optimization problem but is then decomposed into smaller subproblems that are solved locally by each unit connected to an aggregator. For large-scale systems the method is faster than solving the full problem and can be distributed to include an arbitrary...

  9. RGCA: A Reliable GPU Cluster Architecture for Large-Scale Internet of Things Computing Based on Effective Performance-Energy Optimization.

    Science.gov (United States)

    Fang, Yuling; Chen, Qingkui; Xiong, Neal N; Zhao, Deyu; Wang, Jingjuan

    2017-08-04

    This paper aims to develop a low-cost, high-performance and high-reliability computing system to process large-scale data using common data mining algorithms in the Internet of Things (IoT) computing environment. Considering the characteristics of IoT data processing, similar to mainstream high performance computing, we use a GPU (Graphics Processing Unit) cluster to achieve better IoT services. Firstly, we present an energy consumption calculation method (ECCM) based on WSNs. Then, using the CUDA (Compute Unified Device Architecture) Programming model, we propose a Two-level Parallel Optimization Model (TLPOM) which exploits reasonable resource planning and common compiler optimization techniques to obtain the best blocks and threads configuration considering the resource constraints of each node. The key to this part is dynamic coupling Thread-Level Parallelism (TLP) and Instruction-Level Parallelism (ILP) to improve the performance of the algorithms without additional energy consumption. Finally, combining the ECCM and the TLPOM, we use the Reliable GPU Cluster Architecture (RGCA) to obtain a high-reliability computing system considering the nodes' diversity, algorithm characteristics, etc. The results show that the performance of the algorithms significantly increased by 34.1%, 33.96% and 24.07% for Fermi, Kepler and Maxwell on average with TLPOM and the RGCA ensures that our IoT computing system provides low-cost and high-reliability services.

  10. JOINT ECONOMIC AND ENVIRONMENTAL OPTIMIZATION OF HYBRID POWER SUPPLY FOR LARGE SCALE RO-DESALINATION PLANT: WITH AND WITHOUT CO2 SEQUESTRATION

    Directory of Open Access Journals (Sweden)

    EMAN A. TORA

    2016-07-01

    Full Text Available In this paper, a multi- objective optimization approach is introduced to define a hybrid power supply system for a large scale RO- desalination plant. The target is to integrate a number of locally available energy resources to generate the electricity demand of the RO- desalination plant with minimizing both the electricity generation cost and the greenhouse gas emissions whereby carbon dioxide sequestration may be an option. The considered energy resources and technologies are wind turbines, solar PV, combined cycles with natural gas turbines, combined cycles with coal gasification, pulverized coal with flue gas desulfurization, and biomass combined heat and power CHP. These variable energy resources are investigated under different constraints on the renewable energy contribution. Likewise, the effect of carbon dioxide sequestration is included. Accordingly, five scenarios have been analyzed. Trade- offs between the minimum electricity generation cost and the minimum greenhouse gas emissions have been determined and represented in Pareto curves using the constraint method (. The results highlight that among the studied fossil fuel technologies, the integrated combined cycle natural gas turbines can provide considerable fraction of the needed power supply. Likewise, wind turbines are the most effective technology among renewable energy options. When CO2 sequestration applied, the costs increase and significant changes in the optimum combination of renewable energy resources have been monitored. In that case, solar PV starts to appreciably compete. The optimum mix of energy resources extends to include biomass CHP as well.

  11. Large Scale Solar Heating

    DEFF Research Database (Denmark)

    Heller, Alfred

    2001-01-01

    The main objective of the research was to evaluate large-scale solar heating connected to district heating (CSDHP), to build up a simulation tool and to demonstrate the application of the simulation tool for design studies and on a local energy planning case. The evaluation was mainly carried out...... model is designed and validated on the Marstal case. Applying the Danish Reference Year, a design tool is presented. The simulation tool is used for proposals for application of alternative designs, including high-performance solar collector types (trough solar collectors, vaccum pipe collectors......). Simulation programs are proposed as control supporting tool for daily operation and performance prediction of central solar heating plants. Finaly the CSHP technolgy is put into persepctive with respect to alternatives and a short discussion on the barries and breakthrough of the technology are given....

  12. Large scale model testing

    International Nuclear Information System (INIS)

    Brumovsky, M.; Filip, R.; Polachova, H.; Stepanek, S.

    1989-01-01

    Fracture mechanics and fatigue calculations for WWER reactor pressure vessels were checked by large scale model testing performed using large testing machine ZZ 8000 (with a maximum load of 80 MN) at the SKODA WORKS. The results are described from testing the material resistance to fracture (non-ductile). The testing included the base materials and welded joints. The rated specimen thickness was 150 mm with defects of a depth between 15 and 100 mm. The results are also presented of nozzles of 850 mm inner diameter in a scale of 1:3; static, cyclic, and dynamic tests were performed without and with surface defects (15, 30 and 45 mm deep). During cyclic tests the crack growth rate in the elastic-plastic region was also determined. (author). 6 figs., 2 tabs., 5 refs

  13. A large-scale superhydrophobic surface-enhanced Raman scattering (SERS) platform fabricated via capillary force lithography and assembly of Ag nanocubes for ultratrace molecular sensing.

    Science.gov (United States)

    Tan, Joel Ming Rui; Ruan, Justina Jiexin; Lee, Hiang Kwee; Phang, In Yee; Ling, Xing Yi

    2014-12-28

    An analytical platform with an ultratrace detection limit in the atto-molar (aM) concentration range is vital for forensic, industrial and environmental sectors that handle scarce/highly toxic samples. Superhydrophobic surface-enhanced Raman scattering (SERS) platforms serve as ideal platforms to enhance detection sensitivity by reducing the random spreading of aqueous solution. However, the fabrication of superhydrophobic SERS platforms is generally limited due to the use of sophisticated and expensive protocols and/or suffers structural and signal inconsistency. Herein, we demonstrate a high-throughput fabrication of a stable and uniform superhydrophobic SERS platform for ultratrace molecular sensing. Large-area box-like micropatterns of the polymeric surface are first fabricated using capillary force lithography (CFL). Subsequently, plasmonic properties are incorporated into the patterned surfaces by decorating with Ag nanocubes using the Langmuir-Schaefer technique. To create a stable superhydrophobic SERS platform, an additional 25 nm Ag film is coated over the Ag nanocube-decorated patterned template followed by chemical functionalization with perfluorodecanethiol. Our resulting superhydrophobic SERS platform demonstrates excellent water-repellency with a static contact angle of 165° ± 9° and a consequent analyte concentration factor of 59-fold, as compared to its hydrophilic counterpart. By combining the analyte concentration effect of superhydrophobic surfaces with the intense electromagnetic "hot spots" of Ag nanocubes, our superhydrophobic SERS platform achieves an ultra-low detection limit of 10(-17) M (10 aM) for rhodamine 6G using just 4 μL of analyte solutions, corresponding to an analytical SERS enhancement factor of 10(13). Our fabrication protocol demonstrates a simple, cost- and time-effective approach for the large-scale fabrication of a superhydrophobic SERS platform for ultratrace molecular detection.

  14. Large scale tracking algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Ross L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Love, Joshua Alan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Melgaard, David Kennett [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Karelitz, David B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pitts, Todd Alan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Zollweg, Joshua David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Anderson, Dylan Z. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Nandy, Prabal [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Whitlow, Gary L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bender, Daniel A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Byrne, Raymond Harry [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    Low signal-to-noise data processing algorithms for improved detection, tracking, discrimination and situational threat assessment are a key research challenge. As sensor technologies progress, the number of pixels will increase signi cantly. This will result in increased resolution, which could improve object discrimination, but unfortunately, will also result in a significant increase in the number of potential targets to track. Many tracking techniques, like multi-hypothesis trackers, suffer from a combinatorial explosion as the number of potential targets increase. As the resolution increases, the phenomenology applied towards detection algorithms also changes. For low resolution sensors, "blob" tracking is the norm. For higher resolution data, additional information may be employed in the detection and classfication steps. The most challenging scenarios are those where the targets cannot be fully resolved, yet must be tracked and distinguished for neighboring closely spaced objects. Tracking vehicles in an urban environment is an example of such a challenging scenario. This report evaluates several potential tracking algorithms for large-scale tracking in an urban environment.

  15. Large scale nuclear structure studies

    International Nuclear Information System (INIS)

    Faessler, A.

    1985-01-01

    Results of large scale nuclear structure studies are reported. The starting point is the Hartree-Fock-Bogoliubov solution with angular momentum and proton and neutron number projection after variation. This model for number and spin projected two-quasiparticle excitations with realistic forces yields in sd-shell nuclei similar good results as the 'exact' shell-model calculations. Here the authors present results for a pf-shell nucleus 46 Ti and results for the A=130 mass region where they studied 58 different nuclei with the same single-particle energies and the same effective force derived from a meson exchange potential. They carried out a Hartree-Fock-Bogoliubov variation after mean field projection in realistic model spaces. In this way, they determine for each yrast state the optimal mean Hartree-Fock-Bogoliubov field. They apply this method to 130 Ce and 128 Ba using the same effective nucleon-nucleon interaction. (Auth.)

  16. Large-scale solar purchasing

    International Nuclear Information System (INIS)

    1999-01-01

    The principal objective of the project was to participate in the definition of a new IEA task concerning solar procurement (''the Task'') and to assess whether involvement in the task would be in the interest of the UK active solar heating industry. The project also aimed to assess the importance of large scale solar purchasing to UK active solar heating market development and to evaluate the level of interest in large scale solar purchasing amongst potential large scale purchasers (in particular housing associations and housing developers). A further aim of the project was to consider means of stimulating large scale active solar heating purchasing activity within the UK. (author)

  17. Towards large-scale production of solution-processed organic tandem modules based on ternary composites: Design of the intermediate layer, device optimization and laser based module processing

    DEFF Research Database (Denmark)

    Li, Ning; Kubis, Peter; Forberich, Karen

    2014-01-01

    on commercially available materials, which enhances the absorption of poly(3-hexylthiophene) (P3HT) and as a result increase the PCE of the P3HT-based large-scale OPV devices; 3. laser-based module processing, which provides an excellent processing resolution and as a result can bring the power conversion...... efficiency (PCE) of mass-produced organic photovoltaic (OPV) devices close to the highest PCE values achieved for lab-scale solar cells through a significant increase in the geometrical fill factor. We believe that the combination of the above mentioned concepts provides a clear roadmap to push OPV towards...

  18. Large-scale data analytics

    CERN Document Server

    Gkoulalas-Divanis, Aris

    2014-01-01

    Provides cutting-edge research in large-scale data analytics from diverse scientific areas Surveys varied subject areas and reports on individual results of research in the field Shares many tips and insights into large-scale data analytics from authors and editors with long-term experience and specialization in the field

  19. Enhancing recovery of recombinant hepatitis B surface antigen in lab-scale and large-scale anion-exchange chromatography by optimizing the conductivity of buffers.

    Science.gov (United States)

    Mojarrad Moghanloo, Gol Mohammad; Khatami, Maryam; Javidanbardan, Amin; Hosseini, Seyed Nezamedin

    2018-01-01

    In biopharmaceutical science, ion-exchange chromatography (IEC) is a well-known purification technique to separate the impurities such as host cell proteins from recombinant proteins. However, IEC is one of the limiting steps in the purification process of recombinant hepatitis B surface antigen (rHBsAg), due to its low recovery rate (rate of 82% in both lab-scale and large-scale weak anion-exchange chromatography without any harsh effect on the purity percentage of rHBsAg. The recovery enhancement via increasing the conductivity of Eq. and Wash. buffers can be explained by their roles in reducing the binding strength and aggregation of retained particles in the column. Moreover, further increase in the salt concentration of Elut. Buffer could substantially promote the ion exchange process and the elution of retained rHBsAg. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Large-scale grid management

    International Nuclear Information System (INIS)

    Langdal, Bjoern Inge; Eggen, Arnt Ove

    2003-01-01

    The network companies in the Norwegian electricity industry now have to establish a large-scale network management, a concept essentially characterized by (1) broader focus (Broad Band, Multi Utility,...) and (2) bigger units with large networks and more customers. Research done by SINTEF Energy Research shows so far that the approaches within large-scale network management may be structured according to three main challenges: centralization, decentralization and out sourcing. The article is part of a planned series

  1. Improved flexibility with large-scale variable renewable power in cities through optimal demand side management and power-to-heat conversion

    International Nuclear Information System (INIS)

    Salpakari, Jyri; Mikkola, Jani; Lund, Peter D.

    2016-01-01

    Highlights: • New models for optimal control of shiftable loads and power-to-heat conversion. • Full technical and economic potential with optimal controls. • Detailed time series of shiftable loads based on empirical data. • Case study of Helsinki (Finland) with over 90% share of district heating. • Positive net present values in cost-optimal operation. - Abstract: Solar and wind power are potential carbon-free energy solutions for urban areas, but they are also subject to large variability. At the same time, urban areas offer promising flexibility solutions for balancing variable renewable power. This paper presents models for optimal control of power-to-heat conversion to heating systems and shiftable loads in cities to incorporate large variable renewable power schemes. The power-to-heat systems comprise heat pumps, electric boilers, and thermal storage. The control strategies comprise optimal matching of load and production, and cost-optimal market participation with investment analysis. All analyses are based on hourly data. The models are applied to a case study in Helsinki, Finland. For a scheme providing ca. 50% of all electricity in the city through self-consumption of variable renewables, power-to-heat with thermal storage could absorb all the surplus production. A significant reduction in the net load magnitude was obtained with shiftable loads. Investments to both power-to-heat and load shifting with electric heating and commercial refrigeration have a positive net present value if the resources are controlled cost-optimally.

  2. Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.

    Science.gov (United States)

    Karthikeyan, M; Krishnan, S; Pandey, Anil Kumar; Bender, Andreas; Tropsha, Alexander

    2008-04-01

    We present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its "plug-in architecture". The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.ncl.res.in/chemstar/.

  3. Large scale structure and baryogenesis

    International Nuclear Information System (INIS)

    Kirilova, D.P.; Chizhov, M.V.

    2001-08-01

    We discuss a possible connection between the large scale structure formation and the baryogenesis in the universe. An update review of the observational indications for the presence of a very large scale 120h -1 Mpc in the distribution of the visible matter of the universe is provided. The possibility to generate a periodic distribution with the characteristic scale 120h -1 Mpc through a mechanism producing quasi-periodic baryon density perturbations during inflationary stage, is discussed. The evolution of the baryon charge density distribution is explored in the framework of a low temperature boson condensate baryogenesis scenario. Both the observed very large scale of a the visible matter distribution in the universe and the observed baryon asymmetry value could naturally appear as a result of the evolution of a complex scalar field condensate, formed at the inflationary stage. Moreover, for some model's parameters a natural separation of matter superclusters from antimatter ones can be achieved. (author)

  4. Particle swarm optimization-based automatic parameter selection for deep neural networks and its applications in large-scale and high-dimensional data.

    Science.gov (United States)

    Ye, Fei

    2017-01-01

    In this paper, we propose a new automatic hyperparameter selection approach for determining the optimal network configuration (network structure and hyperparameters) for deep neural networks using particle swarm optimization (PSO) in combination with a steepest gradient descent algorithm. In the proposed approach, network configurations were coded as a set of real-number m-dimensional vectors as the individuals of the PSO algorithm in the search procedure. During the search procedure, the PSO algorithm is employed to search for optimal network configurations via the particles moving in a finite search space, and the steepest gradient descent algorithm is used to train the DNN classifier with a few training epochs (to find a local optimal solution) during the population evaluation of PSO. After the optimization scheme, the steepest gradient descent algorithm is performed with more epochs and the final solutions (pbest and gbest) of the PSO algorithm to train a final ensemble model and individual DNN classifiers, respectively. The local search ability of the steepest gradient descent algorithm and the global search capabilities of the PSO algorithm are exploited to determine an optimal solution that is close to the global optimum. We constructed several experiments on hand-written characters and biological activity prediction datasets to show that the DNN classifiers trained by the network configurations expressed by the final solutions of the PSO algorithm, employed to construct an ensemble model and individual classifier, outperform the random approach in terms of the generalization performance. Therefore, the proposed approach can be regarded an alternative tool for automatic network structure and parameter selection for deep neural networks.

  5. Particle swarm optimization-based automatic parameter selection for deep neural networks and its applications in large-scale and high-dimensional data

    Science.gov (United States)

    2017-01-01

    In this paper, we propose a new automatic hyperparameter selection approach for determining the optimal network configuration (network structure and hyperparameters) for deep neural networks using particle swarm optimization (PSO) in combination with a steepest gradient descent algorithm. In the proposed approach, network configurations were coded as a set of real-number m-dimensional vectors as the individuals of the PSO algorithm in the search procedure. During the search procedure, the PSO algorithm is employed to search for optimal network configurations via the particles moving in a finite search space, and the steepest gradient descent algorithm is used to train the DNN classifier with a few training epochs (to find a local optimal solution) during the population evaluation of PSO. After the optimization scheme, the steepest gradient descent algorithm is performed with more epochs and the final solutions (pbest and gbest) of the PSO algorithm to train a final ensemble model and individual DNN classifiers, respectively. The local search ability of the steepest gradient descent algorithm and the global search capabilities of the PSO algorithm are exploited to determine an optimal solution that is close to the global optimum. We constructed several experiments on hand-written characters and biological activity prediction datasets to show that the DNN classifiers trained by the network configurations expressed by the final solutions of the PSO algorithm, employed to construct an ensemble model and individual classifier, outperform the random approach in terms of the generalization performance. Therefore, the proposed approach can be regarded an alternative tool for automatic network structure and parameter selection for deep neural networks. PMID:29236718

  6. ImmunoGrid, an integrative environment for large-scale simulation of the immune system for vaccine discovery, design and optimization

    DEFF Research Database (Denmark)

    Pappalardo, F.; Halling-Brown, M. D.; Rapin, Nicolas

    2009-01-01

    conceptual models of the immune system, models of antigen processing and presentation, system-level models of the immune system, Grid computing, and database technology to facilitate discovery, formulation and optimization of vaccines. ImmunoGrid modules share common conceptual models and ontologies......Vaccine research is a combinatorial science requiring computational analysis of vaccine components, formulations and optimization. We have developed a framework that combines computational tools for the study of immune function and vaccine development. This framework, named ImmunoGrid combines...

  7. Large-scale linear programs in planning and prediction.

    Science.gov (United States)

    2017-06-01

    Large-scale linear programs are at the core of many traffic-related optimization problems in both planning and prediction. Moreover, many of these involve significant uncertainty, and hence are modeled using either chance constraints, or robust optim...

  8. HIV-TRACE (Transmission Cluster Engine): a tool for large scale molecular epidemiology of HIV-1 and other rapidly evolving pathogens.

    Science.gov (United States)

    Kosakovsky Pond, Sergei L; Weaver, Steven; Leigh Brown, Andrew J; Wertheim, Joel O

    2018-01-31

    In modern applications of molecular epidemiology, genetic sequence data are routinely used to identify clusters of transmission in rapidly evolving pathogens, most notably HIV-1. Traditional 'shoeleather' epidemiology infers transmission clusters by tracing chains of partners sharing epidemiological connections (e.g., sexual contact). Here, we present a computational tool for identifying a molecular transmission analog of such clusters: HIV-TRACE (TRAnsmission Cluster Engine). HIV-TRACE implements an approach inspired by traditional epidemiology, by identifying chains of partners whose viral genetic relatedness imply direct or indirect epidemiological connections. Molecular transmission clusters are constructed using codon-aware pairwise alignment to a reference sequence followed by pairwise genetic distance estimation among all sequences. This approach is computationally tractable and is capable of identifying HIV-1 transmission clusters in large surveillance databases comprising tens or hundreds of thousands of sequences in near real time, i.e., on the order of minutes to hours. HIV-TRACE is available at www.hivtrace.org and from github.com/veg/hivtrace, along with the accompanying result visualization module from github.com/veg/hivtrace-viz. Importantly, the approach underlying HIV-TRACE is not limited to the study of HIV-1 and can be applied to study outbreaks and epidemics of other rapidly evolving pathogens. © The Author 2018. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  9. Large-scale hydropower system optimization using dynamic programming and object-oriented programming: the case of the Northeast China Power Grid.

    Science.gov (United States)

    Li, Ji-Qing; Zhang, Yu-Shan; Ji, Chang-Ming; Wang, Ai-Jing; Lund, Jay R

    2013-01-01

    This paper examines long-term optimal operation using dynamic programming for a large hydropower system of 10 reservoirs in Northeast China. Besides considering flow and hydraulic head, the optimization explicitly includes time-varying electricity market prices to maximize benefit. Two techniques are used to reduce the 'curse of dimensionality' of dynamic programming with many reservoirs. Discrete differential dynamic programming (DDDP) reduces the search space and computer memory needed. Object-oriented programming (OOP) and the ability to dynamically allocate and release memory with the C++ language greatly reduces the cumulative effect of computer memory for solving multi-dimensional dynamic programming models. The case study shows that the model can reduce the 'curse of dimensionality' and achieve satisfactory results.

  10. Quasar Feedback in the Ultraluminous Infrared Galaxy F11119+3257: Connecting the Accretion Disk Wind with the Large-scale Molecular Outflow

    Science.gov (United States)

    Veilleux, S.; Bolatto, A.; Tombesi, F.; Meléndez, M.; Sturm, E.; González-Alfonso, E.; Fischer, J.; Rupke, D. S. N.

    2017-07-01

    In Tombesi et al., we reported the first direct evidence for a quasar accretion disk wind driving a massive (>100 M ⊙ yr-1) molecular outflow. The target was F11119+3257, an ultraluminous infrared galaxy (ULIRG) with unambiguous type 1 quasar optical broad emission lines. The energetics of the accretion disk wind and molecular outflow were found to be consistent with the predictions of quasar feedback models where the molecular outflow is driven by a hot energy-conserving bubble inflated by the inner quasar accretion disk wind. However, this conclusion was uncertain because the mass outflow rate, momentum flux, and mechanical power of the outflowing molecular gas were estimated from the optically thick OH 119 μm transition profile observed with Herschel. Here, we independently confirm the presence of the molecular outflow in F11119+3257, based on the detection of ˜±1000 km s-1 blue- and redshifted wings in the CO(1-0) emission line profile derived from deep ALMA observations obtained in the compact array configuration (˜2.″8 resolution). The broad CO(1-0) line emission appears to be spatially extended on a scale of at least ˜7 kpc from the center. Mass outflow rate, momentum flux, and mechanical power of (80-200) {R}7-1 M ⊙ yr-1, (1.5-3.0) {R}7-1 L AGN/c, and (0.15-0.40)% {R}7-1 {L}{AGN}, respectively, are inferred from these data, assuming a CO-to-H2 conversion factor appropriate for a ULIRG (R 7 is the radius of the outflow normalized to 7 kpc, and L AGN is the AGN luminosity). These rates are time-averaged over a flow timescale of 7 × 106 yr. They are similar to the OH-based rates time-averaged over a flow timescale of 4 × 105 yr, but about a factor of 4 smaller than the local (“instantaneous” ≲105 yr) OH-based estimates cited in Tombesi et al. The implications of these new results are discussed in the context of time-variable quasar-mode feedback and galaxy evolution. The need for an energy-conserving bubble to explain the molecular outflow

  11. Large-scale CO J = 1-0 observations of the giant molecular cloud associated with the infrared ring N35 with the Nobeyama 45 m telescope

    Science.gov (United States)

    Torii, Kazufumi; Fujita, Shinji; Matsuo, Mitsuhiro; Nishimura, Atsushi; Kohno, Mikito; Kuriki, Mika; Tsuda, Yuya; Minamidani, Tetsuhiro; Umemoto, Tomofumi; Kuno, Nario; Hattori, Yusuke; Yoshiike, Satoshi; Ohama, Akio; Tachihara, Kengo; Shima, Kazuhiro; Habe, Asao; Fukui, Yasuo

    2018-05-01

    We report an observational study of the giant molecular cloud (GMC) associated with the Galactic infrared ring-like structure N35 and two nearby H II regions G024.392+00.072 (H II region A) and G024.510-00.060 (H II region B), using the new CO J = 1-0 data obtained as a part of the FOREST Unbiased Galactic Plane Imaging survey with the Nobeyama 45 m telescope (FUGIN) project at a spatial resolution of 21″. Our CO data reveals that the GMC, with a total molecular mass of 2.1 × 106 M⊙, has two velocity components of over ˜10-15 km s-1. The majority of molecular gas in the GMC is included in the lower-velocity component (LVC) at ˜110-114 km s-1, while the higher-velocity components (HVCs) at ˜118-126 km s-1 consist of three smaller molecular clouds which are located near the three H II regions. The LVC and HVCs show spatially complementary distributions along the line-of-sight, despite large velocity separations of ˜5-15 km s-1, and are connected in velocity by the CO emission with intermediate intensities. By comparing the observations with simulations, we discuss a scenario where collisions of the three HVCs with the LVC at velocities of ˜10-15 km s-1 can provide an interpretation of these two observational signatures. The intermediate-velocity features between the LVC and HVCs can be understood as broad bridge features, which indicate the turbulent motion of the gas at the collision interfaces, while the spatially complementary distributions represent the cavities created in the LVC by the HVCs through the collisions. Our model indicates that the three H II regions were formed after the onset of the collisions, and it is therefore suggested that the high-mass star formation in the GMC was triggered by the collisions.

  12. A hybrid particle swarm optimization and genetic algorithm for closed-loop supply chain network design in large-scale networks

    DEFF Research Database (Denmark)

    Soleimani, Hamed; Kannan, Govindan

    2015-01-01

    Today, tracking the growing interest in closed-loop supply chain shown by both practitioners and academia is easily possible. There are many factors, which transform closed-loop supply chain issues into a unique and vital subject in supply chain management, such as environmental legislation...... is proposed and a complete validation process is undertaken using CPLEX and MATLAB software. In small instances, the global optimum points of CPLEX for the proposed hybrid algorithm are compared to genetic algorithm, and particle swarm optimization. Then, in small, mid, and large-size instances, performances...

  13. Economic and environmental optimization of a large scale sustainable dual feedstock lignocellulosic-based bioethanol supply chain in a stochastic environment

    International Nuclear Information System (INIS)

    Osmani, Atif; Zhang, Jun

    2014-01-01

    Highlights: • 2-Stage stochastic MILP model for optimizing the performance of a sustainable lignocellulosic-based biofuel supply chain. • Multiple uncertainties in biomass supply, purchase price of biomass, bioethanol demand, and sale price of bioethanol. • Stochastic parameters significantly impact the allocation of biomass processing capacities of biorefineries. • Location of biorefineries and choice of conversion technology is found to be insensitive to the stochastic environment. • Use of Sample Average Approximation (SAA) algorithm as a decomposition technique. - Abstract: This work proposes a two-stage stochastic optimization model to maximize the expected profit and simultaneously minimize carbon emissions of a dual-feedstock lignocellulosic-based bioethanol supply chain (LBSC) under uncertainties in supply, demand and prices. The model decides the optimal first-stage decisions and the expected values of the second-stage decisions. A case study based on a 4-state Midwestern region in the US demonstrates the effectiveness of the proposed stochastic model over a deterministic model under uncertainties. Two regional modes are considered for the geographic scale of the LBSC. Under co-operation mode the 4 states are considered as a combined region while under stand-alone mode each of the 4 states is considered as an individual region. Each state under co-operation mode gives better financial and environmental outcomes when compared to stand-alone mode. Uncertainty has a significant impact on the biomass processing capacity of biorefineries. While the location and the choice of conversion technology for biorefineries i.e. biochemical vs. thermochemical, are insensitive to the stochastic environment. As variability of the stochastic parameters increases, the financial and environmental performance is degraded. Sensitivity analysis shows that levels of tax credit and carbon price have a major impact on the choice of conversion technology for a selected

  14. Half dozen of one, six billion of the other: What can small- and large-scale molecular systems biology learn from one another?

    Science.gov (United States)

    Mellis, Ian A; Raj, Arjun

    2015-10-01

    Small-scale molecular systems biology, by which we mean the understanding of a how a few parts work together to control a particular biological process, is predicated on the assumption that cellular regulation is arranged in a circuit-like structure. Results from the omics revolution have upset this vision to varying degrees by revealing a high degree of interconnectivity, making it difficult to develop a simple, circuit-like understanding of regulatory processes. We here outline the limitations of the small-scale systems biology approach with examples from research into genetic algorithms, genetics, transcriptional network analysis, and genomics. We also discuss the difficulties associated with deriving true understanding from the analysis of large data sets and propose that the development of new, intelligent, computational tools may point to a way forward. Throughout, we intentionally oversimplify and talk about things in which we have little expertise, and it is likely that many of our arguments are wrong on one level or another. We do believe, however, that developing a true understanding via molecular systems biology will require a fundamental rethinking of our approach, and our goal is to provoke thought along these lines. © 2015 Mellis and Raj; Published by Cold Spring Harbor Laboratory Press.

  15. Large-scale solar heat

    Energy Technology Data Exchange (ETDEWEB)

    Tolonen, J.; Konttinen, P.; Lund, P. [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Engineering Physics and Mathematics

    1998-12-31

    In this project a large domestic solar heating system was built and a solar district heating system was modelled and simulated. Objectives were to improve the performance and reduce costs of a large-scale solar heating system. As a result of the project the benefit/cost ratio can be increased by 40 % through dimensioning and optimising the system at the designing stage. (orig.)

  16. Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations.

    Science.gov (United States)

    Dudev, Todor; Devereux, Mike; Meuwly, Markus; Lim, Carmay; Piquemal, Jean-Philip; Gresh, Nohad

    2015-02-15

    The alkali metal cations in the series Li(+)-Cs(+) act as major partners in a diversity of biological processes and in bioinorganic chemistry. In this article, we present the results of their calibration in the context of the SIBFA polarizable molecular mechanics/dynamics procedure. It relies on quantum-chemistry (QC) energy-decomposition analyses of their monoligated complexes with representative O-, N-, S-, and Se- ligands, performed with the aug-cc-pVTZ(-f) basis set at the Hartree-Fock level. Close agreement with QC is obtained for each individual contribution, even though the calibration involves only a limited set of cation-specific parameters. This agreement is preserved in tests on polyligated complexes with four and six O- ligands, water and formamide, indicating the transferability of the procedure. Preliminary extensions to density functional theory calculations are reported. © 2014 Wiley Periodicals, Inc.

  17. A massively parallel algorithm for the solution of constrained equations of motion with applications to large-scale, long-time molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fijany, A. [Jet Propulsion Lab., Pasadena, CA (United States); Coley, T.R. [Virtual Chemistry, Inc., San Diego, CA (United States); Cagin, T.; Goddard, W.A. III [California Institute of Technology, Pasadena, CA (United States)

    1997-12-31

    Successful molecular dynamics (MD) simulation of large systems (> million atoms) for long times (> nanoseconds) requires the integration of constrained equations of motion (CEOM). Constraints are used to eliminate high frequency degrees of freedom (DOF) and to allow the use of rigid bodies. Solving the CEOM allows for larger integration time-steps and helps focus the simulation on the important collective dynamics of chemical, biological, and materials systems. We explore advances in multibody dynamics which have resulted in O(N) algorithms for propagating the CEOM. However, because of their strictly sequential nature, the computational time required by these algorithms does not scale down with increased numbers of processors. We then present the new constraint force algorithm for solving the CEOM and show that this algorithm is fully parallelizable, leading to a computational cost of O(N/P+IogP) for N DOF on P processors.

  18. Large-Scale Molecular Simulations on the Mechanical Response and Failure Behavior of a defective Graphene: Cases of 5-8-5 Defects

    Science.gov (United States)

    Wang, Shuaiwei; Yang, Baocheng; Yuan, Jinyun; Si, Yubing; Chen, Houyang

    2015-10-01

    Understanding the effect of defects on mechanical responses and failure behaviors of a graphene membrane is important for its applications. As examples, in this paper, a family of graphene with various 5-8-5 defects are designed and their mechanical responses are investigated by employing molecular dynamics simulations. The dependence of fracture strength and strain as well as Young’s moduli on the nearest neighbor distance and defect types is examined. By introducing the 5-8-5 defects into graphene, the fracture strength and strain become smaller. However, the Young’s moduli of DL (Linear arrangement of repeat unit 5-8-5 defect along zigzag-direction of graphene), DS (a Slope angle between repeat unit 5-8-5 defect and zigzag direction of graphene) and DZ (Zigzag-like 5-8-5 defects) defects in the zigzag direction become larger than those in the pristine graphene in the same direction. A maximum increase of 11.8% of Young’s modulus is obtained. Furthermore, the brittle cracking mechanism is proposed for the graphene with 5-8-5 defects. The present work may provide insights in controlling the mechanical properties by preparing defects in the graphene, and give a full picture for the applications of graphene with defects in flexible electronics and nanodevices.

  19. Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

    Science.gov (United States)

    Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

    2016-07-14

    We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives.

  20. Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection.

    Science.gov (United States)

    Toofanny, Rudesh D; Simms, Andrew M; Beck, David A C; Daggett, Valerie

    2011-08-10

    Molecular dynamics (MD) simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of protein folding, dynamics, and function. The calculation of atomic interactions or contacts from an MD trajectory is computationally demanding and the work required grows exponentially with the size of the simulation system. We describe the implementation of a spatial indexing algorithm in our multi-terabyte MD simulation database that significantly reduces the run-time required for discovery of contacts. The approach is applied to the Dynameomics project data. Spatial indexing, also known as spatial hashing, is a method that divides the simulation space into regular sized bins and attributes an index to each bin. Since, the calculation of contacts is widely employed in the simulation field, we also use this as the basis for testing compression of data tables. We investigate the effects of compression of the trajectory coordinate tables with different options of data and index compression within MS SQL SERVER 2008. Our implementation of spatial indexing speeds up the calculation of contacts over a 1 nanosecond (ns) simulation window by between 14% and 90% (i.e., 1.2 and 10.3 times faster). For a 'full' simulation trajectory (51 ns) spatial indexing reduces the calculation run-time between 31 and 81% (between 1.4 and 5.3 times faster). Compression resulted in reduced table sizes but resulted in no significant difference in the total execution time for neighbour discovery. The greatest compression (~36%) was achieved using page level compression on both the data and indexes. The spatial indexing scheme significantly decreases the time taken to calculate atomic contacts and could be applied to other multidimensional neighbor discovery problems. The speed up enables on-the-fly calculation

  1. Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection

    Directory of Open Access Journals (Sweden)

    Toofanny Rudesh D

    2011-08-01

    Full Text Available Abstract Background Molecular dynamics (MD simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of protein folding, dynamics, and function. The calculation of atomic interactions or contacts from an MD trajectory is computationally demanding and the work required grows exponentially with the size of the simulation system. We describe the implementation of a spatial indexing algorithm in our multi-terabyte MD simulation database that significantly reduces the run-time required for discovery of contacts. The approach is applied to the Dynameomics project data. Spatial indexing, also known as spatial hashing, is a method that divides the simulation space into regular sized bins and attributes an index to each bin. Since, the calculation of contacts is widely employed in the simulation field, we also use this as the basis for testing compression of data tables. We investigate the effects of compression of the trajectory coordinate tables with different options of data and index compression within MS SQL SERVER 2008. Results Our implementation of spatial indexing speeds up the calculation of contacts over a 1 nanosecond (ns simulation window by between 14% and 90% (i.e., 1.2 and 10.3 times faster. For a 'full' simulation trajectory (51 ns spatial indexing reduces the calculation run-time between 31 and 81% (between 1.4 and 5.3 times faster. Compression resulted in reduced table sizes but resulted in no significant difference in the total execution time for neighbour discovery. The greatest compression (~36% was achieved using page level compression on both the data and indexes. Conclusions The spatial indexing scheme significantly decreases the time taken to calculate atomic contacts and could be applied to other multidimensional neighbor discovery

  2. Japanese large-scale interferometers

    CERN Document Server

    Kuroda, K; Miyoki, S; Ishizuka, H; Taylor, C T; Yamamoto, K; Miyakawa, O; Fujimoto, M K; Kawamura, S; Takahashi, R; Yamazaki, T; Arai, K; Tatsumi, D; Ueda, A; Fukushima, M; Sato, S; Shintomi, T; Yamamoto, A; Suzuki, T; Saitô, Y; Haruyama, T; Sato, N; Higashi, Y; Uchiyama, T; Tomaru, T; Tsubono, K; Ando, M; Takamori, A; Numata, K; Ueda, K I; Yoneda, H; Nakagawa, K; Musha, M; Mio, N; Moriwaki, S; Somiya, K; Araya, A; Kanda, N; Telada, S; Sasaki, M; Tagoshi, H; Nakamura, T; Tanaka, T; Ohara, K

    2002-01-01

    The objective of the TAMA 300 interferometer was to develop advanced technologies for kilometre scale interferometers and to observe gravitational wave events in nearby galaxies. It was designed as a power-recycled Fabry-Perot-Michelson interferometer and was intended as a step towards a final interferometer in Japan. The present successful status of TAMA is presented. TAMA forms a basis for LCGT (large-scale cryogenic gravitational wave telescope), a 3 km scale cryogenic interferometer to be built in the Kamioka mine in Japan, implementing cryogenic mirror techniques. The plan of LCGT is schematically described along with its associated R and D.

  3. Economically viable large-scale hydrogen liquefaction

    Science.gov (United States)

    Cardella, U.; Decker, L.; Klein, H.

    2017-02-01

    The liquid hydrogen demand, particularly driven by clean energy applications, will rise in the near future. As industrial large scale liquefiers will play a major role within the hydrogen supply chain, production capacity will have to increase by a multiple of today’s typical sizes. The main goal is to reduce the total cost of ownership for these plants by increasing energy efficiency with innovative and simple process designs, optimized in capital expenditure. New concepts must ensure a manageable plant complexity and flexible operability. In the phase of process development and selection, a dimensioning of key equipment for large scale liquefiers, such as turbines and compressors as well as heat exchangers, must be performed iteratively to ensure technological feasibility and maturity. Further critical aspects related to hydrogen liquefaction, e.g. fluid properties, ortho-para hydrogen conversion, and coldbox configuration, must be analysed in detail. This paper provides an overview on the approach, challenges and preliminary results in the development of efficient as well as economically viable concepts for large-scale hydrogen liquefaction.

  4. Large scale biomimetic membrane arrays

    DEFF Research Database (Denmark)

    Hansen, Jesper Søndergaard; Perry, Mark; Vogel, Jörg

    2009-01-01

    To establish planar biomimetic membranes across large scale partition aperture arrays, we created a disposable single-use horizontal chamber design that supports combined optical-electrical measurements. Functional lipid bilayers could easily and efficiently be established across CO2 laser micro......-structured 8 x 8 aperture partition arrays with average aperture diameters of 301 +/- 5 mu m. We addressed the electro-physical properties of the lipid bilayers established across the micro-structured scaffold arrays by controllable reconstitution of biotechnological and physiological relevant membrane...... peptides and proteins. Next, we tested the scalability of the biomimetic membrane design by establishing lipid bilayers in rectangular 24 x 24 and hexagonal 24 x 27 aperture arrays, respectively. The results presented show that the design is suitable for further developments of sensitive biosensor assays...

  5. Large-scale river regulation

    International Nuclear Information System (INIS)

    Petts, G.

    1994-01-01

    Recent concern over human impacts on the environment has tended to focus on climatic change, desertification, destruction of tropical rain forests, and pollution. Yet large-scale water projects such as dams, reservoirs, and inter-basin transfers are among the most dramatic and extensive ways in which our environment has been, and continues to be, transformed by human action. Water running to the sea is perceived as a lost resource, floods are viewed as major hazards, and wetlands are seen as wastelands. River regulation, involving the redistribution of water in time and space, is a key concept in socio-economic development. To achieve water and food security, to develop drylands, and to prevent desertification and drought are primary aims for many countries. A second key concept is ecological sustainability. Yet the ecology of rivers and their floodplains is dependent on the natural hydrological regime, and its related biochemical and geomorphological dynamics. (Author)

  6. Reviving large-scale projects

    International Nuclear Information System (INIS)

    Desiront, A.

    2003-01-01

    For the past decade, most large-scale hydro development projects in northern Quebec have been put on hold due to land disputes with First Nations. Hydroelectric projects have recently been revived following an agreement signed with Aboriginal communities in the province who recognized the need to find new sources of revenue for future generations. Many Cree are working on the project to harness the waters of the Eastmain River located in the middle of their territory. The work involves building an 890 foot long dam, 30 dikes enclosing a 603 square-km reservoir, a spillway, and a power house with 3 generating units with a total capacity of 480 MW of power for start-up in 2007. The project will require the use of 2,400 workers in total. The Cree Construction and Development Company is working on relations between Quebec's 14,000 Crees and the James Bay Energy Corporation, the subsidiary of Hydro-Quebec which is developing the project. Approximately 10 per cent of the $735-million project has been designated for the environmental component. Inspectors ensure that the project complies fully with environmental protection guidelines. Total development costs for Eastmain-1 are in the order of $2 billion of which $735 million will cover work on site and the remainder will cover generating units, transportation and financial charges. Under the treaty known as the Peace of the Braves, signed in February 2002, the Quebec government and Hydro-Quebec will pay the Cree $70 million annually for 50 years for the right to exploit hydro, mining and forest resources within their territory. The project comes at a time when electricity export volumes to the New England states are down due to growth in Quebec's domestic demand. Hydropower is a renewable and non-polluting source of energy that is one of the most acceptable forms of energy where the Kyoto Protocol is concerned. It was emphasized that large-scale hydro-electric projects are needed to provide sufficient energy to meet both

  7. Grid sensitivity capability for large scale structures

    Science.gov (United States)

    Nagendra, Gopal K.; Wallerstein, David V.

    1989-01-01

    The considerations and the resultant approach used to implement design sensitivity capability for grids into a large scale, general purpose finite element system (MSC/NASTRAN) are presented. The design variables are grid perturbations with a rather general linking capability. Moreover, shape and sizing variables may be linked together. The design is general enough to facilitate geometric modeling techniques for generating design variable linking schemes in an easy and straightforward manner. Test cases have been run and validated by comparison with the overall finite difference method. The linking of a design sensitivity capability for shape variables in MSC/NASTRAN with an optimizer would give designers a powerful, automated tool to carry out practical optimization design of real life, complicated structures.

  8. Large Scale Glazed Concrete Panels

    DEFF Research Database (Denmark)

    Bache, Anja Margrethe

    2010-01-01

    Today, there is a lot of focus on concrete surface’s aesthitic potential, both globally and locally. World famous architects such as Herzog De Meuron, Zaha Hadid, Richard Meyer and David Chippenfield challenge the exposure of concrete in their architecture. At home, this trend can be seen...... in the crinkly façade of DR-Byen (the domicile of the Danish Broadcasting Company) by architect Jean Nouvel and Zaha Hadid’s Ordrupgård’s black curved smooth concrete surfaces. Furthermore, one can point to initiatives such as “Synlig beton” (visible concrete) that can be seen on the website www.......synligbeton.dk and spæncom’s aesthetic relief effects by the designer Line Kramhøft (www.spaencom.com). It is my hope that the research-development project “Lasting large scale glazed concrete formwork,” I am working on at DTU, department of Architectural Engineering will be able to complement these. It is a project where I...

  9. Large scale cluster computing workshop

    International Nuclear Information System (INIS)

    Dane Skow; Alan Silverman

    2002-01-01

    Recent revolutions in computer hardware and software technologies have paved the way for the large-scale deployment of clusters of commodity computers to address problems heretofore the domain of tightly coupled SMP processors. Near term projects within High Energy Physics and other computing communities will deploy clusters of scale 1000s of processors and be used by 100s to 1000s of independent users. This will expand the reach in both dimensions by an order of magnitude from the current successful production facilities. The goals of this workshop were: (1) to determine what tools exist which can scale up to the cluster sizes foreseen for the next generation of HENP experiments (several thousand nodes) and by implication to identify areas where some investment of money or effort is likely to be needed. (2) To compare and record experimences gained with such tools. (3) To produce a practical guide to all stages of planning, installing, building and operating a large computing cluster in HENP. (4) To identify and connect groups with similar interest within HENP and the larger clustering community

  10. Large scale cross hole testing

    International Nuclear Information System (INIS)

    Ball, J.K.; Black, J.H.; Doe, T.

    1991-05-01

    As part of the Site Characterisation and Validation programme the results of the large scale cross hole testing have been used to document hydraulic connections across the SCV block, to test conceptual models of fracture zones and obtain hydrogeological properties of the major hydrogeological features. The SCV block is highly heterogeneous. This heterogeneity is not smoothed out even over scales of hundreds of meters. Results of the interpretation validate the hypothesis of the major fracture zones, A, B and H; not much evidence of minor fracture zones is found. The uncertainty in the flow path, through the fractured rock, causes sever problems in interpretation. Derived values of hydraulic conductivity were found to be in a narrow range of two to three orders of magnitude. Test design did not allow fracture zones to be tested individually. This could be improved by testing the high hydraulic conductivity regions specifically. The Piezomac and single hole equipment worked well. Few, if any, of the tests ran long enough to approach equilibrium. Many observation boreholes showed no response. This could either be because there is no hydraulic connection, or there is a connection but a response is not seen within the time scale of the pumping test. The fractional dimension analysis yielded credible results, and the sinusoidal testing procedure provided an effective means of identifying the dominant hydraulic connections. (10 refs.) (au)

  11. Large-scale pool fires

    Directory of Open Access Journals (Sweden)

    Steinhaus Thomas

    2007-01-01

    Full Text Available A review of research into the burning behavior of large pool fires and fuel spill fires is presented. The features which distinguish such fires from smaller pool fires are mainly associated with the fire dynamics at low source Froude numbers and the radiative interaction with the fire source. In hydrocarbon fires, higher soot levels at increased diameters result in radiation blockage effects around the perimeter of large fire plumes; this yields lower emissive powers and a drastic reduction in the radiative loss fraction; whilst there are simplifying factors with these phenomena, arising from the fact that soot yield can saturate, there are other complications deriving from the intermittency of the behavior, with luminous regions of efficient combustion appearing randomly in the outer surface of the fire according the turbulent fluctuations in the fire plume. Knowledge of the fluid flow instabilities, which lead to the formation of large eddies, is also key to understanding the behavior of large-scale fires. Here modeling tools can be effectively exploited in order to investigate the fluid flow phenomena, including RANS- and LES-based computational fluid dynamics codes. The latter are well-suited to representation of the turbulent motions, but a number of challenges remain with their practical application. Massively-parallel computational resources are likely to be necessary in order to be able to adequately address the complex coupled phenomena to the level of detail that is necessary.

  12. Malaria diagnosis from pooled blood samples: comparative analysis of real-time PCR, nested PCR and immunoassay as a platform for the molecular and serological diagnosis of malaria on a large-scale

    Directory of Open Access Journals (Sweden)

    Giselle FMC Lima

    2011-09-01

    Full Text Available Malaria diagnoses has traditionally been made using thick blood smears, but more sensitive and faster techniques are required to process large numbers of samples in clinical and epidemiological studies and in blood donor screening. Here, we evaluated molecular and serological tools to build a screening platform for pooled samples aimed at reducing both the time and the cost of these diagnoses. Positive and negative samples were analysed in individual and pooled experiments using real-time polymerase chain reaction (PCR, nested PCR and an immunochromatographic test. For the individual tests, 46/49 samples were positive by real-time PCR, 46/49 were positive by nested PCR and 32/46 were positive by immunochromatographic test. For the assays performed using pooled samples, 13/15 samples were positive by real-time PCR and nested PCR and 11/15 were positive by immunochromatographic test. These molecular methods demonstrated sensitivity and specificity for both the individual and pooled samples. Due to the advantages of the real-time PCR, such as the fast processing and the closed system, this method should be indicated as the first choice for use in large-scale diagnosis and the nested PCR should be used for species differentiation. However, additional field isolates should be tested to confirm the results achieved using cultured parasites and the serological test should only be adopted as a complementary method for malaria diagnosis.

  13. Large-scale galaxy bias

    Science.gov (United States)

    Desjacques, Vincent; Jeong, Donghui; Schmidt, Fabian

    2018-02-01

    This review presents a comprehensive overview of galaxy bias, that is, the statistical relation between the distribution of galaxies and matter. We focus on large scales where cosmic density fields are quasi-linear. On these scales, the clustering of galaxies can be described by a perturbative bias expansion, and the complicated physics of galaxy formation is absorbed by a finite set of coefficients of the expansion, called bias parameters. The review begins with a detailed derivation of this very important result, which forms the basis of the rigorous perturbative description of galaxy clustering, under the assumptions of General Relativity and Gaussian, adiabatic initial conditions. Key components of the bias expansion are all leading local gravitational observables, which include the matter density but also tidal fields and their time derivatives. We hence expand the definition of local bias to encompass all these contributions. This derivation is followed by a presentation of the peak-background split in its general form, which elucidates the physical meaning of the bias parameters, and a detailed description of the connection between bias parameters and galaxy statistics. We then review the excursion-set formalism and peak theory which provide predictions for the values of the bias parameters. In the remainder of the review, we consider the generalizations of galaxy bias required in the presence of various types of cosmological physics that go beyond pressureless matter with adiabatic, Gaussian initial conditions: primordial non-Gaussianity, massive neutrinos, baryon-CDM isocurvature perturbations, dark energy, and modified gravity. Finally, we discuss how the description of galaxy bias in the galaxies' rest frame is related to clustering statistics measured from the observed angular positions and redshifts in actual galaxy catalogs.

  14. Large-scale galaxy bias

    Science.gov (United States)

    Jeong, Donghui; Desjacques, Vincent; Schmidt, Fabian

    2018-01-01

    Here, we briefly introduce the key results of the recent review (arXiv:1611.09787), whose abstract is as following. This review presents a comprehensive overview of galaxy bias, that is, the statistical relation between the distribution of galaxies and matter. We focus on large scales where cosmic density fields are quasi-linear. On these scales, the clustering of galaxies can be described by a perturbative bias expansion, and the complicated physics of galaxy formation is absorbed by a finite set of coefficients of the expansion, called bias parameters. The review begins with a detailed derivation of this very important result, which forms the basis of the rigorous perturbative description of galaxy clustering, under the assumptions of General Relativity and Gaussian, adiabatic initial conditions. Key components of the bias expansion are all leading local gravitational observables, which include the matter density but also tidal fields and their time derivatives. We hence expand the definition of local bias to encompass all these contributions. This derivation is followed by a presentation of the peak-background split in its general form, which elucidates the physical meaning of the bias parameters, and a detailed description of the connection between bias parameters and galaxy (or halo) statistics. We then review the excursion set formalism and peak theory which provide predictions for the values of the bias parameters. In the remainder of the review, we consider the generalizations of galaxy bias required in the presence of various types of cosmological physics that go beyond pressureless matter with adiabatic, Gaussian initial conditions: primordial non-Gaussianity, massive neutrinos, baryon-CDM isocurvature perturbations, dark energy, and modified gravity. Finally, we discuss how the description of galaxy bias in the galaxies' rest frame is related to clustering statistics measured from the observed angular positions and redshifts in actual galaxy catalogs.

  15. Large-scale Intelligent Transporation Systems simulation

    Energy Technology Data Exchange (ETDEWEB)

    Ewing, T.; Canfield, T.; Hannebutte, U.; Levine, D.; Tentner, A.

    1995-06-01

    A prototype computer system has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS) capable of running on massively parallel computers and distributed (networked) computer systems. The prototype includes the modelling of instrumented ``smart`` vehicles with in-vehicle navigation units capable of optimal route planning and Traffic Management Centers (TMC). The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide 2-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphical user interfaces to support human-factors studies. The prototype has been developed on a distributed system of networked UNIX computers but is designed to run on ANL`s IBM SP-X parallel computer system for large scale problems. A novel feature of our design is that vehicles will be represented by autonomus computer processes, each with a behavior model which performs independent route selection and reacts to external traffic events much like real vehicles. With this approach, one will be able to take advantage of emerging massively parallel processor (MPP) systems.

  16. Comparative Analysis of Different Protocols to Manage Large Scale Networks

    OpenAIRE

    Anil Rao Pimplapure; Dr Jayant Dubey; Prashant Sen

    2013-01-01

    In recent year the numbers, complexity and size is increased in Large Scale Network. The best example of Large Scale Network is Internet, and recently once are Data-centers in Cloud Environment. In this process, involvement of several management tasks such as traffic monitoring, security and performance optimization is big task for Network Administrator. This research reports study the different protocols i.e. conventional protocols like Simple Network Management Protocol and newly Gossip bas...

  17. Large-scale sequential quadratic programming algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Eldersveld, S.K.

    1992-09-01

    The problem addressed is the general nonlinear programming problem: finding a local minimizer for a nonlinear function subject to a mixture of nonlinear equality and inequality constraints. The methods studied are in the class of sequential quadratic programming (SQP) algorithms, which have previously proved successful for problems of moderate size. Our goal is to devise an SQP algorithm that is applicable to large-scale optimization problems, using sparse data structures and storing less curvature information but maintaining the property of superlinear convergence. The main features are: 1. The use of a quasi-Newton approximation to the reduced Hessian of the Lagrangian function. Only an estimate of the reduced Hessian matrix is required by our algorithm. The impact of not having available the full Hessian approximation is studied and alternative estimates are constructed. 2. The use of a transformation matrix Q. This allows the QP gradient to be computed easily when only the reduced Hessian approximation is maintained. 3. The use of a reduced-gradient form of the basis for the null space of the working set. This choice of basis is more practical than an orthogonal null-space basis for large-scale problems. The continuity condition for this choice is proven. 4. The use of incomplete solutions of quadratic programming subproblems. Certain iterates generated by an active-set method for the QP subproblem are used in place of the QP minimizer to define the search direction for the nonlinear problem. An implementation of the new algorithm has been obtained by modifying the code MINOS. Results and comparisons with MINOS and NPSOL are given for the new algorithm on a set of 92 test problems.

  18. Ethics of large-scale change

    OpenAIRE

    Arler, Finn

    2006-01-01

      The subject of this paper is long-term large-scale changes in human society. Some very significant examples of large-scale change are presented: human population growth, human appropriation of land and primary production, the human use of fossil fuels, and climate change. The question is posed, which kind of attitude is appropriate when dealing with large-scale changes like these from an ethical point of view. Three kinds of approaches are discussed: Aldo Leopold's mountain thinking, th...

  19. Sensitivity technologies for large scale simulation

    International Nuclear Information System (INIS)

    Collis, Samuel Scott; Bartlett, Roscoe Ainsworth; Smith, Thomas Michael; Heinkenschloss, Matthias; Wilcox, Lucas C.; Hill, Judith C.; Ghattas, Omar; Berggren, Martin Olof; Akcelik, Volkan; Ober, Curtis Curry; van Bloemen Waanders, Bart Gustaaf; Keiter, Eric Richard

    2005-01-01

    Sensitivity analysis is critically important to numerous analysis algorithms, including large scale optimization, uncertainty quantification,reduced order modeling, and error estimation. Our research focused on developing tools, algorithms and standard interfaces to facilitate the implementation of sensitivity type analysis into existing code and equally important, the work was focused on ways to increase the visibility of sensitivity analysis. We attempt to accomplish the first objective through the development of hybrid automatic differentiation tools, standard linear algebra interfaces for numerical algorithms, time domain decomposition algorithms and two level Newton methods. We attempt to accomplish the second goal by presenting the results of several case studies in which direct sensitivities and adjoint methods have been effectively applied, in addition to an investigation of h-p adaptivity using adjoint based a posteriori error estimation. A mathematical overview is provided of direct sensitivities and adjoint methods for both steady state and transient simulations. Two case studies are presented to demonstrate the utility of these methods. A direct sensitivity method is implemented to solve a source inversion problem for steady state internal flows subject to convection diffusion. Real time performance is achieved using novel decomposition into offline and online calculations. Adjoint methods are used to reconstruct initial conditions of a contamination event in an external flow. We demonstrate an adjoint based transient solution. In addition, we investigated time domain decomposition algorithms in an attempt to improve the efficiency of transient simulations. Because derivative calculations are at the root of sensitivity calculations, we have developed hybrid automatic differentiation methods and implemented this approach for shape optimization for gas dynamics using the Euler equations. The hybrid automatic differentiation method was applied to a first

  20. Large Scale Computations in Air Pollution Modelling

    DEFF Research Database (Denmark)

    Zlatev, Z.; Brandt, J.; Builtjes, P. J. H.

    Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998......Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998...

  1. Automating large-scale reactor systems

    International Nuclear Information System (INIS)

    Kisner, R.A.

    1985-01-01

    This paper conveys a philosophy for developing automated large-scale control systems that behave in an integrated, intelligent, flexible manner. Methods for operating large-scale systems under varying degrees of equipment degradation are discussed, and a design approach that separates the effort into phases is suggested. 5 refs., 1 fig

  2. Image-based Exploration of Large-Scale Pathline Fields

    KAUST Repository

    Nagoor, Omniah H.

    2014-01-01

    structure in which each pixel contains a list of pathlines segments. With this view-dependent method it is possible to filter, color-code and explore large-scale flow data in real-time. In addition, optimization techniques such as early-ray termination

  3. Newton Methods for Large Scale Problems in Machine Learning

    Science.gov (United States)

    Hansen, Samantha Leigh

    2014-01-01

    The focus of this thesis is on practical ways of designing optimization algorithms for minimizing large-scale nonlinear functions with applications in machine learning. Chapter 1 introduces the overarching ideas in the thesis. Chapters 2 and 3 are geared towards supervised machine learning applications that involve minimizing a sum of loss…

  4. Assessment of climate change impacts on rainfall using large scale ...

    Indian Academy of Sciences (India)

    Many of the applied techniques in water resources management can be directly or indirectly influenced by ... is based on large scale climate signals data around the world. In order ... predictand relationships are often very complex. .... constraints to solve the optimization problem. ..... social, and environmental sustainability.

  5. Large scale network-centric distributed systems

    CERN Document Server

    Sarbazi-Azad, Hamid

    2014-01-01

    A highly accessible reference offering a broad range of topics and insights on large scale network-centric distributed systems Evolving from the fields of high-performance computing and networking, large scale network-centric distributed systems continues to grow as one of the most important topics in computing and communication and many interdisciplinary areas. Dealing with both wired and wireless networks, this book focuses on the design and performance issues of such systems. Large Scale Network-Centric Distributed Systems provides in-depth coverage ranging from ground-level hardware issu

  6. Large-scale networks in engineering and life sciences

    CERN Document Server

    Findeisen, Rolf; Flockerzi, Dietrich; Reichl, Udo; Sundmacher, Kai

    2014-01-01

    This edited volume provides insights into and tools for the modeling, analysis, optimization, and control of large-scale networks in the life sciences and in engineering. Large-scale systems are often the result of networked interactions between a large number of subsystems, and their analysis and control are becoming increasingly important. The chapters of this book present the basic concepts and theoretical foundations of network theory and discuss its applications in different scientific areas such as biochemical reactions, chemical production processes, systems biology, electrical circuits, and mobile agents. The aim is to identify common concepts, to understand the underlying mathematical ideas, and to inspire discussions across the borders of the various disciplines.  The book originates from the interdisciplinary summer school “Large Scale Networks in Engineering and Life Sciences” hosted by the International Max Planck Research School Magdeburg, September 26-30, 2011, and will therefore be of int...

  7. Large-scale numerical simulations of plasmas

    International Nuclear Information System (INIS)

    Hamaguchi, Satoshi

    2004-01-01

    The recent trend of large scales simulations of fusion plasma and processing plasmas is briefly summarized. Many advanced simulation techniques have been developed for fusion plasmas and some of these techniques are now applied to analyses of processing plasmas. (author)

  8. Superconducting materials for large scale applications

    International Nuclear Information System (INIS)

    Dew-Hughes, D.

    1975-01-01

    Applications of superconductors capable of carrying large current densities in large-scale electrical devices are examined. Discussions are included on critical current density, superconducting materials available, and future prospects for improved superconducting materials. (JRD)

  9. Large-scale computing with Quantum Espresso

    International Nuclear Information System (INIS)

    Giannozzi, P.; Cavazzoni, C.

    2009-01-01

    This paper gives a short introduction to Quantum Espresso: a distribution of software for atomistic simulations in condensed-matter physics, chemical physics, materials science, and to its usage in large-scale parallel computing.

  10. Large-scale regions of antimatter

    International Nuclear Information System (INIS)

    Grobov, A. V.; Rubin, S. G.

    2015-01-01

    Amodified mechanism of the formation of large-scale antimatter regions is proposed. Antimatter appears owing to fluctuations of a complex scalar field that carries a baryon charge in the inflation era

  11. Large-scale regions of antimatter

    Energy Technology Data Exchange (ETDEWEB)

    Grobov, A. V., E-mail: alexey.grobov@gmail.com; Rubin, S. G., E-mail: sgrubin@mephi.ru [National Research Nuclear University MEPhI (Russian Federation)

    2015-07-15

    Amodified mechanism of the formation of large-scale antimatter regions is proposed. Antimatter appears owing to fluctuations of a complex scalar field that carries a baryon charge in the inflation era.

  12. Large-scale grid management; Storskala Nettforvaltning

    Energy Technology Data Exchange (ETDEWEB)

    Langdal, Bjoern Inge; Eggen, Arnt Ove

    2003-07-01

    The network companies in the Norwegian electricity industry now have to establish a large-scale network management, a concept essentially characterized by (1) broader focus (Broad Band, Multi Utility,...) and (2) bigger units with large networks and more customers. Research done by SINTEF Energy Research shows so far that the approaches within large-scale network management may be structured according to three main challenges: centralization, decentralization and out sourcing. The article is part of a planned series.

  13. Political consultation and large-scale research

    International Nuclear Information System (INIS)

    Bechmann, G.; Folkers, H.

    1977-01-01

    Large-scale research and policy consulting have an intermediary position between sociological sub-systems. While large-scale research coordinates science, policy, and production, policy consulting coordinates science, policy and political spheres. In this very position, large-scale research and policy consulting lack of institutional guarantees and rational back-ground guarantee which are characteristic for their sociological environment. This large-scale research can neither deal with the production of innovative goods under consideration of rentability, nor can it hope for full recognition by the basis-oriented scientific community. Policy consulting knows neither the competence assignment of the political system to make decisions nor can it judge succesfully by the critical standards of the established social science, at least as far as the present situation is concerned. This intermediary position of large-scale research and policy consulting has, in three points, a consequence supporting the thesis which states that this is a new form of institutionalization of science: These are: 1) external control, 2) the organization form, 3) the theoretical conception of large-scale research and policy consulting. (orig.) [de

  14. Large-scale exploration and analysis of drug combinations.

    Science.gov (United States)

    Li, Peng; Huang, Chao; Fu, Yingxue; Wang, Jinan; Wu, Ziyin; Ru, Jinlong; Zheng, Chunli; Guo, Zihu; Chen, Xuetong; Zhou, Wei; Zhang, Wenjuan; Li, Yan; Chen, Jianxin; Lu, Aiping; Wang, Yonghua

    2015-06-15

    Drug combinations are a promising strategy for combating complex diseases by improving the efficacy and reducing corresponding side effects. Currently, a widely studied problem in pharmacology is to predict effective drug combinations, either through empirically screening in clinic or pure experimental trials. However, the large-scale prediction of drug combination by a systems method is rarely considered. We report a systems pharmacology framework to predict drug combinations (PreDCs) on a computational model, termed probability ensemble approach (PEA), for analysis of both the efficacy and adverse effects of drug combinations. First, a Bayesian network integrating with a similarity algorithm is developed to model the combinations from drug molecular and pharmacological phenotypes, and the predictions are then assessed with both clinical efficacy and adverse effects. It is illustrated that PEA can predict the combination efficacy of drugs spanning different therapeutic classes with high specificity and sensitivity (AUC = 0.90), which was further validated by independent data or new experimental assays. PEA also evaluates the adverse effects (AUC = 0.95) quantitatively and detects the therapeutic indications for drug combinations. Finally, the PreDC database includes 1571 known and 3269 predicted optimal combinations as well as their potential side effects and therapeutic indications. The PreDC database is available at http://sm.nwsuaf.edu.cn/lsp/predc.php. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  15. VESPA: Very large-scale Evolutionary and Selective Pressure Analyses

    Directory of Open Access Journals (Sweden)

    Andrew E. Webb

    2017-06-01

    Full Text Available Background Large-scale molecular evolutionary analyses of protein coding sequences requires a number of preparatory inter-related steps from finding gene families, to generating alignments and phylogenetic trees and assessing selective pressure variation. Each phase of these analyses can represent significant challenges, particularly when working with entire proteomes (all protein coding sequences in a genome from a large number of species. Methods We present VESPA, software capable of automating a selective pressure analysis using codeML in addition to the preparatory analyses and summary statistics. VESPA is written in python and Perl and is designed to run within a UNIX environment. Results We have benchmarked VESPA and our results show that the method is consistent, performs well on both large scale and smaller scale datasets, and produces results in line with previously published datasets. Discussion Large-scale gene family identification, sequence alignment, and phylogeny reconstruction are all important aspects of large-scale molecular evolutionary analyses. VESPA provides flexible software for simplifying these processes along with downstream selective pressure variation analyses. The software automatically interprets results from codeML and produces simplified summary files to assist the user in better understanding the results. VESPA may be found at the following website: http://www.mol-evol.org/VESPA.

  16. Dissecting the large-scale galactic conformity

    Science.gov (United States)

    Seo, Seongu

    2018-01-01

    Galactic conformity is an observed phenomenon that galaxies located in the same region have similar properties such as star formation rate, color, gas fraction, and so on. The conformity was first observed among galaxies within in the same halos (“one-halo conformity”). The one-halo conformity can be readily explained by mutual interactions among galaxies within a halo. Recent observations however further witnessed a puzzling connection among galaxies with no direct interaction. In particular, galaxies located within a sphere of ~5 Mpc radius tend to show similarities, even though the galaxies do not share common halos with each other ("two-halo conformity" or “large-scale conformity”). Using a cosmological hydrodynamic simulation, Illustris, we investigate the physical origin of the two-halo conformity and put forward two scenarios. First, back-splash galaxies are likely responsible for the large-scale conformity. They have evolved into red galaxies due to ram-pressure stripping in a given galaxy cluster and happen to reside now within a ~5 Mpc sphere. Second, galaxies in strong tidal field induced by large-scale structure also seem to give rise to the large-scale conformity. The strong tides suppress star formation in the galaxies. We discuss the importance of the large-scale conformity in the context of galaxy evolution.

  17. Growth Limits in Large Scale Networks

    DEFF Research Database (Denmark)

    Knudsen, Thomas Phillip

    limitations. The rising complexity of network management with the convergence of communications platforms is shown as problematic for both automatic management feasibility and for manpower resource management. In the fourth step the scope is extended to include the present society with the DDN project as its......The Subject of large scale networks is approached from the perspective of the network planner. An analysis of the long term planning problems is presented with the main focus on the changing requirements for large scale networks and the potential problems in meeting these requirements. The problems...... the fundamental technological resources in network technologies are analysed for scalability. Here several technological limits to continued growth are presented. The third step involves a survey of major problems in managing large scale networks given the growth of user requirements and the technological...

  18. Managing large-scale models: DBS

    International Nuclear Information System (INIS)

    1981-05-01

    A set of fundamental management tools for developing and operating a large scale model and data base system is presented. Based on experience in operating and developing a large scale computerized system, the only reasonable way to gain strong management control of such a system is to implement appropriate controls and procedures. Chapter I discusses the purpose of the book. Chapter II classifies a broad range of generic management problems into three groups: documentation, operations, and maintenance. First, system problems are identified then solutions for gaining management control are disucssed. Chapters III, IV, and V present practical methods for dealing with these problems. These methods were developed for managing SEAS but have general application for large scale models and data bases

  19. Accelerating sustainability in large-scale facilities

    CERN Multimedia

    Marina Giampietro

    2011-01-01

    Scientific research centres and large-scale facilities are intrinsically energy intensive, but how can big science improve its energy management and eventually contribute to the environmental cause with new cleantech? CERN’s commitment to providing tangible answers to these questions was sealed in the first workshop on energy management for large scale scientific infrastructures held in Lund, Sweden, on the 13-14 October.   Participants at the energy management for large scale scientific infrastructures workshop. The workshop, co-organised with the European Spallation Source (ESS) and  the European Association of National Research Facilities (ERF), tackled a recognised need for addressing energy issues in relation with science and technology policies. It brought together more than 150 representatives of Research Infrastrutures (RIs) and energy experts from Europe and North America. “Without compromising our scientific projects, we can ...

  20. Large-Scale Analysis of Art Proportions

    DEFF Research Database (Denmark)

    Jensen, Karl Kristoffer

    2014-01-01

    While literature often tries to impute mathematical constants into art, this large-scale study (11 databases of paintings and photos, around 200.000 items) shows a different truth. The analysis, consisting of the width/height proportions, shows a value of rarely if ever one (square) and with majo......While literature often tries to impute mathematical constants into art, this large-scale study (11 databases of paintings and photos, around 200.000 items) shows a different truth. The analysis, consisting of the width/height proportions, shows a value of rarely if ever one (square...

  1. The Expanded Large Scale Gap Test

    Science.gov (United States)

    1987-03-01

    NSWC TR 86-32 DTIC THE EXPANDED LARGE SCALE GAP TEST BY T. P. LIDDIARD D. PRICE RESEARCH AND TECHNOLOGY DEPARTMENT ’ ~MARCH 1987 Ap~proved for public...arises, to reduce the spread in the LSGT 50% gap value.) The worst charges, such as those with the highest or lowest densities, the largest re-pressed...Arlington, VA 22217 PE 62314N INS3A 1 RJ14E31 7R4TBK 11 TITLE (Include Security CIlmsilficatiorn The Expanded Large Scale Gap Test . 12. PEIRSONAL AUTHOR() T

  2. Generation Expansion Planning Considering Integrating Large-scale Wind Generation

    DEFF Research Database (Denmark)

    Zhang, Chunyu; Ding, Yi; Østergaard, Jacob

    2013-01-01

    necessitated the inclusion of more innovative and sophisticated approaches in power system investment planning. A bi-level generation expansion planning approach considering large-scale wind generation was proposed in this paper. The first phase is investment decision, while the second phase is production...... optimization decision. A multi-objective PSO (MOPSO) algorithm was introduced to solve this optimization problem, which can accelerate the convergence and guarantee the diversity of Pareto-optimal front set as well. The feasibility and effectiveness of the proposed bi-level planning approach and the MOPSO...

  3. Optimized theory for simple and molecular fluids.

    Science.gov (United States)

    Marucho, M; Montgomery Pettitt, B

    2007-03-28

    An optimized closure approximation for both simple and molecular fluids is presented. A smooth interpolation between Perkus-Yevick and hypernetted chain closures is optimized by minimizing the free energy self-consistently with respect to the interpolation parameter(s). The molecular version is derived from a refinement of the method for simple fluids. In doing so, a method is proposed which appropriately couples an optimized closure with the variant of the diagrammatically proper integral equation recently introduced by this laboratory [K. M. Dyer et al., J. Chem. Phys. 123, 204512 (2005)]. The simplicity of the expressions involved in this proposed theory has allowed the authors to obtain an analytic expression for the approximate excess chemical potential. This is shown to be an efficient tool to estimate, from first principles, the numerical value of the interpolation parameters defining the aforementioned closure. As a preliminary test, representative models for simple fluids and homonuclear diatomic Lennard-Jones fluids were analyzed, obtaining site-site correlation functions in excellent agreement with simulation data.

  4. Configuration management in large scale infrastructure development

    NARCIS (Netherlands)

    Rijn, T.P.J. van; Belt, H. van de; Los, R.H.

    2000-01-01

    Large Scale Infrastructure (LSI) development projects such as the construction of roads, rail-ways and other civil engineering (water)works is tendered differently today than a decade ago. Traditional workflow requested quotes from construction companies for construction works where the works to be

  5. Large-scale Motion of Solar Filaments

    Indian Academy of Sciences (India)

    tribpo

    Large-scale Motion of Solar Filaments. Pavel Ambrož, Astronomical Institute of the Acad. Sci. of the Czech Republic, CZ-25165. Ondrejov, The Czech Republic. e-mail: pambroz@asu.cas.cz. Alfred Schroll, Kanzelhöehe Solar Observatory of the University of Graz, A-9521 Treffen,. Austria. e-mail: schroll@solobskh.ac.at.

  6. Sensitivity analysis for large-scale problems

    Science.gov (United States)

    Noor, Ahmed K.; Whitworth, Sandra L.

    1987-01-01

    The development of efficient techniques for calculating sensitivity derivatives is studied. The objective is to present a computational procedure for calculating sensitivity derivatives as part of performing structural reanalysis for large-scale problems. The scope is limited to framed type structures. Both linear static analysis and free-vibration eigenvalue problems are considered.

  7. Ethics of large-scale change

    DEFF Research Database (Denmark)

    Arler, Finn

    2006-01-01

    , which kind of attitude is appropriate when dealing with large-scale changes like these from an ethical point of view. Three kinds of approaches are discussed: Aldo Leopold's mountain thinking, the neoclassical economists' approach, and finally the so-called Concentric Circle Theories approach...

  8. The origin of large scale cosmic structure

    International Nuclear Information System (INIS)

    Jones, B.J.T.; Palmer, P.L.

    1985-01-01

    The paper concerns the origin of large scale cosmic structure. The evolution of density perturbations, the nonlinear regime (Zel'dovich's solution and others), the Gott and Rees clustering hierarchy, the spectrum of condensations, and biassed galaxy formation, are all discussed. (UK)

  9. Large-scale multimedia modeling applications

    International Nuclear Information System (INIS)

    Droppo, J.G. Jr.; Buck, J.W.; Whelan, G.; Strenge, D.L.; Castleton, K.J.; Gelston, G.M.

    1995-08-01

    Over the past decade, the US Department of Energy (DOE) and other agencies have faced increasing scrutiny for a wide range of environmental issues related to past and current practices. A number of large-scale applications have been undertaken that required analysis of large numbers of potential environmental issues over a wide range of environmental conditions and contaminants. Several of these applications, referred to here as large-scale applications, have addressed long-term public health risks using a holistic approach for assessing impacts from potential waterborne and airborne transport pathways. Multimedia models such as the Multimedia Environmental Pollutant Assessment System (MEPAS) were designed for use in such applications. MEPAS integrates radioactive and hazardous contaminants impact computations for major exposure routes via air, surface water, ground water, and overland flow transport. A number of large-scale applications of MEPAS have been conducted to assess various endpoints for environmental and human health impacts. These applications are described in terms of lessons learned in the development of an effective approach for large-scale applications

  10. Large-scale perspective as a challenge

    NARCIS (Netherlands)

    Plomp, M.G.A.

    2012-01-01

    1. Scale forms a challenge for chain researchers: when exactly is something ‘large-scale’? What are the underlying factors (e.g. number of parties, data, objects in the chain, complexity) that determine this? It appears to be a continuum between small- and large-scale, where positioning on that

  11. Computing in Large-Scale Dynamic Systems

    NARCIS (Netherlands)

    Pruteanu, A.S.

    2013-01-01

    Software applications developed for large-scale systems have always been difficult to de- velop due to problems caused by the large number of computing devices involved. Above a certain network size (roughly one hundred), necessary services such as code updating, topol- ogy discovery and data

  12. Learning from large scale neural simulations

    DEFF Research Database (Denmark)

    Serban, Maria

    2017-01-01

    Large-scale neural simulations have the marks of a distinct methodology which can be fruitfully deployed to advance scientific understanding of the human brain. Computer simulation studies can be used to produce surrogate observational data for better conceptual models and new how...

  13. Large-Scale Outflows in Seyfert Galaxies

    Science.gov (United States)

    Colbert, E. J. M.; Baum, S. A.

    1995-12-01

    \\catcode`\\@=11 \\ialign{m @th#1hfil ##hfil \\crcr#2\\crcr\\sim\\crcr}}} \\catcode`\\@=12 Highly collimated outflows extend out to Mpc scales in many radio-loud active galaxies. In Seyfert galaxies, which are radio-quiet, the outflows extend out to kpc scales and do not appear to be as highly collimated. In order to study the nature of large-scale (>~1 kpc) outflows in Seyferts, we have conducted optical, radio and X-ray surveys of a distance-limited sample of 22 edge-on Seyfert galaxies. Results of the optical emission-line imaging and spectroscopic survey imply that large-scale outflows are present in >~{{1} /{4}} of all Seyferts. The radio (VLA) and X-ray (ROSAT) surveys show that large-scale radio and X-ray emission is present at about the same frequency. Kinetic luminosities of the outflows in Seyferts are comparable to those in starburst-driven superwinds. Large-scale radio sources in Seyferts appear diffuse, but do not resemble radio halos found in some edge-on starburst galaxies (e.g. M82). We discuss the feasibility of the outflows being powered by the active nucleus (e.g. a jet) or a circumnuclear starburst.

  14. Stability of large scale interconnected dynamical systems

    International Nuclear Information System (INIS)

    Akpan, E.P.

    1993-07-01

    Large scale systems modelled by a system of ordinary differential equations are considered and necessary and sufficient conditions are obtained for the uniform asymptotic connective stability of the systems using the method of cone-valued Lyapunov functions. It is shown that this model significantly improves the existing models. (author). 9 refs

  15. Optimal separable bases and molecular collisions

    International Nuclear Information System (INIS)

    Poirier, L.W.

    1997-12-01

    A new methodology is proposed for the efficient determination of Green's functions and eigenstates for quantum systems of two or more dimensions. For a given Hamiltonian, the best possible separable approximation is obtained from the set of all Hilbert space operators. It is shown that this determination itself, as well as the solution of the resultant approximation, are problems of reduced dimensionality for most systems of physical interest. Moreover, the approximate eigenstates constitute the optimal separable basis, in the sense of self-consistent field theory. These distorted waves give rise to a Born series with optimized convergence properties. Analytical results are presented for an application of the method to the two-dimensional shifted harmonic oscillator system. The primary interest however, is quantum reactive scattering in molecular systems. For numerical calculations, the use of distorted waves corresponds to numerical preconditioning. The new methodology therefore gives rise to an optimized preconditioning scheme for the efficient calculation of reactive and inelastic scattering amplitudes, especially at intermediate energies. This scheme is particularly suited to discrete variable representations (DVR's) and iterative sparse matrix methods commonly employed in such calculations. State to state and cumulative reactive scattering results obtained via the optimized preconditioner are presented for the two-dimensional collinear H + H 2 → H 2 + H system. Computational time and memory requirements for this system are drastically reduced in comparison with other methods, and results are obtained for previously prohibitive energy regimes

  16. Atomistic mechanism of graphene growth on a SiC substrate: Large-scale molecular dynamics simulations based on a new charge-transfer bond-order type potential

    Science.gov (United States)

    Takamoto, So; Yamasaki, Takahiro; Nara, Jun; Ohno, Takahisa; Kaneta, Chioko; Hatano, Asuka; Izumi, Satoshi

    2018-03-01

    Thermal decomposition of silicon carbide is a promising approach for the fabrication of graphene. However, the atomistic growth mechanism of graphene remains unclear. This paper describes the development of a new charge-transfer interatomic potential. Carbon bonds with a wide variety of characteristics can be reproduced by the proposed vectorized bond-order term. A large-scale thermal decomposition simulation enables us to observe the continuous growth process of the multiring carbon structure. The annealing simulation reveals the atomistic process by which the multiring carbon structure is transformed to flat graphene involving only six-membered rings. Also, it is found that the surface atoms of the silicon carbide substrate enhance the homogeneous graphene formation.

  17. Large-scale structure of the Universe

    International Nuclear Information System (INIS)

    Doroshkevich, A.G.

    1978-01-01

    The problems, discussed at the ''Large-scale Structure of the Universe'' symposium are considered on a popular level. Described are the cell structure of galaxy distribution in the Universe, principles of mathematical galaxy distribution modelling. The images of cell structures, obtained after reprocessing with the computer are given. Discussed are three hypothesis - vortical, entropic, adiabatic, suggesting various processes of galaxy and galaxy clusters origin. A considerable advantage of the adiabatic hypothesis is recognized. The relict radiation, as a method of direct studying the processes taking place in the Universe is considered. The large-scale peculiarities and small-scale fluctuations of the relict radiation temperature enable one to estimate the turbance properties at the pre-galaxy stage. The discussion of problems, pertaining to studying the hot gas, contained in galaxy clusters, the interactions within galaxy clusters and with the inter-galaxy medium, is recognized to be a notable contribution into the development of theoretical and observational cosmology

  18. Emerging large-scale solar heating applications

    International Nuclear Information System (INIS)

    Wong, W.P.; McClung, J.L.

    2009-01-01

    Currently the market for solar heating applications in Canada is dominated by outdoor swimming pool heating, make-up air pre-heating and domestic water heating in homes, commercial and institutional buildings. All of these involve relatively small systems, except for a few air pre-heating systems on very large buildings. Together these applications make up well over 90% of the solar thermal collectors installed in Canada during 2007. These three applications, along with the recent re-emergence of large-scale concentrated solar thermal for generating electricity, also dominate the world markets. This paper examines some emerging markets for large scale solar heating applications, with a focus on the Canadian climate and market. (author)

  19. Emerging large-scale solar heating applications

    Energy Technology Data Exchange (ETDEWEB)

    Wong, W.P.; McClung, J.L. [Science Applications International Corporation (SAIC Canada), Ottawa, Ontario (Canada)

    2009-07-01

    Currently the market for solar heating applications in Canada is dominated by outdoor swimming pool heating, make-up air pre-heating and domestic water heating in homes, commercial and institutional buildings. All of these involve relatively small systems, except for a few air pre-heating systems on very large buildings. Together these applications make up well over 90% of the solar thermal collectors installed in Canada during 2007. These three applications, along with the recent re-emergence of large-scale concentrated solar thermal for generating electricity, also dominate the world markets. This paper examines some emerging markets for large scale solar heating applications, with a focus on the Canadian climate and market. (author)

  20. Image-based Exploration of Large-Scale Pathline Fields

    KAUST Repository

    Nagoor, Omniah H.

    2014-05-27

    While real-time applications are nowadays routinely used in visualizing large nu- merical simulations and volumes, handling these large-scale datasets requires high-end graphics clusters or supercomputers to process and visualize them. However, not all users have access to powerful clusters. Therefore, it is challenging to come up with a visualization approach that provides insight to large-scale datasets on a single com- puter. Explorable images (EI) is one of the methods that allows users to handle large data on a single workstation. Although it is a view-dependent method, it combines both exploration and modification of visual aspects without re-accessing the original huge data. In this thesis, we propose a novel image-based method that applies the concept of EI in visualizing large flow-field pathlines data. The goal of our work is to provide an optimized image-based method, which scales well with the dataset size. Our approach is based on constructing a per-pixel linked list data structure in which each pixel contains a list of pathlines segments. With this view-dependent method it is possible to filter, color-code and explore large-scale flow data in real-time. In addition, optimization techniques such as early-ray termination and deferred shading are applied, which further improves the performance and scalability of our approach.

  1. Challenges for Large Scale Structure Theory

    CERN Multimedia

    CERN. Geneva

    2018-01-01

    I will describe some of the outstanding questions in Cosmology where answers could be provided by observations of the Large Scale Structure of the Universe at late times.I will discuss some of the theoretical challenges which will have to be overcome to extract this information from the observations. I will describe some of the theoretical tools that might be useful to achieve this goal. 

  2. Large scale inhomogeneities and the cosmological principle

    International Nuclear Information System (INIS)

    Lukacs, B.; Meszaros, A.

    1984-12-01

    The compatibility of cosmologic principles and possible large scale inhomogeneities of the Universe is discussed. It seems that the strongest symmetry principle which is still compatible with reasonable inhomogeneities, is a full conformal symmetry in the 3-space defined by the cosmological velocity field, but even in such a case, the standard model is isolated from the inhomogeneous ones when the whole evolution is considered. (author)

  3. Fires in large scale ventilation systems

    International Nuclear Information System (INIS)

    Gregory, W.S.; Martin, R.A.; White, B.W.; Nichols, B.D.; Smith, P.R.; Leslie, I.H.; Fenton, D.L.; Gunaji, M.V.; Blythe, J.P.

    1991-01-01

    This paper summarizes the experience gained simulating fires in large scale ventilation systems patterned after ventilation systems found in nuclear fuel cycle facilities. The series of experiments discussed included: (1) combustion aerosol loading of 0.61x0.61 m HEPA filters with the combustion products of two organic fuels, polystyrene and polymethylemethacrylate; (2) gas dynamic and heat transport through a large scale ventilation system consisting of a 0.61x0.61 m duct 90 m in length, with dampers, HEPA filters, blowers, etc.; (3) gas dynamic and simultaneous transport of heat and solid particulate (consisting of glass beads with a mean aerodynamic diameter of 10μ) through the large scale ventilation system; and (4) the transport of heat and soot, generated by kerosene pool fires, through the large scale ventilation system. The FIRAC computer code, designed to predict fire-induced transients in nuclear fuel cycle facility ventilation systems, was used to predict the results of experiments (2) through (4). In general, the results of the predictions were satisfactory. The code predictions for the gas dynamics, heat transport, and particulate transport and deposition were within 10% of the experimentally measured values. However, the code was less successful in predicting the amount of soot generation from kerosene pool fires, probably due to the fire module of the code being a one-dimensional zone model. The experiments revealed a complicated three-dimensional combustion pattern within the fire room of the ventilation system. Further refinement of the fire module within FIRAC is needed. (orig.)

  4. Large-scale Complex IT Systems

    OpenAIRE

    Sommerville, Ian; Cliff, Dave; Calinescu, Radu; Keen, Justin; Kelly, Tim; Kwiatkowska, Marta; McDermid, John; Paige, Richard

    2011-01-01

    This paper explores the issues around the construction of large-scale complex systems which are built as 'systems of systems' and suggests that there are fundamental reasons, derived from the inherent complexity in these systems, why our current software engineering methods and techniques cannot be scaled up to cope with the engineering challenges of constructing such systems. It then goes on to propose a research and education agenda for software engineering that identifies the major challen...

  5. Large-scale complex IT systems

    OpenAIRE

    Sommerville, Ian; Cliff, Dave; Calinescu, Radu; Keen, Justin; Kelly, Tim; Kwiatkowska, Marta; McDermid, John; Paige, Richard

    2012-01-01

    12 pages, 2 figures This paper explores the issues around the construction of large-scale complex systems which are built as 'systems of systems' and suggests that there are fundamental reasons, derived from the inherent complexity in these systems, why our current software engineering methods and techniques cannot be scaled up to cope with the engineering challenges of constructing such systems. It then goes on to propose a research and education agenda for software engineering that ident...

  6. LAVA: Large scale Automated Vulnerability Addition

    Science.gov (United States)

    2016-05-23

    LAVA: Large-scale Automated Vulnerability Addition Brendan Dolan -Gavitt∗, Patrick Hulin†, Tim Leek†, Fredrich Ulrich†, Ryan Whelan† (Authors listed...released, and thus rapidly become stale. We can expect tools to have been trained to detect bugs that have been released. Given the commercial price tag...low TCN) and dead (low liveness) program data is a powerful one for vulnera- bility injection. The DUAs it identifies are internal program quantities

  7. Large-Scale Transit Signal Priority Implementation

    OpenAIRE

    Lee, Kevin S.; Lozner, Bailey

    2018-01-01

    In 2016, the District Department of Transportation (DDOT) deployed Transit Signal Priority (TSP) at 195 intersections in highly urbanized areas of Washington, DC. In collaboration with a broader regional implementation, and in partnership with the Washington Metropolitan Area Transit Authority (WMATA), DDOT set out to apply a systems engineering–driven process to identify, design, test, and accept a large-scale TSP system. This presentation will highlight project successes and lessons learned.

  8. Decentralised stabilising controllers for a class of large-scale linear ...

    Indian Academy of Sciences (India)

    subsystems resulting from a new aggregation-decomposition technique. The method has been illustrated through a numerical example of a large-scale linear system consisting of three subsystems each of the fourth order. Keywords. Decentralised stabilisation; large-scale linear systems; optimal feedback control; algebraic ...

  9. The Software Reliability of Large Scale Integration Circuit and Very Large Scale Integration Circuit

    OpenAIRE

    Artem Ganiyev; Jan Vitasek

    2010-01-01

    This article describes evaluation method of faultless function of large scale integration circuits (LSI) and very large scale integration circuits (VLSI). In the article there is a comparative analysis of factors which determine faultless of integrated circuits, analysis of already existing methods and model of faultless function evaluation of LSI and VLSI. The main part describes a proposed algorithm and program for analysis of fault rate in LSI and VLSI circuits.

  10. RESTRUCTURING OF THE LARGE-SCALE SPRINKLERS

    Directory of Open Access Journals (Sweden)

    Paweł Kozaczyk

    2016-09-01

    Full Text Available One of the best ways for agriculture to become independent from shortages of precipitation is irrigation. In the seventies and eighties of the last century a number of large-scale sprinklers in Wielkopolska was built. At the end of 1970’s in the Poznan province 67 sprinklers with a total area of 6400 ha were installed. The average size of the sprinkler reached 95 ha. In 1989 there were 98 sprinklers, and the area which was armed with them was more than 10 130 ha. The study was conducted on 7 large sprinklers with the area ranging from 230 to 520 hectares in 1986÷1998. After the introduction of the market economy in the early 90’s and ownership changes in agriculture, large-scale sprinklers have gone under a significant or total devastation. Land on the State Farms of the State Agricultural Property Agency has leased or sold and the new owners used the existing sprinklers to a very small extent. This involved a change in crop structure, demand structure and an increase in operating costs. There has also been a threefold increase in electricity prices. Operation of large-scale irrigation encountered all kinds of barriers in practice and limitations of system solutions, supply difficulties, high levels of equipment failure which is not inclined to rational use of available sprinklers. An effect of a vision of the local area was to show the current status of the remaining irrigation infrastructure. The adopted scheme for the restructuring of Polish agriculture was not the best solution, causing massive destruction of assets previously invested in the sprinkler system.

  11. Optical interconnect for large-scale systems

    Science.gov (United States)

    Dress, William

    2013-02-01

    This paper presents a switchless, optical interconnect module that serves as a node in a network of identical distribution modules for large-scale systems. Thousands to millions of hosts or endpoints may be interconnected by a network of such modules, avoiding the need for multi-level switches. Several common network topologies are reviewed and their scaling properties assessed. The concept of message-flow routing is discussed in conjunction with the unique properties enabled by the optical distribution module where it is shown how top-down software control (global routing tables, spanning-tree algorithms) may be avoided.

  12. Adaptive visualization for large-scale graph

    International Nuclear Information System (INIS)

    Nakamura, Hiroko; Shinano, Yuji; Ohzahata, Satoshi

    2010-01-01

    We propose an adoptive visualization technique for representing a large-scale hierarchical dataset within limited display space. A hierarchical dataset has nodes and links showing the parent-child relationship between the nodes. These nodes and links are described using graphics primitives. When the number of these primitives is large, it is difficult to recognize the structure of the hierarchical data because many primitives are overlapped within a limited region. To overcome this difficulty, we propose an adaptive visualization technique for hierarchical datasets. The proposed technique selects an appropriate graph style according to the nodal density in each area. (author)

  13. Neutrinos and large-scale structure

    International Nuclear Information System (INIS)

    Eisenstein, Daniel J.

    2015-01-01

    I review the use of cosmological large-scale structure to measure properties of neutrinos and other relic populations of light relativistic particles. With experiments to measure the anisotropies of the cosmic microwave anisotropies and the clustering of matter at low redshift, we now have securely measured a relativistic background with density appropriate to the cosmic neutrino background. Our limits on the mass of the neutrino continue to shrink. Experiments coming in the next decade will greatly improve the available precision on searches for the energy density of novel relativistic backgrounds and the mass of neutrinos

  14. Puzzles of large scale structure and gravitation

    International Nuclear Information System (INIS)

    Sidharth, B.G.

    2006-01-01

    We consider the puzzle of cosmic voids bounded by two-dimensional structures of galactic clusters as also a puzzle pointed out by Weinberg: How can the mass of a typical elementary particle depend on a cosmic parameter like the Hubble constant? An answer to the first puzzle is proposed in terms of 'Scaled' Quantum Mechanical like behaviour which appears at large scales. The second puzzle can be answered by showing that the gravitational mass of an elementary particle has a Machian character (see Ahmed N. Cantorian small worked, Mach's principle and the universal mass network. Chaos, Solitons and Fractals 2004;21(4))

  15. Neutrinos and large-scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Eisenstein, Daniel J. [Daniel J. Eisenstein, Harvard-Smithsonian Center for Astrophysics, 60 Garden St., MS #20, Cambridge, MA 02138 (United States)

    2015-07-15

    I review the use of cosmological large-scale structure to measure properties of neutrinos and other relic populations of light relativistic particles. With experiments to measure the anisotropies of the cosmic microwave anisotropies and the clustering of matter at low redshift, we now have securely measured a relativistic background with density appropriate to the cosmic neutrino background. Our limits on the mass of the neutrino continue to shrink. Experiments coming in the next decade will greatly improve the available precision on searches for the energy density of novel relativistic backgrounds and the mass of neutrinos.

  16. Concepts for Large Scale Hydrogen Production

    OpenAIRE

    Jakobsen, Daniel; Åtland, Vegar

    2016-01-01

    The objective of this thesis is to perform a techno-economic analysis of large-scale, carbon-lean hydrogen production in Norway, in order to evaluate various production methods and estimate a breakeven price level. Norway possesses vast energy resources and the export of oil and gas is vital to the country s economy. The results of this thesis indicate that hydrogen represents a viable, carbon-lean opportunity to utilize these resources, which can prove key in the future of Norwegian energy e...

  17. Stabilization Algorithms for Large-Scale Problems

    DEFF Research Database (Denmark)

    Jensen, Toke Koldborg

    2006-01-01

    The focus of the project is on stabilization of large-scale inverse problems where structured models and iterative algorithms are necessary for computing approximate solutions. For this purpose, we study various iterative Krylov methods and their abilities to produce regularized solutions. Some......-curve. This heuristic is implemented as a part of a larger algorithm which is developed in collaboration with G. Rodriguez and P. C. Hansen. Last, but not least, a large part of the project has, in different ways, revolved around the object-oriented Matlab toolbox MOORe Tools developed by PhD Michael Jacobsen. New...

  18. Large scale phononic metamaterials for seismic isolation

    International Nuclear Information System (INIS)

    Aravantinos-Zafiris, N.; Sigalas, M. M.

    2015-01-01

    In this work, we numerically examine structures that could be characterized as large scale phononic metamaterials. These novel structures could have band gaps in the frequency spectrum of seismic waves when their dimensions are chosen appropriately, thus raising the belief that they could be serious candidates for seismic isolation structures. Different and easy to fabricate structures were examined made from construction materials such as concrete and steel. The well-known finite difference time domain method is used in our calculations in order to calculate the band structures of the proposed metamaterials

  19. [A large-scale accident in Alpine terrain].

    Science.gov (United States)

    Wildner, M; Paal, P

    2015-02-01

    Due to the geographical conditions, large-scale accidents amounting to mass casualty incidents (MCI) in Alpine terrain regularly present rescue teams with huge challenges. Using an example incident, specific conditions and typical problems associated with such a situation are presented. The first rescue team members to arrive have the elementary tasks of qualified triage and communication to the control room, which is required to dispatch the necessary additional support. Only with a clear "concept", to which all have to adhere, can the subsequent chaos phase be limited. In this respect, a time factor confounded by adverse weather conditions or darkness represents enormous pressure. Additional hazards are frostbite and hypothermia. If priorities can be established in terms of urgency, then treatment and procedure algorithms have proven successful. For evacuation of causalities, a helicopter should be strived for. Due to the low density of hospitals in Alpine regions, it is often necessary to distribute the patients over a wide area. Rescue operations in Alpine terrain have to be performed according to the particular conditions and require rescue teams to have specific knowledge and expertise. The possibility of a large-scale accident should be considered when planning events. With respect to optimization of rescue measures, regular training and exercises are rational, as is the analysis of previous large-scale Alpine accidents.

  20. Dipolar modulation of Large-Scale Structure

    Science.gov (United States)

    Yoon, Mijin

    For the last two decades, we have seen a drastic development of modern cosmology based on various observations such as the cosmic microwave background (CMB), type Ia supernovae, and baryonic acoustic oscillations (BAO). These observational evidences have led us to a great deal of consensus on the cosmological model so-called LambdaCDM and tight constraints on cosmological parameters consisting the model. On the other hand, the advancement in cosmology relies on the cosmological principle: the universe is isotropic and homogeneous on large scales. Testing these fundamental assumptions is crucial and will soon become possible given the planned observations ahead. Dipolar modulation is the largest angular anisotropy of the sky, which is quantified by its direction and amplitude. We measured a huge dipolar modulation in CMB, which mainly originated from our solar system's motion relative to CMB rest frame. However, we have not yet acquired consistent measurements of dipolar modulations in large-scale structure (LSS), as they require large sky coverage and a number of well-identified objects. In this thesis, we explore measurement of dipolar modulation in number counts of LSS objects as a test of statistical isotropy. This thesis is based on two papers that were published in peer-reviewed journals. In Chapter 2 [Yoon et al., 2014], we measured a dipolar modulation in number counts of WISE matched with 2MASS sources. In Chapter 3 [Yoon & Huterer, 2015], we investigated requirements for detection of kinematic dipole in future surveys.

  1. Internationalization Measures in Large Scale Research Projects

    Science.gov (United States)

    Soeding, Emanuel; Smith, Nancy

    2017-04-01

    Internationalization measures in Large Scale Research Projects Large scale research projects (LSRP) often serve as flagships used by universities or research institutions to demonstrate their performance and capability to stakeholders and other interested parties. As the global competition among universities for the recruitment of the brightest brains has increased, effective internationalization measures have become hot topics for universities and LSRP alike. Nevertheless, most projects and universities are challenged with little experience on how to conduct these measures and make internationalization an cost efficient and useful activity. Furthermore, those undertakings permanently have to be justified with the Project PIs as important, valuable tools to improve the capacity of the project and the research location. There are a variety of measures, suited to support universities in international recruitment. These include e.g. institutional partnerships, research marketing, a welcome culture, support for science mobility and an effective alumni strategy. These activities, although often conducted by different university entities, are interlocked and can be very powerful measures if interfaced in an effective way. On this poster we display a number of internationalization measures for various target groups, identify interfaces between project management, university administration, researchers and international partners to work together, exchange information and improve processes in order to be able to recruit, support and keep the brightest heads to your project.

  2. Large scale integration of photovoltaics in cities

    International Nuclear Information System (INIS)

    Strzalka, Aneta; Alam, Nazmul; Duminil, Eric; Coors, Volker; Eicker, Ursula

    2012-01-01

    Highlights: ► We implement the photovoltaics on a large scale. ► We use three-dimensional modelling for accurate photovoltaic simulations. ► We consider the shadowing effect in the photovoltaic simulation. ► We validate the simulated results using detailed hourly measured data. - Abstract: For a large scale implementation of photovoltaics (PV) in the urban environment, building integration is a major issue. This includes installations on roof or facade surfaces with orientations that are not ideal for maximum energy production. To evaluate the performance of PV systems in urban settings and compare it with the building user’s electricity consumption, three-dimensional geometry modelling was combined with photovoltaic system simulations. As an example, the modern residential district of Scharnhauser Park (SHP) near Stuttgart/Germany was used to calculate the potential of photovoltaic energy and to evaluate the local own consumption of the energy produced. For most buildings of the district only annual electrical consumption data was available and only selected buildings have electronic metering equipment. The available roof area for one of these multi-family case study buildings was used for a detailed hourly simulation of the PV power production, which was then compared to the hourly measured electricity consumption. The results were extrapolated to all buildings of the analyzed area by normalizing them to the annual consumption data. The PV systems can produce 35% of the quarter’s total electricity consumption and half of this generated electricity is directly used within the buildings.

  3. Status: Large-scale subatmospheric cryogenic systems

    International Nuclear Information System (INIS)

    Peterson, T.

    1989-01-01

    In the late 1960's and early 1970's an interest in testing and operating RF cavities at 1.8K motivated the development and construction of four large (300 Watt) 1.8K refrigeration systems. in the past decade, development of successful superconducting RF cavities and interest in obtaining higher magnetic fields with the improved Niobium-Titanium superconductors has once again created interest in large-scale 1.8K refrigeration systems. The L'Air Liquide plant for Tore Supra is a recently commissioned 300 Watt 1.8K system which incorporates new technology, cold compressors, to obtain the low vapor pressure for low temperature cooling. CEBAF proposes to use cold compressors to obtain 5KW at 2.0K. Magnetic refrigerators of 10 Watt capacity or higher at 1.8K are now being developed. The state of the art of large-scale refrigeration in the range under 4K will be reviewed. 28 refs., 4 figs., 7 tabs

  4. Less is more: regularization perspectives on large scale machine learning

    CERN Multimedia

    CERN. Geneva

    2017-01-01

    Deep learning based techniques provide a possible solution at the expanse of theoretical guidance and, especially, of computational requirements. It is then a key challenge for large scale machine learning to devise approaches guaranteed to be accurate and yet computationally efficient. In this talk, we will consider a regularization perspectives on machine learning appealing to classical ideas in linear algebra and inverse problems to scale-up dramatically nonparametric methods such as kernel methods, often dismissed because of prohibitive costs. Our analysis derives optimal theoretical guarantees while providing experimental results at par or out-performing state of the art approaches.

  5. Radiations: large scale monitoring in Japan

    International Nuclear Information System (INIS)

    Linton, M.; Khalatbari, A.

    2011-01-01

    As the consequences of radioactive leaks on their health are a matter of concern for Japanese people, a large scale epidemiological study has been launched by the Fukushima medical university. It concerns the two millions inhabitants of the Fukushima Prefecture. On the national level and with the support of public funds, medical care and follow-up, as well as systematic controls are foreseen, notably to check the thyroid of 360.000 young people less than 18 year old and of 20.000 pregnant women in the Fukushima Prefecture. Some measurements have already been performed on young children. Despite the sometimes rather low measures, and because they know that some parts of the area are at least as much contaminated as it was the case around Chernobyl, some people are reluctant to go back home

  6. Large-scale digitizer system, analog converters

    International Nuclear Information System (INIS)

    Althaus, R.F.; Lee, K.L.; Kirsten, F.A.; Wagner, L.J.

    1976-10-01

    Analog to digital converter circuits that are based on the sharing of common resources, including those which are critical to the linearity and stability of the individual channels, are described. Simplicity of circuit composition is valued over other more costly approaches. These are intended to be applied in a large-scale processing and digitizing system for use with high-energy physics detectors such as drift-chambers or phototube-scintillator arrays. Signal distribution techniques are of paramount importance in maintaining adequate signal-to-noise ratio. Noise in both amplitude and time-jitter senses is held sufficiently low so that conversions with 10-bit charge resolution and 12-bit time resolution are achieved

  7. Engineering management of large scale systems

    Science.gov (United States)

    Sanders, Serita; Gill, Tepper L.; Paul, Arthur S.

    1989-01-01

    The organization of high technology and engineering problem solving, has given rise to an emerging concept. Reasoning principles for integrating traditional engineering problem solving with system theory, management sciences, behavioral decision theory, and planning and design approaches can be incorporated into a methodological approach to solving problems with a long range perspective. Long range planning has a great potential to improve productivity by using a systematic and organized approach. Thus, efficiency and cost effectiveness are the driving forces in promoting the organization of engineering problems. Aspects of systems engineering that provide an understanding of management of large scale systems are broadly covered here. Due to the focus and application of research, other significant factors (e.g., human behavior, decision making, etc.) are not emphasized but are considered.

  8. Large - scale Rectangular Ruler Automated Verification Device

    Science.gov (United States)

    Chen, Hao; Chang, Luping; Xing, Minjian; Xie, Xie

    2018-03-01

    This paper introduces a large-scale rectangular ruler automated verification device, which consists of photoelectric autocollimator and self-designed mechanical drive car and data automatic acquisition system. The design of mechanical structure part of the device refer to optical axis design, drive part, fixture device and wheel design. The design of control system of the device refer to hardware design and software design, and the hardware mainly uses singlechip system, and the software design is the process of the photoelectric autocollimator and the automatic data acquisition process. This devices can automated achieve vertical measurement data. The reliability of the device is verified by experimental comparison. The conclusion meets the requirement of the right angle test procedure.

  9. Large Scale Landform Mapping Using Lidar DEM

    Directory of Open Access Journals (Sweden)

    Türkay Gökgöz

    2015-08-01

    Full Text Available In this study, LIDAR DEM data was used to obtain a primary landform map in accordance with a well-known methodology. This primary landform map was generalized using the Focal Statistics tool (Majority, considering the minimum area condition in cartographic generalization in order to obtain landform maps at 1:1000 and 1:5000 scales. Both the primary and the generalized landform maps were verified visually with hillshaded DEM and an orthophoto. As a result, these maps provide satisfactory visuals of the landforms. In order to show the effect of generalization, the area of each landform in both the primary and the generalized maps was computed. Consequently, landform maps at large scales could be obtained with the proposed methodology, including generalization using LIDAR DEM.

  10. Constructing sites on a large scale

    DEFF Research Database (Denmark)

    Braae, Ellen Marie; Tietjen, Anne

    2011-01-01

    Since the 1990s, the regional scale has regained importance in urban and landscape design. In parallel, the focus in design tasks has shifted from master plans for urban extension to strategic urban transformation projects. A prominent example of a contemporary spatial development approach...... for setting the design brief in a large scale urban landscape in Norway, the Jaeren region around the city of Stavanger. In this paper, we first outline the methodological challenges and then present and discuss the proposed method based on our teaching experiences. On this basis, we discuss aspects...... is the IBA Emscher Park in the Ruhr area in Germany. Over a 10 years period (1988-1998), more than a 100 local transformation projects contributed to the transformation from an industrial to a post-industrial region. The current paradigm of planning by projects reinforces the role of the design disciplines...

  11. Large scale study of tooth enamel

    International Nuclear Information System (INIS)

    Bodart, F.; Deconninck, G.; Martin, M.T.

    Human tooth enamel contains traces of foreign elements. The presence of these elements is related to the history and the environment of the human body and can be considered as the signature of perturbations which occur during the growth of a tooth. A map of the distribution of these traces on a large scale sample of the population will constitute a reference for further investigations of environmental effects. On hundred eighty samples of teeth were first analyzed using PIXE, backscattering and nuclear reaction techniques. The results were analyzed using statistical methods. Correlations between O, F, Na, P, Ca, Mn, Fe, Cu, Zn, Pb and Sr were observed and cluster analysis was in progress. The techniques described in the present work have been developed in order to establish a method for the exploration of very large samples of the Belgian population. (author)

  12. Testing Einstein's Gravity on Large Scales

    Science.gov (United States)

    Prescod-Weinstein, Chandra

    2011-01-01

    A little over a decade has passed since two teams studying high redshift Type Ia supernovae announced the discovery that the expansion of the universe was accelerating. After all this time, we?re still not sure how cosmic acceleration fits into the theory that tells us about the large-scale universe: General Relativity (GR). As part of our search for answers, we have been forced to question GR itself. But how will we test our ideas? We are fortunate enough to be entering the era of precision cosmology, where the standard model of gravity can be subjected to more rigorous testing. Various techniques will be employed over the next decade or two in the effort to better understand cosmic acceleration and the theory behind it. In this talk, I will describe cosmic acceleration, current proposals to explain it, and weak gravitational lensing, an observational effect that allows us to do the necessary precision cosmology.

  13. Large-Scale Astrophysical Visualization on Smartphones

    Science.gov (United States)

    Becciani, U.; Massimino, P.; Costa, A.; Gheller, C.; Grillo, A.; Krokos, M.; Petta, C.

    2011-07-01

    Nowadays digital sky surveys and long-duration, high-resolution numerical simulations using high performance computing and grid systems produce multidimensional astrophysical datasets in the order of several Petabytes. Sharing visualizations of such datasets within communities and collaborating research groups is of paramount importance for disseminating results and advancing astrophysical research. Moreover educational and public outreach programs can benefit greatly from novel ways of presenting these datasets by promoting understanding of complex astrophysical processes, e.g., formation of stars and galaxies. We have previously developed VisIVO Server, a grid-enabled platform for high-performance large-scale astrophysical visualization. This article reviews the latest developments on VisIVO Web, a custom designed web portal wrapped around VisIVO Server, then introduces VisIVO Smartphone, a gateway connecting VisIVO Web and data repositories for mobile astrophysical visualization. We discuss current work and summarize future developments.

  14. Robust large-scale parallel nonlinear solvers for simulations.

    Energy Technology Data Exchange (ETDEWEB)

    Bader, Brett William; Pawlowski, Roger Patrick; Kolda, Tamara Gibson (Sandia National Laboratories, Livermore, CA)

    2005-11-01

    This report documents research to develop robust and efficient solution techniques for solving large-scale systems of nonlinear equations. The most widely used method for solving systems of nonlinear equations is Newton's method. While much research has been devoted to augmenting Newton-based solvers (usually with globalization techniques), little has been devoted to exploring the application of different models. Our research has been directed at evaluating techniques using different models than Newton's method: a lower order model, Broyden's method, and a higher order model, the tensor method. We have developed large-scale versions of each of these models and have demonstrated their use in important applications at Sandia. Broyden's method replaces the Jacobian with an approximation, allowing codes that cannot evaluate a Jacobian or have an inaccurate Jacobian to converge to a solution. Limited-memory methods, which have been successful in optimization, allow us to extend this approach to large-scale problems. We compare the robustness and efficiency of Newton's method, modified Newton's method, Jacobian-free Newton-Krylov method, and our limited-memory Broyden method. Comparisons are carried out for large-scale applications of fluid flow simulations and electronic circuit simulations. Results show that, in cases where the Jacobian was inaccurate or could not be computed, Broyden's method converged in some cases where Newton's method failed to converge. We identify conditions where Broyden's method can be more efficient than Newton's method. We also present modifications to a large-scale tensor method, originally proposed by Bouaricha, for greater efficiency, better robustness, and wider applicability. Tensor methods are an alternative to Newton-based methods and are based on computing a step based on a local quadratic model rather than a linear model. The advantage of Bouaricha's method is that it can use any

  15. Large-Scale Multiantenna Multisine Wireless Power Transfer

    Science.gov (United States)

    Huang, Yang; Clerckx, Bruno

    2017-11-01

    Wireless Power Transfer (WPT) is expected to be a technology reshaping the landscape of low-power applications such as the Internet of Things, Radio Frequency identification (RFID) networks, etc. Although there has been some progress towards multi-antenna multi-sine WPT design, the large-scale design of WPT, reminiscent of massive MIMO in communications, remains an open challenge. In this paper, we derive efficient multiuser algorithms based on a generalizable optimization framework, in order to design transmit sinewaves that maximize the weighted-sum/minimum rectenna output DC voltage. The study highlights the significant effect of the nonlinearity introduced by the rectification process on the design of waveforms in multiuser systems. Interestingly, in the single-user case, the optimal spatial domain beamforming, obtained prior to the frequency domain power allocation optimization, turns out to be Maximum Ratio Transmission (MRT). In contrast, in the general weighted sum criterion maximization problem, the spatial domain beamforming optimization and the frequency domain power allocation optimization are coupled. Assuming channel hardening, low-complexity algorithms are proposed based on asymptotic analysis, to maximize the two criteria. The structure of the asymptotically optimal spatial domain precoder can be found prior to the optimization. The performance of the proposed algorithms is evaluated. Numerical results confirm the inefficiency of the linear model-based design for the single and multi-user scenarios. It is also shown that as nonlinear model-based designs, the proposed algorithms can benefit from an increasing number of sinewaves.

  16. REVEALING THE PHYSICAL PROPERTIES OF MOLECULAR GAS IN ORION WITH A LARGE-SCALE SURVEY IN J = 2-1 LINES OF {sup 12}CO, {sup 13}CO, AND C{sup 18}O

    Energy Technology Data Exchange (ETDEWEB)

    Nishimura, Atsushi; Tokuda, Kazuki; Kimura, Kimihiro; Muraoka, Kazuyuki; Maezawa, Hiroyuki; Ogawa, Hideo; Onishi, Toshikazu [Department of Physical Science, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan); Dobashi, Kazuhito; Shimoikura, Tomomi [Department of Astronomy and Earth Sciences, Tokyo Gakugei University, 4-1-1 Nukuikita-machi, Koganei, Tokyo 184-8501 (Japan); Mizuno, Akira [Solar-terrestrial Environment Laboratory, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8601 (Japan); Fukui, Yasuo, E-mail: atsushi.nishimura@nao.ac.jp [Department of Physics and Astrophysics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602 (Japan)

    2015-01-01

    We present fully sampled ∼3' resolution images of {sup 12}CO(J = 2-1), {sup 13}CO(J = 2-1), and C{sup 18}O(J = 2-1) emission taken with the newly developed 1.85 m millimeter-submillimeter telescope over the entire area of the Orion A and B giant molecular clouds. The data were compared with J = 1-0 of the {sup 12}CO, {sup 13}CO, and C{sup 18}O data taken with the Nagoya 4 m telescope and the NANTEN telescope at the same angular resolution to derive the spatial distributions of the physical properties of the molecular gas. We explore the large velocity gradient formalism to determine the gas density and temperature using line combinations of {sup 12}CO(J = 2-1), {sup 13}CO(J = 2-1), and {sup 13}CO(J = 1-0) assuming a uniform velocity gradient and abundance ratio of CO. The derived gas density is in the range of 500 to 5000 cm{sup –3}, and the derived gas temperature is mostly in the range of 20 to 50 K along the cloud ridge with a temperature gradient depending on the distance from the star forming region. We found that the high-temperature region at the cloud edge faces the H II region, indicating that the molecular gas is interacting with the stellar wind and radiation from the massive stars. In addition, we compared the derived gas properties with the young stellar objects distribution obtained with the Spitzer telescope to investigate the relationship between the gas properties and the star formation activity therein. We found that the gas density and star formation efficiency are positively well correlated, indicating that stars form effectively in the dense gas region.

  17. Reduced high-molecular-weight adiponectin and elevated high-sensitivity C-reactive protein are synergistic risk factors for metabolic syndrome in a large-scale middle-aged to elderly population: the Shimanami Health Promoting Program Study.

    Science.gov (United States)

    Tabara, Yasuharu; Osawa, Haruhiko; Kawamoto, Ryuichi; Tachibana-Iimori, Rieko; Yamamoto, Miyuki; Nakura, Jun; Miki, Tetsuro; Makino, Hideich; Kohara, Katsuhiko

    2008-03-01

    In Western countries, one of the most important modifiable targets for the prevention of cardiovascular diseases is metabolic syndrome. Adiponectin is an adipose tissue-specific plasma protein that inversely associates with metabolic syndrome. Among several molecular isoforms, high-molecular-weight (HMW) complex is considered the active form. Increased serum high-sensitivity C-reactive protein (hsCRP) concentration also associates with metabolic syndrome, and adiponectin could modulate plasma C-reactive protein levels. Here, through cross-sectional investigation, we investigated whether reduced HMW adiponectin and increased hsCRP levels in plasma are synergistically associated with metabolic syndrome. Measurement of HMW complex of adiponectin is one of the novelties of this study. We analyzed 1845 community-dwelling middle-aged to elderly subjects (62+/-13 yr). Plasma HMW adiponectin levels were measured by ELISA. Clinical parameters were obtained from the subjects' personal health records, evaluated at their annual medical check-up. Each component of metabolic syndrome, except for raised blood pressure, showed significantly lower plasma HMW adiponectin concentrations for both men and women (P<0.001). In contrast, plasma hsCRP levels were significantly higher in subjects with metabolic disorders (P<0.001). After adjusting for other confounding factors, HMW adiponectin [log normalized, odds ratio 0.084 (95% confidence interval 0.050-0.142), P<0.001] and hsCRP [3.009 (2.175-4.163), P<0.001] were identified as independent determinants of metabolic syndrome. In addition to the direct associations, we also observed a synergistic effect between these two molecules (F=11.8, P<0.001). Reduced HMW adiponectin and elevated hsCRP are synergistically associated with the accumulation of metabolic disorders. The combination of these markers would be useful for identifying at-risk populations.

  18. Large Scale GW Calculations on the Cori System

    Science.gov (United States)

    Deslippe, Jack; Del Ben, Mauro; da Jornada, Felipe; Canning, Andrew; Louie, Steven

    The NERSC Cori system, powered by 9000+ Intel Xeon-Phi processors, represents one of the largest HPC systems for open-science in the United States and the world. We discuss the optimization of the GW methodology for this system, including both node level and system-scale optimizations. We highlight multiple large scale (thousands of atoms) case studies and discuss both absolute application performance and comparison to calculations on more traditional HPC architectures. We find that the GW method is particularly well suited for many-core architectures due to the ability to exploit a large amount of parallelism across many layers of the system. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program.

  19. Bonus algorithm for large scale stochastic nonlinear programming problems

    CERN Document Server

    Diwekar, Urmila

    2015-01-01

    This book presents the details of the BONUS algorithm and its real world applications in areas like sensor placement in large scale drinking water networks, sensor placement in advanced power systems, water management in power systems, and capacity expansion of energy systems. A generalized method for stochastic nonlinear programming based on a sampling based approach for uncertainty analysis and statistical reweighting to obtain probability information is demonstrated in this book. Stochastic optimization problems are difficult to solve since they involve dealing with optimization and uncertainty loops. There are two fundamental approaches used to solve such problems. The first being the decomposition techniques and the second method identifies problem specific structures and transforms the problem into a deterministic nonlinear programming problem. These techniques have significant limitations on either the objective function type or the underlying distributions for the uncertain variables. Moreover, these ...

  20. Integral criteria for large-scale multiple fingerprint solutions

    Science.gov (United States)

    Ushmaev, Oleg S.; Novikov, Sergey O.

    2004-08-01

    We propose the definition and analysis of the optimal integral similarity score criterion for large scale multmodal civil ID systems. Firstly, the general properties of score distributions for genuine and impostor matches for different systems and input devices are investigated. The empirical statistics was taken from the real biometric tests. Then we carry out the analysis of simultaneous score distributions for a number of combined biometric tests and primary for ultiple fingerprint solutions. The explicit and approximate relations for optimal integral score, which provides the least value of the FRR while the FAR is predefined, have been obtained. The results of real multiple fingerprint test show good correspondence with the theoretical results in the wide range of the False Acceptance and the False Rejection Rates.

  1. Large-scale stochasticity in Hamiltonian systems

    International Nuclear Information System (INIS)

    Escande, D.F.

    1982-01-01

    Large scale stochasticity (L.S.S.) in Hamiltonian systems is defined on the paradigm Hamiltonian H(v,x,t) =v 2 /2-M cos x-P cos k(x-t) which describes the motion of one particle in two electrostatic waves. A renormalization transformation Tsub(r) is described which acts as a microscope that focusses on a given KAM (Kolmogorov-Arnold-Moser) torus in phase space. Though approximate, Tsub(r) yields the threshold of L.S.S. in H with an error of 5-10%. The universal behaviour of KAM tori is predicted: for instance the scale invariance of KAM tori and the critical exponent of the Lyapunov exponent of Cantori. The Fourier expansion of KAM tori is computed and several conjectures by L. Kadanoff and S. Shenker are proved. Chirikov's standard mapping for stochastic layers is derived in a simpler way and the width of the layers is computed. A simpler renormalization scheme for these layers is defined. A Mathieu equation for describing the stability of a discrete family of cycles is derived. When combined with Tsub(r), it allows to prove the link between KAM tori and nearby cycles, conjectured by J. Greene and, in particular, to compute the mean residue of a torus. The fractal diagrams defined by G. Schmidt are computed. A sketch of a methodology for computing the L.S.S. threshold in any two-degree-of-freedom Hamiltonian system is given. (Auth.)

  2. Large-scale tides in general relativity

    Energy Technology Data Exchange (ETDEWEB)

    Ip, Hiu Yan; Schmidt, Fabian, E-mail: iphys@mpa-garching.mpg.de, E-mail: fabians@mpa-garching.mpg.de [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, 85741 Garching (Germany)

    2017-02-01

    Density perturbations in cosmology, i.e. spherically symmetric adiabatic perturbations of a Friedmann-Lemaȋtre-Robertson-Walker (FLRW) spacetime, are locally exactly equivalent to a different FLRW solution, as long as their wavelength is much larger than the sound horizon of all fluid components. This fact is known as the 'separate universe' paradigm. However, no such relation is known for anisotropic adiabatic perturbations, which correspond to an FLRW spacetime with large-scale tidal fields. Here, we provide a closed, fully relativistic set of evolutionary equations for the nonlinear evolution of such modes, based on the conformal Fermi (CFC) frame. We show explicitly that the tidal effects are encoded by the Weyl tensor, and are hence entirely different from an anisotropic Bianchi I spacetime, where the anisotropy is sourced by the Ricci tensor. In order to close the system, certain higher derivative terms have to be dropped. We show that this approximation is equivalent to the local tidal approximation of Hui and Bertschinger [1]. We also show that this very simple set of equations matches the exact evolution of the density field at second order, but fails at third and higher order. This provides a useful, easy-to-use framework for computing the fully relativistic growth of structure at second order.

  3. Food appropriation through large scale land acquisitions

    International Nuclear Information System (INIS)

    Cristina Rulli, Maria; D’Odorico, Paolo

    2014-01-01

    The increasing demand for agricultural products and the uncertainty of international food markets has recently drawn the attention of governments and agribusiness firms toward investments in productive agricultural land, mostly in the developing world. The targeted countries are typically located in regions that have remained only marginally utilized because of lack of modern technology. It is expected that in the long run large scale land acquisitions (LSLAs) for commercial farming will bring the technology required to close the existing crops yield gaps. While the extent of the acquired land and the associated appropriation of freshwater resources have been investigated in detail, the amount of food this land can produce and the number of people it could feed still need to be quantified. Here we use a unique dataset of land deals to provide a global quantitative assessment of the rates of crop and food appropriation potentially associated with LSLAs. We show how up to 300–550 million people could be fed by crops grown in the acquired land, should these investments in agriculture improve crop production and close the yield gap. In contrast, about 190–370 million people could be supported by this land without closing of the yield gap. These numbers raise some concern because the food produced in the acquired land is typically exported to other regions, while the target countries exhibit high levels of malnourishment. Conversely, if used for domestic consumption, the crops harvested in the acquired land could ensure food security to the local populations. (letter)

  4. Large Scale EOF Analysis of Climate Data

    Science.gov (United States)

    Prabhat, M.; Gittens, A.; Kashinath, K.; Cavanaugh, N. R.; Mahoney, M.

    2016-12-01

    We present a distributed approach towards extracting EOFs from 3D climate data. We implement the method in Apache Spark, and process multi-TB sized datasets on O(1000-10,000) cores. We apply this method to latitude-weighted ocean temperature data from CSFR, a 2.2 terabyte-sized data set comprising ocean and subsurface reanalysis measurements collected at 41 levels in the ocean, at 6 hour intervals over 31 years. We extract the first 100 EOFs of this full data set and compare to the EOFs computed simply on the surface temperature field. Our analyses provide evidence of Kelvin and Rossy waves and components of large-scale modes of oscillation including the ENSO and PDO that are not visible in the usual SST EOFs. Further, they provide information on the the most influential parts of the ocean, such as the thermocline, that exist below the surface. Work is ongoing to understand the factors determining the depth-varying spatial patterns observed in the EOFs. We will experiment with weighting schemes to appropriately account for the differing depths of the observations. We also plan to apply the same distributed approach to analysis of analysis of 3D atmospheric climatic data sets, including multiple variables. Because the atmosphere changes on a quicker time-scale than the ocean, we expect that the results will demonstrate an even greater advantage to computing 3D EOFs in lieu of 2D EOFs.

  5. Mirror dark matter and large scale structure

    International Nuclear Information System (INIS)

    Ignatiev, A.Yu.; Volkas, R.R.

    2003-01-01

    Mirror matter is a dark matter candidate. In this paper, we reexamine the linear regime of density perturbation growth in a universe containing mirror dark matter. Taking adiabatic scale-invariant perturbations as the input, we confirm that the resulting processed power spectrum is richer than for the more familiar cases of cold, warm and hot dark matter. The new features include a maximum at a certain scale λ max , collisional damping below a smaller characteristic scale λ S ' , with oscillatory perturbations between the two. These scales are functions of the fundamental parameters of the theory. In particular, they decrease for decreasing x, the ratio of the mirror plasma temperature to that of the ordinary. For x∼0.2, the scale λ max becomes galactic. Mirror dark matter therefore leads to bottom-up large scale structure formation, similar to conventional cold dark matter, for x(less-or-similar sign)0.2. Indeed, the smaller the value of x, the closer mirror dark matter resembles standard cold dark matter during the linear regime. The differences pertain to scales smaller than λ S ' in the linear regime, and generally in the nonlinear regime because mirror dark matter is chemically complex and to some extent dissipative. Lyman-α forest data and the early reionization epoch established by WMAP may hold the key to distinguishing mirror dark matter from WIMP-style cold dark matter

  6. 大型风电机组限功率运行特性分析及其优化调度%Power-limited Operation Characteristic Analysis and Optimal Scheduling for Large Scale Wind Turbines

    Institute of Scientific and Technical Information of China (English)

    肖运启; 贺贯举

    2014-01-01

    近年来大量风电场的并网给电网安全运行带来困难,为此电网调度部门对所辖风电场提出了严格的限发要求。变速风电机组需要从传统的最大风能利用运行模式向限功率运行模式转变,由于风力机功率特性具有强非线性,运行模式的改变对风电机组以及风电场的控制策略提出了更高的设计要求。提出了一种考虑风电机组限功率运行状态优化的风电场功率调度策略。首先,基于小扰动分析方法分析了限功率运行下风电机组非线性模型的稳定特性;然后,提出了一种限功率运行状态评价指标;接下来,建立了风电场功率调度多目标优化模型,并基于遗传算法设计了求解策略。最后,结合实际算例验证了所提调度策略的有效性。%In recent years,a large number of wind farms have been connected to grid which causes difficulty in maintaining secure grid operations,consequently,the dispatch centers often need to require the wind farms to limit their power output strictly.As a result,the operating mode of wind turbines and wind farm needs to be transferred from traditional maximum wind energy tracking to power limited operating conditions. However,given the strong nonlinear characteristics of the turbines,changing operating mode requires more complex control strategies for both the wind turbines and wind farms.A wind farm power optimum dispatching strategy,considering the wind turbine power limited operation conditions,is proposed.A small disturbance analysis method is adopted to analyze the stability for power limited operations.An assessment index is presented to evaluate the operating modes.A multi-objective optimization model is established using genetic algorithms. Numerical examples are given to validate the efficiency of the strategy proposed.

  7. GPU-based large-scale visualization

    KAUST Repository

    Hadwiger, Markus

    2013-11-19

    Recent advances in image and volume acquisition as well as computational advances in simulation have led to an explosion of the amount of data that must be visualized and analyzed. Modern techniques combine the parallel processing power of GPUs with out-of-core methods and data streaming to enable the interactive visualization of giga- and terabytes of image and volume data. A major enabler for interactivity is making both the computational and the visualization effort proportional to the amount of data that is actually visible on screen, decoupling it from the full data size. This leads to powerful display-aware multi-resolution techniques that enable the visualization of data of almost arbitrary size. The course consists of two major parts: An introductory part that progresses from fundamentals to modern techniques, and a more advanced part that discusses details of ray-guided volume rendering, novel data structures for display-aware visualization and processing, and the remote visualization of large online data collections. You will learn how to develop efficient GPU data structures and large-scale visualizations, implement out-of-core strategies and concepts such as virtual texturing that have only been employed recently, as well as how to use modern multi-resolution representations. These approaches reduce the GPU memory requirements of extremely large data to a working set size that fits into current GPUs. You will learn how to perform ray-casting of volume data of almost arbitrary size and how to render and process gigapixel images using scalable, display-aware techniques. We will describe custom virtual texturing architectures as well as recent hardware developments in this area. We will also describe client/server systems for distributed visualization, on-demand data processing and streaming, and remote visualization. We will describe implementations using OpenGL as well as CUDA, exploiting parallelism on GPUs combined with additional asynchronous

  8. Mapping spatial patterns of denitrifiers at large scales (Invited)

    Science.gov (United States)

    Philippot, L.; Ramette, A.; Saby, N.; Bru, D.; Dequiedt, S.; Ranjard, L.; Jolivet, C.; Arrouays, D.

    2010-12-01

    Little information is available regarding the landscape-scale distribution of microbial communities and its environmental determinants. Here we combined molecular approaches and geostatistical modeling to explore spatial patterns of the denitrifying community at large scales. The distribution of denitrifrying community was investigated over 107 sites in Burgundy, a 31 500 km2 region of France, using a 16 X 16 km sampling grid. At each sampling site, the abundances of denitrifiers and 42 soil physico-chemical properties were measured. The relative contributions of land use, spatial distance, climatic conditions, time and soil physico-chemical properties to the denitrifier spatial distribution were analyzed by canonical variation partitioning. Our results indicate that 43% to 85% of the spatial variation in community abundances could be explained by the measured environmental parameters, with soil chemical properties (mostly pH) being the main driver. We found spatial autocorrelation up to 739 km and used geostatistical modelling to generate predictive maps of the distribution of denitrifiers at the landscape scale. Studying the distribution of the denitrifiers at large scale can help closing the artificial gap between the investigation of microbial processes and microbial community ecology, therefore facilitating our understanding of the relationships between the ecology of denitrifiers and N-fluxes by denitrification.

  9. Large Scale Self-Organizing Information Distribution System

    National Research Council Canada - National Science Library

    Low, Steven

    2005-01-01

    This project investigates issues in "large-scale" networks. Here "large-scale" refers to networks with large number of high capacity nodes and transmission links, and shared by a large number of users...

  10. Distributed large-scale dimensional metrology new insights

    CERN Document Server

    Franceschini, Fiorenzo; Maisano, Domenico

    2011-01-01

    Focuses on the latest insights into and challenges of distributed large scale dimensional metrology Enables practitioners to study distributed large scale dimensional metrology independently Includes specific examples of the development of new system prototypes

  11. Exploiting Data Sparsity for Large-Scale Matrix Computations

    KAUST Repository

    Akbudak, Kadir; Ltaief, Hatem; Mikhalev, Aleksandr; Charara, Ali; Keyes, David E.

    2018-01-01

    Exploiting data sparsity in dense matrices is an algorithmic bridge between architectures that are increasingly memory-austere on a per-core basis and extreme-scale applications. The Hierarchical matrix Computations on Manycore Architectures (HiCMA) library tackles this challenging problem by achieving significant reductions in time to solution and memory footprint, while preserving a specified accuracy requirement of the application. HiCMA provides a high-performance implementation on distributed-memory systems of one of the most widely used matrix factorization in large-scale scientific applications, i.e., the Cholesky factorization. It employs the tile low-rank data format to compress the dense data-sparse off-diagonal tiles of the matrix. It then decomposes the matrix computations into interdependent tasks and relies on the dynamic runtime system StarPU for asynchronous out-of-order scheduling, while allowing high user-productivity. Performance comparisons and memory footprint on matrix dimensions up to eleven million show a performance gain and memory saving of more than an order of magnitude for both metrics on thousands of cores, against state-of-the-art open-source and vendor optimized numerical libraries. This represents an important milestone in enabling large-scale matrix computations toward solving big data problems in geospatial statistics for climate/weather forecasting applications.

  12. Exploiting Data Sparsity for Large-Scale Matrix Computations

    KAUST Repository

    Akbudak, Kadir

    2018-02-24

    Exploiting data sparsity in dense matrices is an algorithmic bridge between architectures that are increasingly memory-austere on a per-core basis and extreme-scale applications. The Hierarchical matrix Computations on Manycore Architectures (HiCMA) library tackles this challenging problem by achieving significant reductions in time to solution and memory footprint, while preserving a specified accuracy requirement of the application. HiCMA provides a high-performance implementation on distributed-memory systems of one of the most widely used matrix factorization in large-scale scientific applications, i.e., the Cholesky factorization. It employs the tile low-rank data format to compress the dense data-sparse off-diagonal tiles of the matrix. It then decomposes the matrix computations into interdependent tasks and relies on the dynamic runtime system StarPU for asynchronous out-of-order scheduling, while allowing high user-productivity. Performance comparisons and memory footprint on matrix dimensions up to eleven million show a performance gain and memory saving of more than an order of magnitude for both metrics on thousands of cores, against state-of-the-art open-source and vendor optimized numerical libraries. This represents an important milestone in enabling large-scale matrix computations toward solving big data problems in geospatial statistics for climate/weather forecasting applications.

  13. Large scale PV plants - also in Denmark. Project report

    Energy Technology Data Exchange (ETDEWEB)

    Ahm, P [PA Energy, Malling (Denmark); Vedde, J [SiCon. Silicon and PV consulting, Birkeroed (Denmark)

    2011-04-15

    Large scale PV (LPV) plants, plants with a capacity of more than 200 kW, has since 2007 constituted an increasing share of the global PV installations. In 2009 large scale PV plants with cumulative power more that 1,3 GWp were connected to the grid. The necessary design data for LPV plants in Denmark are available or can be found, although irradiance data could be improved. There seems to be very few institutional barriers for LPV projects, but as so far no real LPV projects have been processed, these findings have to be regarded as preliminary. The fast growing number of very large scale solar thermal plants for district heating applications supports these findings. It has further been investigated, how to optimize the lay-out of LPV plants. Under the Danish irradiance conditions with several winter months with very low solar height PV installations on flat surfaces will have to balance the requirements of physical space - and cost, and the loss of electricity production due to shadowing effects. The potential for LPV plants in Denmark are found in three main categories: PV installations on flat roof of large commercial buildings, PV installations on other large scale infrastructure such as noise barriers and ground mounted PV installations. The technical potential for all three categories is found to be significant and in the range of 50 - 250 km2. In terms of energy harvest PV plants will under Danish conditions exhibit an overall efficiency of about 10 % in conversion of the energy content of the light compared to about 0,3 % for biomass. The theoretical ground area needed to produce the present annual electricity consumption of Denmark at 33-35 TWh is about 300 km2 The Danish grid codes and the electricity safety regulations mention very little about PV and nothing about LPV plants. It is expected that LPV plants will be treated similarly to big wind turbines. A number of LPV plant scenarios have been investigated in detail based on real commercial offers and

  14. Probes of large-scale structure in the Universe

    International Nuclear Information System (INIS)

    Suto, Yasushi; Gorski, K.; Juszkiewicz, R.; Silk, J.

    1988-01-01

    Recent progress in observational techniques has made it possible to confront quantitatively various models for the large-scale structure of the Universe with detailed observational data. We develop a general formalism to show that the gravitational instability theory for the origin of large-scale structure is now capable of critically confronting observational results on cosmic microwave background radiation angular anisotropies, large-scale bulk motions and large-scale clumpiness in the galaxy counts. (author)

  15. Large scale dynamics of protoplanetary discs

    Science.gov (United States)

    Béthune, William

    2017-08-01

    Planets form in the gaseous and dusty disks orbiting young stars. These protoplanetary disks are dispersed in a few million years, being accreted onto the central star or evaporated into the interstellar medium. To explain the observed accretion rates, it is commonly assumed that matter is transported through the disk by turbulence, although the mechanism sustaining turbulence is uncertain. On the other side, irradiation by the central star could heat up the disk surface and trigger a photoevaporative wind, but thermal effects cannot account for the observed acceleration and collimation of the wind into a narrow jet perpendicular to the disk plane. Both issues can be solved if the disk is sensitive to magnetic fields. Weak fields lead to the magnetorotational instability, whose outcome is a state of sustained turbulence. Strong fields can slow down the disk, causing it to accrete while launching a collimated wind. However, the coupling between the disk and the neutral gas is done via electric charges, each of which is outnumbered by several billion neutral molecules. The imperfect coupling between the magnetic field and the neutral gas is described in terms of "non-ideal" effects, introducing new dynamical behaviors. This thesis is devoted to the transport processes happening inside weakly ionized and weakly magnetized accretion disks; the role of microphysical effects on the large-scale dynamics of the disk is of primary importance. As a first step, I exclude the wind and examine the impact of non-ideal effects on the turbulent properties near the disk midplane. I show that the flow can spontaneously organize itself if the ionization fraction is low enough; in this case, accretion is halted and the disk exhibits axisymmetric structures, with possible consequences on planetary formation. As a second step, I study the launching of disk winds via a global model of stratified disk embedded in a warm atmosphere. This model is the first to compute non-ideal effects from

  16. Large-Scale Spacecraft Fire Safety Tests

    Science.gov (United States)

    Urban, David; Ruff, Gary A.; Ferkul, Paul V.; Olson, Sandra; Fernandez-Pello, A. Carlos; T'ien, James S.; Torero, Jose L.; Cowlard, Adam J.; Rouvreau, Sebastien; Minster, Olivier; hide

    2014-01-01

    An international collaborative program is underway to address open issues in spacecraft fire safety. Because of limited access to long-term low-gravity conditions and the small volume generally allotted for these experiments, there have been relatively few experiments that directly study spacecraft fire safety under low-gravity conditions. Furthermore, none of these experiments have studied sample sizes and environment conditions typical of those expected in a spacecraft fire. The major constraint has been the size of the sample, with prior experiments limited to samples of the order of 10 cm in length and width or smaller. This lack of experimental data forces spacecraft designers to base their designs and safety precautions on 1-g understanding of flame spread, fire detection, and suppression. However, low-gravity combustion research has demonstrated substantial differences in flame behavior in low-gravity. This, combined with the differences caused by the confined spacecraft environment, necessitates practical scale spacecraft fire safety research to mitigate risks for future space missions. To address this issue, a large-scale spacecraft fire experiment is under development by NASA and an international team of investigators. This poster presents the objectives, status, and concept of this collaborative international project (Saffire). The project plan is to conduct fire safety experiments on three sequential flights of an unmanned ISS re-supply spacecraft (the Orbital Cygnus vehicle) after they have completed their delivery of cargo to the ISS and have begun their return journeys to earth. On two flights (Saffire-1 and Saffire-3), the experiment will consist of a flame spread test involving a meter-scale sample ignited in the pressurized volume of the spacecraft and allowed to burn to completion while measurements are made. On one of the flights (Saffire-2), 9 smaller (5 x 30 cm) samples will be tested to evaluate NASAs material flammability screening tests

  17. Large-scale fuel cycle centres

    International Nuclear Information System (INIS)

    Smiley, S.H.; Black, K.M.

    1977-01-01

    The US Nuclear Regulatory Commission (NRC) has considered the nuclear energy centre concept for fuel cycle plants in the Nuclear Energy Centre Site Survey 1975 (NECSS-75) Rep. No. NUREG-0001, an important study mandated by the US Congress in the Energy Reorganization Act of 1974 which created the NRC. For this study, the NRC defined fuel cycle centres as consisting of fuel reprocessing and mixed-oxide fuel fabrication plants, and optional high-level waste and transuranic waste management facilities. A range of fuel cycle centre sizes corresponded to the fuel throughput of power plants with a total capacity of 50,000-300,000MW(e). The types of fuel cycle facilities located at the fuel cycle centre permit the assessment of the role of fuel cycle centres in enhancing the safeguard of strategic special nuclear materials - plutonium and mixed oxides. Siting fuel cycle centres presents a smaller problem than siting reactors. A single reprocessing plant of the scale projected for use in the USA (1500-2000t/a) can reprocess fuel from reactors producing 50,000-65,000MW(e). Only two or three fuel cycle centres of the upper limit size considered in the NECSS-75 would be required in the USA by the year 2000. The NECSS-75 fuel cycle centre evaluation showed that large-scale fuel cycle centres present no real technical siting difficulties from a radiological effluent and safety standpoint. Some construction economies may be achievable with fuel cycle centres, which offer opportunities to improve waste-management systems. Combined centres consisting of reactors and fuel reprocessing and mixed-oxide fuel fabrication plants were also studied in the NECSS. Such centres can eliminate shipment not only of Pu but also mixed-oxide fuel. Increased fuel cycle costs result from implementation of combined centres unless the fuel reprocessing plants are commercial-sized. Development of Pu-burning reactors could reduce any economic penalties of combined centres. The need for effective fissile

  18. Iodine oxides in large-scale THAI tests

    International Nuclear Information System (INIS)

    Funke, F.; Langrock, G.; Kanzleiter, T.; Poss, G.; Fischer, K.; Kühnel, A.; Weber, G.; Allelein, H.-J.

    2012-01-01

    Highlights: ► Iodine oxide particles were produced from gaseous iodine and ozone. ► Ozone replaced the effect of ionizing radiation in the large-scale THAI facility. ► The mean diameter of the iodine oxide particles was about 0.35 μm. ► Particle formation was faster than the chemical reaction between iodine and ozone. ► Deposition of iodine oxide particles was slow in the absence of other aerosols. - Abstract: The conversion of gaseous molecular iodine into iodine oxide aerosols has significant relevance in the understanding of the fission product iodine volatility in a LWR containment during severe accidents. In containment, the high radiation field caused by fission products released from the reactor core induces radiolytic oxidation into iodine oxides. To study the characteristics and the behaviour of iodine oxides in large scale, two THAI tests Iod-13 and Iod-14 were performed, simulating radiolytic oxidation of molecular iodine by reaction of iodine with ozone, with ozone injected from an ozone generator. The observed iodine oxides form submicron particles with mean volume-related diameters of about 0.35 μm and show low deposition rates in the THAI tests performed in the absence of other nuclear aerosols. Formation of iodine aerosols from gaseous precursors iodine and ozone is fast as compared to their chemical interaction. The current approach in empirical iodine containment behaviour models in severe accidents, including the radiolytic production of I 2 -oxidizing agents followed by the I 2 oxidation itself, is confirmed by these THAI tests.

  19. Including investment risk in large-scale power market models

    DEFF Research Database (Denmark)

    Lemming, Jørgen Kjærgaard; Meibom, P.

    2003-01-01

    Long-term energy market models can be used to examine investments in production technologies, however, with market liberalisation it is crucial that such models include investment risks and investor behaviour. This paper analyses how the effect of investment risk on production technology selection...... can be included in large-scale partial equilibrium models of the power market. The analyses are divided into a part about risk measures appropriate for power market investors and a more technical part about the combination of a risk-adjustment model and a partial-equilibrium model. To illustrate...... the analyses quantitatively, a framework based on an iterative interaction between the equilibrium model and a separate risk-adjustment module was constructed. To illustrate the features of the proposed modelling approach we examined how uncertainty in demand and variable costs affects the optimal choice...

  20. Exploiting large-scale correlations to detect continuous gravitational waves.

    Science.gov (United States)

    Pletsch, Holger J; Allen, Bruce

    2009-10-30

    Fully coherent searches (over realistic ranges of parameter space and year-long observation times) for unknown sources of continuous gravitational waves are computationally prohibitive. Less expensive hierarchical searches divide the data into shorter segments which are analyzed coherently, then detection statistics from different segments are combined incoherently. The novel method presented here solves the long-standing problem of how best to do the incoherent combination. The optimal solution exploits large-scale parameter-space correlations in the coherent detection statistic. Application to simulated data shows dramatic sensitivity improvements compared with previously available (ad hoc) methods, increasing the spatial volume probed by more than 2 orders of magnitude at lower computational cost.

  1. Optimization of FTA technology for large scale plant DNA isolation ...

    African Journals Online (AJOL)

    GRACE

    2006-05-02

    May 2, 2006 ... product yields and quality are sufficient for reliable scoring, distinguishing heterozygous from homozygous plants ... food and agriculture, testing drug discovery, transgenic, ... container. For QPM ... mM EDTA, pH 8). The FTA ...

  2. Operational optimization of large-scale SRF accelerators

    International Nuclear Information System (INIS)

    J. R. Delayen; L. R. Doolittle; C. E. Reece

    1999-01-01

    Unlike other types of accelerator subsystems, because of the flexibility in setting the gradient in each cavity, an SRF linac has many operational degrees of freedom. The overall linac has an operational envelope (beam voltage and current) that depends on acceptable reliability, cryogenic capacity, and RF power budget. For economic and end-user physics reasons, one typically wants to run as close to the edge of the operational envelope as possible. With about 160 cavities in each of the CEBAF linacs. The authors have been forced to treat this problem in a very general way, and satisfy other non-fundamental needs as energy lock and rapid recovery from failures. They present a description of the relevant diverse constraints and the solution developed for CEBAF

  3. Optimization of Large Scale HEP Data Analysis in LHCb

    International Nuclear Information System (INIS)

    Remenska, Daniela; Aaij, Roel; Raven, Gerhard; Merk, Marcel; Templon, Jeff; Bril, Reinder J

    2011-01-01

    Observation has lead to a conclusion that the physics analysis jobs run by LHCb physicists on a local computing farm (i.e. non-grid) require more efficient access to the data which resides on the Grid. Our experiments have shown that the I/O bound nature of the analysis jobs in combination with the latency due to the remote access protocols (e.g. rfio, dcap) cause a low CPU efficiency of these jobs. In addition to causing a low CPU efficiency, the remote access protocols give rise to high overhead (in terms of amount of data transferred). This paper gives an overview of the concept of pre-fetching and caching of input files in the proximity of the processing resources, which is exploited to cope with the I/O bound analysis jobs. The files are copied from Grid storage elements (using GridFTP), while concurrently performing computations, inspired from a similar idea used in the ATLAS experiment. The results illustrate that this file staging approach is relatively insensitive to the original location of the data, and a significant improvement can be achieved in terms of the CPU efficiency of an analysis job. Dealing with scalability of such a solution on the Grid environment is discussed briefly.

  4. Optimization of FTA technology for large scale plant DNA isolation ...

    African Journals Online (AJOL)

    Conventional methods for DNA acquisition and storage require expensive reagents and equipments. Experimental fields located in remote areas and large sample size presents greater challenge to developing country institutions constrained financially. FTATM technology uses a single format utilizing basic tools found in ...

  5. Dynamic Modeling, Optimization, and Advanced Control for Large Scale Biorefineries

    DEFF Research Database (Denmark)

    Prunescu, Remus Mihail

    with a complex conversion route. Computational fluid dynamics is used to model transport phenomena in large reactors capturing tank profiles, and delays due to plug flows. This work publishes for the first time demonstration scale real data for validation showing that the model library is suitable...

  6. Large scale injection test (LASGIT) modelling

    International Nuclear Information System (INIS)

    Arnedo, D.; Olivella, S.; Alonso, E.E.

    2010-01-01

    Document available in extended abstract form only. With the objective of understanding the gas flow processes through clay barriers in schemes of radioactive waste disposal, the Lasgit in situ experiment was planned and is currently in progress. The modelling of the experiment will permit to better understand of the responses, to confirm hypothesis of mechanisms and processes and to learn in order to design future experiments. The experiment and modelling activities are included in the project FORGE (FP7). The in situ large scale injection test Lasgit is currently being performed at the Aespoe Hard Rock Laboratory by SKB and BGS. An schematic layout of the test is shown. The deposition hole follows the KBS3 scheme. A copper canister is installed in the axe of the deposition hole, surrounded by blocks of highly compacted MX-80 bentonite. A concrete plug is placed at the top of the buffer. A metallic lid anchored to the surrounding host rock is included in order to prevent vertical movements of the whole system during gas injection stages (high gas injection pressures are expected to be reached). Hydration of the buffer material is achieved by injecting water through filter mats, two placed at the rock walls and two at the interfaces between bentonite blocks. Water is also injected through the 12 canister filters. Gas injection stages are performed injecting gas to some of the canister injection filters. Since the water pressure and the stresses (swelling pressure development) will be high during gas injection, it is necessary to inject at high gas pressures. This implies mechanical couplings as gas penetrates after the gas entry pressure is achieved and may produce deformations which in turn lead to permeability increments. A 3D hydro-mechanical numerical model of the test using CODE-BRIGHT is presented. The domain considered for the modelling is shown. The materials considered in the simulation are the MX-80 bentonite blocks (cylinders and rings), the concrete plug

  7. Large-scale fuel cycle centers

    International Nuclear Information System (INIS)

    Smiley, S.H.; Black, K.M.

    1977-01-01

    The United States Nuclear Regulatory Commission (NRC) has considered the nuclear energy center concept for fuel cycle plants in the Nuclear Energy Center Site Survey - 1975 (NECSS-75) -- an important study mandated by the U.S. Congress in the Energy Reorganization Act of 1974 which created the NRC. For the study, NRC defined fuel cycle centers to consist of fuel reprocessing and mixed oxide fuel fabrication plants, and optional high-level waste and transuranic waste management facilities. A range of fuel cycle center sizes corresponded to the fuel throughput of power plants with a total capacity of 50,000 - 300,000 MWe. The types of fuel cycle facilities located at the fuel cycle center permit the assessment of the role of fuel cycle centers in enhancing safeguarding of strategic special nuclear materials -- plutonium and mixed oxides. Siting of fuel cycle centers presents a considerably smaller problem than the siting of reactors. A single reprocessing plant of the scale projected for use in the United States (1500-2000 MT/yr) can reprocess the fuel from reactors producing 50,000-65,000 MWe. Only two or three fuel cycle centers of the upper limit size considered in the NECSS-75 would be required in the United States by the year 2000 . The NECSS-75 fuel cycle center evaluations showed that large scale fuel cycle centers present no real technical difficulties in siting from a radiological effluent and safety standpoint. Some construction economies may be attainable with fuel cycle centers; such centers offer opportunities for improved waste management systems. Combined centers consisting of reactors and fuel reprocessing and mixed oxide fuel fabrication plants were also studied in the NECSS. Such centers can eliminate not only shipment of plutonium, but also mixed oxide fuel. Increased fuel cycle costs result from implementation of combined centers unless the fuel reprocessing plants are commercial-sized. Development of plutonium-burning reactors could reduce any

  8. Large-scale assembly of colloidal particles

    Science.gov (United States)

    Yang, Hongta

    This study reports a simple, roll-to-roll compatible coating technology for producing three-dimensional highly ordered colloidal crystal-polymer composites, colloidal crystals, and macroporous polymer membranes. A vertically beveled doctor blade is utilized to shear align silica microsphere-monomer suspensions to form large-area composites in a single step. The polymer matrix and the silica microspheres can be selectively removed to create colloidal crystals and self-standing macroporous polymer membranes. The thickness of the shear-aligned crystal is correlated with the viscosity of the colloidal suspension and the coating speed, and the correlations can be qualitatively explained by adapting the mechanisms developed for conventional doctor blade coating. Five important research topics related to the application of large-scale three-dimensional highly ordered macroporous films by doctor blade coating are covered in this study. The first topic describes the invention in large area and low cost color reflective displays. This invention is inspired by the heat pipe technology. The self-standing macroporous polymer films exhibit brilliant colors which originate from the Bragg diffractive of visible light form the three-dimensional highly ordered air cavities. The colors can be easily changed by tuning the size of the air cavities to cover the whole visible spectrum. When the air cavities are filled with a solvent which has the same refractive index as that of the polymer, the macroporous polymer films become completely transparent due to the index matching. When the solvent trapped in the cavities is evaporated by in-situ heating, the sample color changes back to brilliant color. This process is highly reversible and reproducible for thousands of cycles. The second topic reports the achievement of rapid and reversible vapor detection by using 3-D macroporous photonic crystals. Capillary condensation of a condensable vapor in the interconnected macropores leads to the

  9. Mesoderm Lineage 3D Tissue Constructs Are Produced at Large-Scale in a 3D Stem Cell Bioprocess.

    Science.gov (United States)

    Cha, Jae Min; Mantalaris, Athanasios; Jung, Sunyoung; Ji, Yurim; Bang, Oh Young; Bae, Hojae

    2017-09-01

    Various studies have presented different approaches to direct pluripotent stem cell differentiation such as applying defined sets of exogenous biochemical signals and genetic/epigenetic modifications. Although differentiation to target lineages can be successfully regulated, such conventional methods are often complicated, laborious, and not cost-effective to be employed to the large-scale production of 3D stem cell-based tissue constructs. A 3D-culture platform that could realize the large-scale production of mesoderm lineage tissue constructs from embryonic stem cells (ESCs) is developed. ESCs are cultured using our previously established 3D-bioprocess platform which is amenable to mass-production of 3D ESC-based tissue constructs. Hepatocarcinoma cell line conditioned medium is introduced to the large-scale 3D culture to provide a specific biomolecular microenvironment to mimic in vivo mesoderm formation process. After 5 days of spontaneous differentiation period, the resulting 3D tissue constructs are composed of multipotent mesodermal progenitor cells verified by gene and molecular expression profiles. Subsequently the optimal time points to trigger terminal differentiation towards cardiomyogenesis or osteogenesis from the mesodermal tissue constructs is found. A simple and affordable 3D ESC-bioprocess that can reach the scalable production of mesoderm origin tissues with significantly improved correspondent tissue properties is demonstrated. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Hybrid Metaheuristic Approach for Nonlocal Optimization of Molecular Systems.

    Science.gov (United States)

    Dresselhaus, Thomas; Yang, Jack; Kumbhar, Sadhana; Waller, Mark P

    2013-04-09

    Accurate modeling of molecular systems requires a good knowledge of the structure; therefore, conformation searching/optimization is a routine necessity in computational chemistry. Here we present a hybrid metaheuristic optimization (HMO) algorithm, which combines ant colony optimization (ACO) and particle swarm optimization (PSO) for the optimization of molecular systems. The HMO implementation meta-optimizes the parameters of the ACO algorithm on-the-fly by the coupled PSO algorithm. The ACO parameters were optimized on a set of small difluorinated polyenes where the parameters exhibited small variance as the size of the molecule increased. The HMO algorithm was validated by searching for the closed form of around 100 molecular balances. Compared to the gradient-based optimized molecular balance structures, the HMO algorithm was able to find low-energy conformations with a 87% success rate. Finally, the computational effort for generating low-energy conformation(s) for the phenylalanyl-glycyl-glycine tripeptide was approximately 60 CPU hours with the ACO algorithm, in comparison to 4 CPU years required for an exhaustive brute-force calculation.

  11. Blackthorn: Large-Scale Interactive Multimodal Learning

    DEFF Research Database (Denmark)

    Zahálka, Jan; Rudinac, Stevan; Jónsson, Björn Thór

    2018-01-01

    learning process. The Ratio-64 data representation introduced in this work only costs tens of bytes per item yet preserves most of the visual and textual semantic information with good accuracy. The optimized interactive learning model scores the Ratio-64- compressed data directly, greatly reducing...... outperforming the baseline with respect to the relevance of results: it vastly outperforms the baseline on recall over time and reaches up to 108% of its precision. Compared to the product quantization variant, Blackthorn is just as fast, while producing more relevant results. On the full YFCC100M dataset...

  12. Numerical computation of molecular integrals via optimized (vectorized) FORTRAN code

    International Nuclear Information System (INIS)

    Scott, T.C.; Grant, I.P.; Saunders, V.R.

    1997-01-01

    The calculation of molecular properties based on quantum mechanics is an area of fundamental research whose horizons have always been determined by the power of state-of-the-art computers. A computational bottleneck is the numerical calculation of the required molecular integrals to sufficient precision. Herein, we present a method for the rapid numerical evaluation of molecular integrals using optimized FORTRAN code generated by Maple. The method is based on the exploitation of common intermediates and the optimization can be adjusted to both serial and vectorized computations. (orig.)

  13. Low-Complexity Transmit Antenna Selection and Beamforming for Large-Scale MIMO Communications

    Directory of Open Access Journals (Sweden)

    Kun Qian

    2014-01-01

    Full Text Available Transmit antenna selection plays an important role in large-scale multiple-input multiple-output (MIMO communications, but optimal large-scale MIMO antenna selection is a technical challenge. Exhaustive search is often employed in antenna selection, but it cannot be efficiently implemented in large-scale MIMO communication systems due to its prohibitive high computation complexity. This paper proposes a low-complexity interactive multiple-parameter optimization method for joint transmit antenna selection and beamforming in large-scale MIMO communication systems. The objective is to jointly maximize the channel outrage capacity and signal-to-noise (SNR performance and minimize the mean square error in transmit antenna selection and minimum variance distortionless response (MVDR beamforming without exhaustive search. The effectiveness of all the proposed methods is verified by extensive simulation results. It is shown that the required antenna selection processing time of the proposed method does not increase along with the increase of selected antennas, but the computation complexity of conventional exhaustive search method will significantly increase when large-scale antennas are employed in the system. This is particularly useful in antenna selection for large-scale MIMO communication systems.

  14. Thermal power generation projects ``Large Scale Solar Heating``; EU-Thermie-Projekte ``Large Scale Solar Heating``

    Energy Technology Data Exchange (ETDEWEB)

    Kuebler, R.; Fisch, M.N. [Steinbeis-Transferzentrum Energie-, Gebaeude- und Solartechnik, Stuttgart (Germany)

    1998-12-31

    The aim of this project is the preparation of the ``Large-Scale Solar Heating`` programme for an Europe-wide development of subject technology. The following demonstration programme was judged well by the experts but was not immediately (1996) accepted for financial subsidies. In November 1997 the EU-commission provided 1,5 million ECU which allowed the realisation of an updated project proposal. By mid 1997 a small project was approved, that had been requested under the lead of Chalmes Industriteteknik (CIT) in Sweden and is mainly carried out for the transfer of technology. (orig.) [Deutsch] Ziel dieses Vorhabens ist die Vorbereitung eines Schwerpunktprogramms `Large Scale Solar Heating`, mit dem die Technologie europaweit weiterentwickelt werden sollte. Das daraus entwickelte Demonstrationsprogramm wurde von den Gutachtern positiv bewertet, konnte jedoch nicht auf Anhieb (1996) in die Foerderung aufgenommen werden. Im November 1997 wurden von der EU-Kommission dann kurzfristig noch 1,5 Mio ECU an Foerderung bewilligt, mit denen ein aktualisierter Projektvorschlag realisiert werden kann. Bereits Mitte 1997 wurde ein kleineres Vorhaben bewilligt, das unter Federfuehrung von Chalmers Industriteknik (CIT) in Schweden beantragt worden war und das vor allem dem Technologietransfer dient. (orig.)

  15. Analysis using large-scale ringing data

    Directory of Open Access Journals (Sweden)

    Baillie, S. R.

    2004-06-01

    survival and recruitment estimates from the French CES scheme to assess the relative contributions of survival and recruitment to overall population changes. He develops a novel approach to modelling survival rates from such multi–site data by using within–year recaptures to provide a covariate of between–year recapture rates. This provided parsimonious models of variation in recapture probabilities between sites and years. The approach provides promising results for the four species investigated and can potentially be extended to similar data from other CES/MAPS schemes. The final paper by Blandine Doligez, David Thomson and Arie van Noordwijk (Doligez et al., 2004 illustrates how large-scale studies of population dynamics can be important for evaluating the effects of conservation measures. Their study is concerned with the reintroduction of White Stork populations to the Netherlands where a re–introduction programme started in 1969 had resulted in a breeding population of 396 pairs by 2000. They demonstrate the need to consider a wide range of models in order to account for potential age, time, cohort and “trap–happiness” effects. As the data are based on resightings such trap–happiness must reflect some form of heterogeneity in resighting probabilities. Perhaps surprisingly, the provision of supplementary food did not influence survival, but it may havehad an indirect effect via the alteration of migratory behaviour. Spatially explicit modelling of data gathered at many sites inevitably results in starting models with very large numbers of parameters. The problem is often complicated further by having relatively sparse data at each site, even where the total amount of data gathered is very large. Both Julliard (2004 and Doligez et al. (2004 give explicit examples of problems caused by needing to handle very large numbers of parameters and show how they overcame them for their particular data sets. Such problems involve both the choice of appropriate

  16. Large-scale recording of astrocyte activity

    Science.gov (United States)

    Nimmerjahn, Axel; Bergles, Dwight E.

    2015-01-01

    Astrocytes are highly ramified glial cells found throughout the central nervous system (CNS). They express a variety of neurotransmitter receptors that can induce widespread chemical excitation, placing these cells in an optimal position to exert global effects on brain physiology. However, the activity patterns of only a small fraction of astrocytes have been examined and techniques to manipulate their behavior are limited. As a result, little is known about how astrocytes modulate CNS function on synaptic, microcircuit, or systems levels. Here, we review current and emerging approaches for visualizing and manipulating astrocyte activity in vivo. Deciphering how astrocyte network activity is controlled in different physiological and pathological contexts is critical for defining their roles in the healthy and diseased CNS. PMID:25665733

  17. Automatic management software for large-scale cluster system

    International Nuclear Information System (INIS)

    Weng Yunjian; Chinese Academy of Sciences, Beijing; Sun Gongxing

    2007-01-01

    At present, the large-scale cluster system faces to the difficult management. For example the manager has large work load. It needs to cost much time on the management and the maintenance of large-scale cluster system. The nodes in large-scale cluster system are very easy to be chaotic. Thousands of nodes are put in big rooms so that some managers are very easy to make the confusion with machines. How do effectively carry on accurate management under the large-scale cluster system? The article introduces ELFms in the large-scale cluster system. Furthermore, it is proposed to realize the large-scale cluster system automatic management. (authors)

  18. Large scale chromatographic separations using continuous displacement chromatography (CDC)

    International Nuclear Information System (INIS)

    Taniguchi, V.T.; Doty, A.W.; Byers, C.H.

    1988-01-01

    A process for large scale chromatographic separations using a continuous chromatography technique is described. The process combines the advantages of large scale batch fixed column displacement chromatography with conventional analytical or elution continuous annular chromatography (CAC) to enable large scale displacement chromatography to be performed on a continuous basis (CDC). Such large scale, continuous displacement chromatography separations have not been reported in the literature. The process is demonstrated with the ion exchange separation of a binary lanthanide (Nd/Pr) mixture. The process is, however, applicable to any displacement chromatography separation that can be performed using conventional batch, fixed column chromatography

  19. Enabling High Performance Large Scale Dense Problems through KBLAS

    KAUST Repository

    Abdelfattah, Ahmad

    2014-05-04

    KBLAS (KAUST BLAS) is a small library that provides highly optimized BLAS routines on systems accelerated with GPUs. KBLAS is entirely written in CUDA C, and targets NVIDIA GPUs with compute capability 2.0 (Fermi) or higher. The current focus is on level-2 BLAS routines, namely the general matrix vector multiplication (GEMV) kernel, and the symmetric/hermitian matrix vector multiplication (SYMV/HEMV) kernel. KBLAS provides these two kernels in all four precisions (s, d, c, and z), with support to multi-GPU systems. Through advanced optimization techniques that target latency hiding and pushing memory bandwidth to the limit, KBLAS outperforms state-of-the-art kernels by 20-90% improvement. Competitors include CUBLAS-5.5, MAGMABLAS-1.4.0, and CULAR17. The SYMV/HEMV kernel from KBLAS has been adopted by NVIDIA, and should appear in CUBLAS-6.0. KBLAS has been used in large scale simulations of multi-object adaptive optics.

  20. Performance evaluation of the DCMD desalination process under bench scale and large scale module operating conditions

    KAUST Repository

    Francis, Lijo; Ghaffour, NorEddine; Alsaadi, Ahmad Salem; Nunes, Suzana Pereira; Amy, Gary L.

    2014-01-01

    The flux performance of different hydrophobic microporous flat sheet commercial membranes made of poly tetrafluoroethylene (PTFE) and poly propylene (PP) was tested for Red Sea water desalination using the direct contact membrane distillation (DCMD) process, under bench scale (high δT) and large scale module (low δT) operating conditions. Membranes were characterized for their surface morphology, water contact angle, thickness, porosity, pore size and pore size distribution. The DCMD process performance was optimized using a locally designed and fabricated module aiming to maximize the flux at different levels of operating parameters, mainly feed water and coolant inlet temperatures at different temperature differences across the membrane (δT). Water vapor flux of 88.8kg/m2h was obtained using a PTFE membrane at high δT (60°C). In addition, the flux performance was compared to the first generation of a new locally synthesized and fabricated membrane made of a different class of polymer under the same conditions. A total salt rejection of 99.99% and boron rejection of 99.41% were achieved under extreme operating conditions. On the other hand, a detailed water characterization revealed that low molecular weight non-ionic molecules (ppb level) were transported with the water vapor molecules through the membrane structure. The membrane which provided the highest flux was then tested under large scale module operating conditions. The average flux of the latter study (low δT) was found to be eight times lower than that of the bench scale (high δT) operating conditions.

  1. Performance evaluation of the DCMD desalination process under bench scale and large scale module operating conditions

    KAUST Repository

    Francis, Lijo

    2014-04-01

    The flux performance of different hydrophobic microporous flat sheet commercial membranes made of poly tetrafluoroethylene (PTFE) and poly propylene (PP) was tested for Red Sea water desalination using the direct contact membrane distillation (DCMD) process, under bench scale (high δT) and large scale module (low δT) operating conditions. Membranes were characterized for their surface morphology, water contact angle, thickness, porosity, pore size and pore size distribution. The DCMD process performance was optimized using a locally designed and fabricated module aiming to maximize the flux at different levels of operating parameters, mainly feed water and coolant inlet temperatures at different temperature differences across the membrane (δT). Water vapor flux of 88.8kg/m2h was obtained using a PTFE membrane at high δT (60°C). In addition, the flux performance was compared to the first generation of a new locally synthesized and fabricated membrane made of a different class of polymer under the same conditions. A total salt rejection of 99.99% and boron rejection of 99.41% were achieved under extreme operating conditions. On the other hand, a detailed water characterization revealed that low molecular weight non-ionic molecules (ppb level) were transported with the water vapor molecules through the membrane structure. The membrane which provided the highest flux was then tested under large scale module operating conditions. The average flux of the latter study (low δT) was found to be eight times lower than that of the bench scale (high δT) operating conditions.

  2. Dynamic Reactive Power Compensation of Large Scale Wind Integrated Power System

    DEFF Research Database (Denmark)

    Rather, Zakir Hussain; Chen, Zhe; Thøgersen, Paul

    2015-01-01

    wind turbines especially wind farms with additional grid support functionalities like dynamic support (e,g dynamic reactive power support etc.) and ii) refurbishment of existing conventional central power plants to synchronous condensers could be one of the efficient, reliable and cost effective option......Due to progressive displacement of conventional power plants by wind turbines, dynamic security of large scale wind integrated power systems gets significantly compromised. In this paper we first highlight the importance of dynamic reactive power support/voltage security in large scale wind...... integrated power systems with least presence of conventional power plants. Then we propose a mixed integer dynamic optimization based method for optimal dynamic reactive power allocation in large scale wind integrated power systems. One of the important aspects of the proposed methodology is that unlike...

  3. First principles molecular dynamics without self-consistent field optimization

    International Nuclear Information System (INIS)

    Souvatzis, Petros; Niklasson, Anders M. N.

    2014-01-01

    We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations

  4. Prospects for large scale electricity storage in Denmark

    DEFF Research Database (Denmark)

    Krog Ekman, Claus; Jensen, Søren Højgaard

    2010-01-01

    In a future power systems with additional wind power capacity there will be an increased need for large scale power management as well as reliable balancing and reserve capabilities. Different technologies for large scale electricity storage provide solutions to the different challenges arising w...

  5. Large-scale matrix-handling subroutines 'ATLAS'

    International Nuclear Information System (INIS)

    Tsunematsu, Toshihide; Takeda, Tatsuoki; Fujita, Keiichi; Matsuura, Toshihiko; Tahara, Nobuo

    1978-03-01

    Subroutine package ''ATLAS'' has been developed for handling large-scale matrices. The package is composed of four kinds of subroutines, i.e., basic arithmetic routines, routines for solving linear simultaneous equations and for solving general eigenvalue problems and utility routines. The subroutines are useful in large scale plasma-fluid simulations. (auth.)

  6. Large-scale Agricultural Land Acquisitions in West Africa | IDRC ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    This project will examine large-scale agricultural land acquisitions in nine West African countries -Burkina Faso, Guinea-Bissau, Guinea, Benin, Mali, Togo, Senegal, Niger, and Côte d'Ivoire. ... They will use the results to increase public awareness and knowledge about the consequences of large-scale land acquisitions.

  7. Large-scale synthesis of YSZ nanopowder by Pechini method

    Indian Academy of Sciences (India)

    Administrator

    structure and chemical purity of 99⋅1% by inductively coupled plasma optical emission spectroscopy on a large scale. Keywords. Sol–gel; yttria-stabilized zirconia; large scale; nanopowder; Pechini method. 1. Introduction. Zirconia has attracted the attention of many scientists because of its tremendous thermal, mechanical ...

  8. Large-scale enzymatic production of natural flavour esters in organic solvent with continuous water removal.

    Science.gov (United States)

    Gubicza, L; Kabiri-Badr, A; Keoves, E; Belafi-Bako, K

    2001-11-30

    A new, large-scale process was developed for the enzymatic production of low molecular weight flavour esters in organic solvent. Solutions for the elimination of substrate and product inhibitions are presented. The excess water produced during the process was continuously removed by hetero-azeotropic distillation and esters were produced at yields of over 90%.

  9. Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries.

    Science.gov (United States)

    Sun, Qiming; Chan, Garnet Kin-Lic

    2014-09-09

    Motivated by recent work in density matrix embedding theory, we define exact link orbitals that capture all quantum mechanical (QM) effects across arbitrary quantum mechanics/molecular mechanics (QM/MM) boundaries. Exact link orbitals are rigorously defined from the full QM solution, and their number is equal to the number of orbitals in the primary QM region. Truncating the exact set yields a smaller set of link orbitals optimal with respect to reproducing the primary region density matrix. We use the optimal link orbitals to obtain insight into the limits of QM/MM boundary treatments. We further analyze the popular general hybrid orbital (GHO) QM/MM boundary across a test suite of molecules. We find that GHOs are often good proxies for the most important optimal link orbital, although there is little detailed correlation between the detailed GHO composition and optimal link orbital valence weights. The optimal theory shows that anions and cations cannot be described by a single link orbital. However, expanding to include the second most important optimal link orbital in the boundary recovers an accurate description. The second optimal link orbital takes the chemically intuitive form of a donor or acceptor orbital for charge redistribution, suggesting that optimal link orbitals can be used as interpretative tools for electron transfer. We further find that two optimal link orbitals are also sufficient for boundaries that cut across double bonds. Finally, we suggest how to construct "approximately" optimal link orbitals for practical QM/MM calculations.

  10. A large-scale chromosome-specific SNP discovery guideline.

    Science.gov (United States)

    Akpinar, Bala Ani; Lucas, Stuart; Budak, Hikmet

    2017-01-01

    Single-nucleotide polymorphisms (SNPs) are the most prevalent type of variation in genomes that are increasingly being used as molecular markers in diversity analyses, mapping and cloning of genes, and germplasm characterization. However, only a few studies reported large-scale SNP discovery in Aegilops tauschii, restricting their potential use as markers for the low-polymorphic D genome. Here, we report 68,592 SNPs found on the gene-related sequences of the 5D chromosome of Ae. tauschii genotype MvGB589 using genomic and transcriptomic sequences from seven Ae. tauschii accessions, including AL8/78, the only genotype for which a draft genome sequence is available at present. We also suggest a workflow to compare SNP positions in homologous regions on the 5D chromosome of Triticum aestivum, bread wheat, to mark single nucleotide variations between these closely related species. Overall, the identified SNPs define a density of 4.49 SNPs per kilobyte, among the highest reported for the genic regions of Ae. tauschii so far. To our knowledge, this study also presents the first chromosome-specific SNP catalog in Ae. tauschii that should facilitate the association of these SNPs with morphological traits on chromosome 5D to be ultimately targeted for wheat improvement.

  11. Output regulation of large-scale hydraulic networks with minimal steady state power consumption

    NARCIS (Netherlands)

    Jensen, Tom Nørgaard; Wisniewski, Rafał; De Persis, Claudio; Kallesøe, Carsten Skovmose

    2014-01-01

    An industrial case study involving a large-scale hydraulic network is examined. The hydraulic network underlies a district heating system, with an arbitrary number of end-users. The problem of output regulation is addressed along with a optimization criterion for the control. The fact that the

  12. Financing a large-scale picture archival and communication system.

    Science.gov (United States)

    Goldszal, Alberto F; Bleshman, Michael H; Bryan, R Nick

    2004-01-01

    An attempt to finance a large-scale multi-hospital picture archival and communication system (PACS) solely based on cost savings from current film operations is reported. A modified Request for Proposal described the technical requirements, PACS architecture, and performance targets. The Request for Proposal was complemented by a set of desired financial goals-the main one being the ability to use film savings to pay for the implementation and operation of the PACS. Financing of the enterprise-wide PACS was completed through an operating lease agreement including all PACS equipment, implementation, service, and support for an 8-year term, much like a complete outsourcing. Equipment refreshes, both hardware and software, are included. Our agreement also linked the management of the digital imaging operation (PACS) and the traditional film printing, shifting the operational risks of continued printing and costs related to implementation delays to the PACS vendor. An additional optimization step provided the elimination of the negative film budget variances in the beginning of the project when PACS costs tend to be higher than film and film-related expenses. An enterprise-wide PACS has been adopted to achieve clinical workflow improvements and cost savings. PACS financing was solely based on film savings, which included the entire digital solution (PACS) and any residual film printing. These goals were achieved with simultaneous elimination of any over-budget scenarios providing a non-negative cash flow in each year of an 8-year term.

  13. Staghorn: An Automated Large-Scale Distributed System Analysis Platform

    Energy Technology Data Exchange (ETDEWEB)

    Gabert, Kasimir [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Burns, Ian [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Elliott, Steven [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kallaher, Jenna [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Vail, Adam [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-09-01

    Conducting experiments on large-scale distributed computing systems is becoming significantly easier with the assistance of emulation. Researchers can now create a model of a distributed computing environment and then generate a virtual, laboratory copy of the entire system composed of potentially thousands of virtual machines, switches, and software. The use of real software, running at clock rate in full virtual machines, allows experiments to produce meaningful results without necessitating a full understanding of all model components. However, the ability to inspect and modify elements within these models is bound by the limitation that such modifications must compete with the model, either running in or alongside it. This inhibits entire classes of analyses from being conducted upon these models. We developed a mechanism to snapshot an entire emulation-based model as it is running. This allows us to \\freeze time" and subsequently fork execution, replay execution, modify arbitrary parts of the model, or deeply explore the model. This snapshot includes capturing packets in transit and other input/output state along with the running virtual machines. We were able to build this system in Linux using Open vSwitch and Kernel Virtual Machines on top of Sandia's emulation platform Firewheel. This primitive opens the door to numerous subsequent analyses on models, including state space exploration, debugging distributed systems, performance optimizations, improved training environments, and improved experiment repeatability.

  14. FFTLasso: Large-Scale LASSO in the Fourier Domain

    KAUST Repository

    Bibi, Adel Aamer

    2017-11-09

    In this paper, we revisit the LASSO sparse representation problem, which has been studied and used in a variety of different areas, ranging from signal processing and information theory to computer vision and machine learning. In the vision community, it found its way into many important applications, including face recognition, tracking, super resolution, image denoising, to name a few. Despite advances in efficient sparse algorithms, solving large-scale LASSO problems remains a challenge. To circumvent this difficulty, people tend to downsample and subsample the problem (e.g. via dimensionality reduction) to maintain a manageable sized LASSO, which usually comes at the cost of losing solution accuracy. This paper proposes a novel circulant reformulation of the LASSO that lifts the problem to a higher dimension, where ADMM can be efficiently applied to its dual form. Because of this lifting, all optimization variables are updated using only basic element-wise operations, the most computationally expensive of which is a 1D FFT. In this way, there is no need for a linear system solver nor matrix-vector multiplication. Since all operations in our FFTLasso method are element-wise, the subproblems are completely independent and can be trivially parallelized (e.g. on a GPU). The attractive computational properties of FFTLasso are verified by extensive experiments on synthetic and real data and on the face recognition task. They demonstrate that FFTLasso scales much more effectively than a state-of-the-art solver.

  15. Large-scale parallel genome assembler over cloud computing environment.

    Science.gov (United States)

    Das, Arghya Kusum; Koppa, Praveen Kumar; Goswami, Sayan; Platania, Richard; Park, Seung-Jong

    2017-06-01

    The size of high throughput DNA sequencing data has already reached the terabyte scale. To manage this huge volume of data, many downstream sequencing applications started using locality-based computing over different cloud infrastructures to take advantage of elastic (pay as you go) resources at a lower cost. However, the locality-based programming model (e.g. MapReduce) is relatively new. Consequently, developing scalable data-intensive bioinformatics applications using this model and understanding the hardware environment that these applications require for good performance, both require further research. In this paper, we present a de Bruijn graph oriented Parallel Giraph-based Genome Assembler (GiGA), as well as the hardware platform required for its optimal performance. GiGA uses the power of Hadoop (MapReduce) and Giraph (large-scale graph analysis) to achieve high scalability over hundreds of compute nodes by collocating the computation and data. GiGA achieves significantly higher scalability with competitive assembly quality compared to contemporary parallel assemblers (e.g. ABySS and Contrail) over traditional HPC cluster. Moreover, we show that the performance of GiGA is significantly improved by using an SSD-based private cloud infrastructure over traditional HPC cluster. We observe that the performance of GiGA on 256 cores of this SSD-based cloud infrastructure closely matches that of 512 cores of traditional HPC cluster.

  16. Applicability of vector processing to large-scale nuclear codes

    International Nuclear Information System (INIS)

    Ishiguro, Misako; Harada, Hiroo; Matsuura, Toshihiko; Okuda, Motoi; Ohta, Fumio; Umeya, Makoto.

    1982-03-01

    To meet the growing trend of computational requirements in JAERI, introduction of a high-speed computer with vector processing faculty (a vector processor) is desirable in the near future. To make effective use of a vector processor, appropriate optimization of nuclear codes to pipelined-vector architecture is vital, which will pose new problems concerning code development and maintenance. In this report, vector processing efficiency is assessed with respect to large-scale nuclear codes by examining the following items: 1) The present feature of computational load in JAERI is analyzed by compiling the computer utilization statistics. 2) Vector processing efficiency is estimated for the ten heavily-used nuclear codes by analyzing their dynamic behaviors run on a scalar machine. 3) Vector processing efficiency is measured for the other five nuclear codes by using the current vector processors, FACOM 230-75 APU and CRAY-1. 4) Effectiveness of applying a high-speed vector processor to nuclear codes is evaluated by taking account of the characteristics in JAERI jobs. Problems of vector processors are also discussed from the view points of code performance and ease of use. (author)

  17. FFTLasso: Large-Scale LASSO in the Fourier Domain

    KAUST Repository

    Bibi, Adel Aamer; Itani, Hani; Ghanem, Bernard

    2017-01-01

    In this paper, we revisit the LASSO sparse representation problem, which has been studied and used in a variety of different areas, ranging from signal processing and information theory to computer vision and machine learning. In the vision community, it found its way into many important applications, including face recognition, tracking, super resolution, image denoising, to name a few. Despite advances in efficient sparse algorithms, solving large-scale LASSO problems remains a challenge. To circumvent this difficulty, people tend to downsample and subsample the problem (e.g. via dimensionality reduction) to maintain a manageable sized LASSO, which usually comes at the cost of losing solution accuracy. This paper proposes a novel circulant reformulation of the LASSO that lifts the problem to a higher dimension, where ADMM can be efficiently applied to its dual form. Because of this lifting, all optimization variables are updated using only basic element-wise operations, the most computationally expensive of which is a 1D FFT. In this way, there is no need for a linear system solver nor matrix-vector multiplication. Since all operations in our FFTLasso method are element-wise, the subproblems are completely independent and can be trivially parallelized (e.g. on a GPU). The attractive computational properties of FFTLasso are verified by extensive experiments on synthetic and real data and on the face recognition task. They demonstrate that FFTLasso scales much more effectively than a state-of-the-art solver.

  18. Fast Component Pursuit for Large-Scale Inverse Covariance Estimation.

    Science.gov (United States)

    Han, Lei; Zhang, Yu; Zhang, Tong

    2016-08-01

    The maximum likelihood estimation (MLE) for the Gaussian graphical model, which is also known as the inverse covariance estimation problem, has gained increasing interest recently. Most existing works assume that inverse covariance estimators contain sparse structure and then construct models with the ℓ 1 regularization. In this paper, different from existing works, we study the inverse covariance estimation problem from another perspective by efficiently modeling the low-rank structure in the inverse covariance, which is assumed to be a combination of a low-rank part and a diagonal matrix. One motivation for this assumption is that the low-rank structure is common in many applications including the climate and financial analysis, and another one is that such assumption can reduce the computational complexity when computing its inverse. Specifically, we propose an efficient COmponent Pursuit (COP) method to obtain the low-rank part, where each component can be sparse. For optimization, the COP method greedily learns a rank-one component in each iteration by maximizing the log-likelihood. Moreover, the COP algorithm enjoys several appealing properties including the existence of an efficient solution in each iteration and the theoretical guarantee on the convergence of this greedy approach. Experiments on large-scale synthetic and real-world datasets including thousands of millions variables show that the COP method is faster than the state-of-the-art techniques for the inverse covariance estimation problem when achieving comparable log-likelihood on test data.

  19. Implicit solvers for large-scale nonlinear problems

    International Nuclear Information System (INIS)

    Keyes, David E; Reynolds, Daniel R; Woodward, Carol S

    2006-01-01

    Computational scientists are grappling with increasingly complex, multi-rate applications that couple such physical phenomena as fluid dynamics, electromagnetics, radiation transport, chemical and nuclear reactions, and wave and material propagation in inhomogeneous media. Parallel computers with large storage capacities are paving the way for high-resolution simulations of coupled problems; however, hardware improvements alone will not prove enough to enable simulations based on brute-force algorithmic approaches. To accurately capture nonlinear couplings between dynamically relevant phenomena, often while stepping over rapid adjustments to quasi-equilibria, simulation scientists are increasingly turning to implicit formulations that require a discrete nonlinear system to be solved for each time step or steady state solution. Recent advances in iterative methods have made fully implicit formulations a viable option for solution of these large-scale problems. In this paper, we overview one of the most effective iterative methods, Newton-Krylov, for nonlinear systems and point to software packages with its implementation. We illustrate the method with an example from magnetically confined plasma fusion and briefly survey other areas in which implicit methods have bestowed important advantages, such as allowing high-order temporal integration and providing a pathway to sensitivity analyses and optimization. Lastly, we overview algorithm extensions under development motivated by current SciDAC applications

  20. Design of optimal laser pulses to control molecular rovibrational ...

    Indian Academy of Sciences (India)

    Optimal control theory in combination with time-dependent quantum dynamics is employed to design laser ... area of quantum computing,22 use of molecular states of various systems ..... frequency) and ωv=0, j=1→v=1, j=0, along with small con- tributions from ... discussed here for three rovibrational excitation pro- cesses.

  1. An Novel Architecture of Large-scale Communication in IOT

    Science.gov (United States)

    Ma, Wubin; Deng, Su; Huang, Hongbin

    2018-03-01

    In recent years, many scholars have done a great deal of research on the development of Internet of Things and networked physical systems. However, few people have made the detailed visualization of the large-scale communications architecture in the IOT. In fact, the non-uniform technology between IPv6 and access points has led to a lack of broad principles of large-scale communications architectures. Therefore, this paper presents the Uni-IPv6 Access and Information Exchange Method (UAIEM), a new architecture and algorithm that addresses large-scale communications in the IOT.

  2. Large scale and big data processing and management

    CERN Document Server

    Sakr, Sherif

    2014-01-01

    Large Scale and Big Data: Processing and Management provides readers with a central source of reference on the data management techniques currently available for large-scale data processing. Presenting chapters written by leading researchers, academics, and practitioners, it addresses the fundamental challenges associated with Big Data processing tools and techniques across a range of computing environments.The book begins by discussing the basic concepts and tools of large-scale Big Data processing and cloud computing. It also provides an overview of different programming models and cloud-bas

  3. Comparison Between Overtopping Discharge in Small and Large Scale Models

    DEFF Research Database (Denmark)

    Helgason, Einar; Burcharth, Hans F.

    2006-01-01

    The present paper presents overtopping measurements from small scale model test performed at the Haudraulic & Coastal Engineering Laboratory, Aalborg University, Denmark and large scale model tests performed at the Largde Wave Channel,Hannover, Germany. Comparison between results obtained from...... small and large scale model tests show no clear evidence of scale effects for overtopping above a threshold value. In the large scale model no overtopping was measured for waveheights below Hs = 0.5m as the water sunk into the voids between the stones on the crest. For low overtopping scale effects...

  4. Distributed and hierarchical control techniques for large-scale power plant systems

    International Nuclear Information System (INIS)

    Raju, G.V.S.; Kisner, R.A.

    1985-08-01

    In large-scale systems, integrated and coordinated control functions are required to maximize plant availability, to allow maneuverability through various power levels, and to meet externally imposed regulatory limitations. Nuclear power plants are large-scale systems. Prime subsystems are those that contribute directly to the behavior of the plant's ultimate output. The prime subsystems in a nuclear power plant include reactor, primary and intermediate heat transport, steam generator, turbine generator, and feedwater system. This paper describes and discusses the continuous-variable control system developed to supervise prime plant subsystems for optimal control and coordination

  5. Cytology of DNA Replication Reveals Dynamic Plasticity of Large-Scale Chromatin Fibers.

    Science.gov (United States)

    Deng, Xiang; Zhironkina, Oxana A; Cherepanynets, Varvara D; Strelkova, Olga S; Kireev, Igor I; Belmont, Andrew S

    2016-09-26

    In higher eukaryotic interphase nuclei, the 100- to >1,000-fold linear compaction of chromatin is difficult to reconcile with its function as a template for transcription, replication, and repair. It is challenging to imagine how DNA and RNA polymerases with their associated molecular machinery would move along the DNA template without transient decondensation of observed large-scale chromatin "chromonema" fibers [1]. Transcription or "replication factory" models [2], in which polymerases remain fixed while DNA is reeled through, are similarly difficult to conceptualize without transient decondensation of these chromonema fibers. Here, we show how a dynamic plasticity of chromatin folding within large-scale chromatin fibers allows DNA replication to take place without significant changes in the global large-scale chromatin compaction or shape of these large-scale chromatin fibers. Time-lapse imaging of lac-operator-tagged chromosome regions shows no major change in the overall compaction of these chromosome regions during their DNA replication. Improved pulse-chase labeling of endogenous interphase chromosomes yields a model in which the global compaction and shape of large-Mbp chromatin domains remains largely invariant during DNA replication, with DNA within these domains undergoing significant movements and redistribution as they move into and then out of adjacent replication foci. In contrast to hierarchical folding models, this dynamic plasticity of large-scale chromatin organization explains how localized changes in DNA topology allow DNA replication to take place without an accompanying global unfolding of large-scale chromatin fibers while suggesting a possible mechanism for maintaining epigenetic programming of large-scale chromatin domains throughout DNA replication. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. A method of orbital analysis for large-scale first-principles simulations

    International Nuclear Information System (INIS)

    Ohwaki, Tsukuru; Otani, Minoru; Ozaki, Taisuke

    2014-01-01

    An efficient method of calculating the natural bond orbitals (NBOs) based on a truncation of the entire density matrix of a whole system is presented for large-scale density functional theory calculations. The method recovers an orbital picture for O(N) electronic structure methods which directly evaluate the density matrix without using Kohn-Sham orbitals, thus enabling quantitative analysis of chemical reactions in large-scale systems in the language of localized Lewis-type chemical bonds. With the density matrix calculated by either an exact diagonalization or O(N) method, the computational cost is O(1) for the calculation of NBOs associated with a local region where a chemical reaction takes place. As an illustration of the method, we demonstrate how an electronic structure in a local region of interest can be analyzed by NBOs in a large-scale first-principles molecular dynamics simulation for a liquid electrolyte bulk model (propylene carbonate + LiBF 4 )

  7. State of the Art in Large-Scale Soil Moisture Monitoring

    Science.gov (United States)

    Ochsner, Tyson E.; Cosh, Michael Harold; Cuenca, Richard H.; Dorigo, Wouter; Draper, Clara S.; Hagimoto, Yutaka; Kerr, Yan H.; Larson, Kristine M.; Njoku, Eni Gerald; Small, Eric E.; hide

    2013-01-01

    Soil moisture is an essential climate variable influencing land atmosphere interactions, an essential hydrologic variable impacting rainfall runoff processes, an essential ecological variable regulating net ecosystem exchange, and an essential agricultural variable constraining food security. Large-scale soil moisture monitoring has advanced in recent years creating opportunities to transform scientific understanding of soil moisture and related processes. These advances are being driven by researchers from a broad range of disciplines, but this complicates collaboration and communication. For some applications, the science required to utilize large-scale soil moisture data is poorly developed. In this review, we describe the state of the art in large-scale soil moisture monitoring and identify some critical needs for research to optimize the use of increasingly available soil moisture data. We review representative examples of 1) emerging in situ and proximal sensing techniques, 2) dedicated soil moisture remote sensing missions, 3) soil moisture monitoring networks, and 4) applications of large-scale soil moisture measurements. Significant near-term progress seems possible in the use of large-scale soil moisture data for drought monitoring. Assimilation of soil moisture data for meteorological or hydrologic forecasting also shows promise, but significant challenges related to model structures and model errors remain. Little progress has been made yet in the use of large-scale soil moisture observations within the context of ecological or agricultural modeling. Opportunities abound to advance the science and practice of large-scale soil moisture monitoring for the sake of improved Earth system monitoring, modeling, and forecasting.

  8. Algorithm 873: LSTRS: MATLAB Software for Large-Scale Trust-Region Subproblems and Regularization

    DEFF Research Database (Denmark)

    Rojas Larrazabal, Marielba de la Caridad; Santos, Sandra A.; Sorensen, Danny C.

    2008-01-01

    A MATLAB 6.0 implementation of the LSTRS method is resented. LSTRS was described in Rojas, M., Santos, S.A., and Sorensen, D.C., A new matrix-free method for the large-scale trust-region subproblem, SIAM J. Optim., 11(3):611-646, 2000. LSTRS is designed for large-scale quadratic problems with one...... at each step. LSTRS relies on matrix-vector products only and has low and fixed storage requirements, features that make it suitable for large-scale computations. In the MATLAB implementation, the Hessian matrix of the quadratic objective function can be specified either explicitly, or in the form...... of a matrix-vector multiplication routine. Therefore, the implementation preserves the matrix-free nature of the method. A description of the LSTRS method and of the MATLAB software, version 1.2, is presented. Comparisons with other techniques and applications of the method are also included. A guide...

  9. Large-scale land transformations in Indonesia: The role of ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    ... enable timely responses to the impacts of large-scale land transformations in Central Kalimantan ... In partnership with UNESCO's Organization for Women in Science for the ... New funding opportunity for gender equality and climate change.

  10. Resolute large scale mining company contribution to health services of

    African Journals Online (AJOL)

    Resolute large scale mining company contribution to health services of Lusu ... in terms of socio economic, health, education, employment, safe drinking water, ... The data were analyzed using Scientific Package for Social Science (SPSS).

  11. Personalized Opportunistic Computing for CMS at Large Scale

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    **Douglas Thain** is an Associate Professor of Computer Science and Engineering at the University of Notre Dame, where he designs large scale distributed computing systems to power the needs of advanced science and...

  12. Bottom-Up Accountability Initiatives and Large-Scale Land ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Corey Piccioni

    fuel/energy, climate, and finance has occurred and one of the most ... this wave of large-scale land acquisitions. In fact, esti- ... Environmental Rights Action/Friends of the Earth,. Nigeria ... map the differentiated impacts (gender, ethnicity,.

  13. Bottom-Up Accountability Initiatives and Large-Scale Land ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    ... Security can help increase accountability for large-scale land acquisitions in ... to build decent economic livelihoods and participate meaningfully in decisions ... its 2017 call for proposals to establish Cyber Policy Centres in the Global South.

  14. Amplification of large-scale magnetic field in nonhelical magnetohydrodynamics

    KAUST Repository

    Kumar, Rohit

    2017-08-11

    It is typically assumed that the kinetic and magnetic helicities play a crucial role in the growth of large-scale dynamo. In this paper, we demonstrate that helicity is not essential for the amplification of large-scale magnetic field. For this purpose, we perform nonhelical magnetohydrodynamic (MHD) simulation, and show that the large-scale magnetic field can grow in nonhelical MHD when random external forcing is employed at scale 1/10 the box size. The energy fluxes and shell-to-shell transfer rates computed using the numerical data show that the large-scale magnetic energy grows due to the energy transfers from the velocity field at the forcing scales.

  15. Needs, opportunities, and options for large scale systems research

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, G.L.

    1984-10-01

    The Office of Energy Research was recently asked to perform a study of Large Scale Systems in order to facilitate the development of a true large systems theory. It was decided to ask experts in the fields of electrical engineering, chemical engineering and manufacturing/operations research for their ideas concerning large scale systems research. The author was asked to distribute a questionnaire among these experts to find out their opinions concerning recent accomplishments and future research directions in large scale systems research. He was also requested to convene a conference which included three experts in each area as panel members to discuss the general area of large scale systems research. The conference was held on March 26--27, 1984 in Pittsburgh with nine panel members, and 15 other attendees. The present report is a summary of the ideas presented and the recommendations proposed by the attendees.

  16. Large-Scale 3D Printing: The Way Forward

    Science.gov (United States)

    Jassmi, Hamad Al; Najjar, Fady Al; Ismail Mourad, Abdel-Hamid

    2018-03-01

    Research on small-scale 3D printing has rapidly evolved, where numerous industrial products have been tested and successfully applied. Nonetheless, research on large-scale 3D printing, directed to large-scale applications such as construction and automotive manufacturing, yet demands a great a great deal of efforts. Large-scale 3D printing is considered an interdisciplinary topic and requires establishing a blended knowledge base from numerous research fields including structural engineering, materials science, mechatronics, software engineering, artificial intelligence and architectural engineering. This review article summarizes key topics of relevance to new research trends on large-scale 3D printing, particularly pertaining (1) technological solutions of additive construction (i.e. the 3D printers themselves), (2) materials science challenges, and (3) new design opportunities.

  17. No Large Scale Curvature Perturbations during Waterfall of Hybrid Inflation

    OpenAIRE

    Abolhasani, Ali Akbar; Firouzjahi, Hassan

    2010-01-01

    In this paper the possibility of generating large scale curvature perturbations induced from the entropic perturbations during the waterfall phase transition of standard hybrid inflation model is studied. We show that whether or not appreciable amounts of large scale curvature perturbations are produced during the waterfall phase transition depend crucially on the competition between the classical and the quantum mechanical back-reactions to terminate inflation. If one considers only the clas...

  18. Bayesian hierarchical model for large-scale covariance matrix estimation.

    Science.gov (United States)

    Zhu, Dongxiao; Hero, Alfred O

    2007-12-01

    Many bioinformatics problems implicitly depend on estimating large-scale covariance matrix. The traditional approaches tend to give rise to high variance and low accuracy due to "overfitting." We cast the large-scale covariance matrix estimation problem into the Bayesian hierarchical model framework, and introduce dependency between covariance parameters. We demonstrate the advantages of our approaches over the traditional approaches using simulations and OMICS data analysis.

  19. Benefits of transactive memory systems in large-scale development

    OpenAIRE

    Aivars, Sablis

    2016-01-01

    Context. Large-scale software development projects are those consisting of a large number of teams, maybe even spread across multiple locations, and working on large and complex software tasks. That means that neither a team member individually nor an entire team holds all the knowledge about the software being developed and teams have to communicate and coordinate their knowledge. Therefore, teams and team members in large-scale software development projects must acquire and manage expertise...

  20. Capabilities of the Large-Scale Sediment Transport Facility

    Science.gov (United States)

    2016-04-01

    pump flow meters, sediment trap weigh tanks , and beach profiling lidar. A detailed discussion of the original LSTF features and capabilities can be...ERDC/CHL CHETN-I-88 April 2016 Approved for public release; distribution is unlimited. Capabilities of the Large-Scale Sediment Transport...describes the Large-Scale Sediment Transport Facility (LSTF) and recent upgrades to the measurement systems. The purpose of these upgrades was to increase

  1. Trends in large-scale testing of reactor structures

    International Nuclear Information System (INIS)

    Blejwas, T.E.

    2003-01-01

    Large-scale tests of reactor structures have been conducted at Sandia National Laboratories since the late 1970s. This paper describes a number of different large-scale impact tests, pressurization tests of models of containment structures, and thermal-pressure tests of models of reactor pressure vessels. The advantages of large-scale testing are evident, but cost, in particular limits its use. As computer models have grown in size, such as number of degrees of freedom, the advent of computer graphics has made possible very realistic representation of results - results that may not accurately represent reality. A necessary condition to avoiding this pitfall is the validation of the analytical methods and underlying physical representations. Ironically, the immensely larger computer models sometimes increase the need for large-scale testing, because the modeling is applied to increasing more complex structural systems and/or more complex physical phenomena. Unfortunately, the cost of large-scale tests is a disadvantage that will likely severely limit similar testing in the future. International collaborations may provide the best mechanism for funding future programs with large-scale tests. (author)

  2. BFAST: an alignment tool for large scale genome resequencing.

    Directory of Open Access Journals (Sweden)

    Nils Homer

    2009-11-01

    Full Text Available The new generation of massively parallel DNA sequencers, combined with the challenge of whole human genome resequencing, result in the need for rapid and accurate alignment of billions of short DNA sequence reads to a large reference genome. Speed is obviously of great importance, but equally important is maintaining alignment accuracy of short reads, in the 25-100 base range, in the presence of errors and true biological variation.We introduce a new algorithm specifically optimized for this task, as well as a freely available implementation, BFAST, which can align data produced by any of current sequencing platforms, allows for user-customizable levels of speed and accuracy, supports paired end data, and provides for efficient parallel and multi-threaded computation on a computer cluster. The new method is based on creating flexible, efficient whole genome indexes to rapidly map reads to candidate alignment locations, with arbitrary multiple independent indexes allowed to achieve robustness against read errors and sequence variants. The final local alignment uses a Smith-Waterman method, with gaps to support the detection of small indels.We compare BFAST to a selection of large-scale alignment tools -- BLAT, MAQ, SHRiMP, and SOAP -- in terms of both speed and accuracy, using simulated and real-world datasets. We show BFAST can achieve substantially greater sensitivity of alignment in the context of errors and true variants, especially insertions and deletions, and minimize false mappings, while maintaining adequate speed compared to other current methods. We show BFAST can align the amount of data needed to fully resequence a human genome, one billion reads, with high sensitivity and accuracy, on a modest computer cluster in less than 24 hours. BFAST is available at (http://bfast.sourceforge.net.

  3. Large-scale building energy efficiency retrofit: Concept, model and control

    International Nuclear Information System (INIS)

    Wu, Zhou; Wang, Bo; Xia, Xiaohua

    2016-01-01

    BEER (Building energy efficiency retrofit) projects are initiated in many nations and regions over the world. Existing studies of BEER focus on modeling and planning based on one building and one year period of retrofitting, which cannot be applied to certain large BEER projects with multiple buildings and multi-year retrofit. In this paper, the large-scale BEER problem is defined in a general TBT (time-building-technology) framework, which fits essential requirements of real-world projects. The large-scale BEER is newly studied in the control approach rather than the optimization approach commonly used before. Optimal control is proposed to design optimal retrofitting strategy in terms of maximal energy savings and maximal NPV (net present value). The designed strategy is dynamically changing on dimensions of time, building and technology. The TBT framework and the optimal control approach are verified in a large BEER project, and results indicate that promising performance of energy and cost savings can be achieved in the general TBT framework. - Highlights: • Energy efficiency retrofit of many buildings is studied. • A TBT (time-building-technology) framework is proposed. • The control system of the large-scale BEER is modeled. • The optimal retrofitting strategy is obtained.

  4. Phylogenetic distribution of large-scale genome patchiness

    Directory of Open Access Journals (Sweden)

    Hackenberg Michael

    2008-04-01

    Full Text Available Abstract Background The phylogenetic distribution of large-scale genome structure (i.e. mosaic compositional patchiness has been explored mainly by analytical ultracentrifugation of bulk DNA. However, with the availability of large, good-quality chromosome sequences, and the recently developed computational methods to directly analyze patchiness on the genome sequence, an evolutionary comparative analysis can be carried out at the sequence level. Results The local variations in the scaling exponent of the Detrended Fluctuation Analysis are used here to analyze large-scale genome structure and directly uncover the characteristic scales present in genome sequences. Furthermore, through shuffling experiments of selected genome regions, computationally-identified, isochore-like regions were identified as the biological source for the uncovered large-scale genome structure. The phylogenetic distribution of short- and large-scale patchiness was determined in the best-sequenced genome assemblies from eleven eukaryotic genomes: mammals (Homo sapiens, Pan troglodytes, Mus musculus, Rattus norvegicus, and Canis familiaris, birds (Gallus gallus, fishes (Danio rerio, invertebrates (Drosophila melanogaster and Caenorhabditis elegans, plants (Arabidopsis thaliana and yeasts (Saccharomyces cerevisiae. We found large-scale patchiness of genome structure, associated with in silico determined, isochore-like regions, throughout this wide phylogenetic range. Conclusion Large-scale genome structure is detected by directly analyzing DNA sequences in a wide range of eukaryotic chromosome sequences, from human to yeast. In all these genomes, large-scale patchiness can be associated with the isochore-like regions, as directly detected in silico at the sequence level.

  5. An efficient method based on the uniformity principle for synthesis of large-scale heat exchanger networks

    International Nuclear Information System (INIS)

    Zhang, Chunwei; Cui, Guomin; Chen, Shang

    2016-01-01

    Highlights: • Two dimensionless uniformity factors are presented to heat exchange network. • The grouping of process streams reduces the computational complexity of large-scale HENS problems. • The optimal sub-network can be obtained by Powell particle swarm optimization algorithm. • The method is illustrated by a case study involving 39 process streams, with a better solution. - Abstract: The optimal design of large-scale heat exchanger networks is a difficult task due to the inherent non-linear characteristics and the combinatorial nature of heat exchangers. To solve large-scale heat exchanger network synthesis (HENS) problems, two dimensionless uniformity factors to describe the heat exchanger network (HEN) uniformity in terms of the temperature difference and the accuracy of process stream grouping are deduced. Additionally, a novel algorithm that combines deterministic and stochastic optimizations to obtain an optimal sub-network with a suitable heat load for a given group of streams is proposed, and is named the Powell particle swarm optimization (PPSO). As a result, the synthesis of large-scale heat exchanger networks is divided into two corresponding sub-parts, namely, the grouping of process streams and the optimization of sub-networks. This approach reduces the computational complexity and increases the efficiency of the proposed method. The robustness and effectiveness of the proposed method are demonstrated by solving a large-scale HENS problem involving 39 process streams, and the results obtained are better than those previously published in the literature.

  6. Kernel optimization for short-range molecular dynamics

    Science.gov (United States)

    Hu, Changjun; Wang, Xianmeng; Li, Jianjiang; He, Xinfu; Li, Shigang; Feng, Yangde; Yang, Shaofeng; Bai, He

    2017-02-01

    To optimize short-range force computations in Molecular Dynamics (MD) simulations, multi-threading and SIMD optimizations are presented in this paper. With respect to multi-threading optimization, a Partition-and-Separate-Calculation (PSC) method is designed to avoid write conflicts caused by using Newton's third law. Serial bottlenecks are eliminated with no additional memory usage. The method is implemented by using the OpenMP model. Furthermore, the PSC method is employed on Intel Xeon Phi coprocessors in both native and offload models. We also evaluate the performance of the PSC method under different thread affinities on the MIC architecture. In the SIMD execution, we explain the performance influence in the PSC method, considering the "if-clause" of the cutoff radius check. The experiment results show that our PSC method is relatively more efficient compared to some traditional methods. In double precision, our 256-bit SIMD implementation is about 3 times faster than the scalar version.

  7. Large-scale modeling of rain fields from a rain cell deterministic model

    Science.gov (United States)

    FéRal, Laurent; Sauvageot, Henri; Castanet, Laurent; Lemorton, JoëL.; Cornet, FréDéRic; Leconte, Katia

    2006-04-01

    A methodology to simulate two-dimensional rain rate fields at large scale (1000 × 1000 km2, the scale of a satellite telecommunication beam or a terrestrial fixed broadband wireless access network) is proposed. It relies on a rain rate field cellular decomposition. At small scale (˜20 × 20 km2), the rain field is split up into its macroscopic components, the rain cells, described by the Hybrid Cell (HYCELL) cellular model. At midscale (˜150 × 150 km2), the rain field results from the conglomeration of rain cells modeled by HYCELL. To account for the rain cell spatial distribution at midscale, the latter is modeled by a doubly aggregative isotropic random walk, the optimal parameterization of which is derived from radar observations at midscale. The extension of the simulation area from the midscale to the large scale (1000 × 1000 km2) requires the modeling of the weather frontal area. The latter is first modeled by a Gaussian field with anisotropic covariance function. The Gaussian field is then turned into a binary field, giving the large-scale locations over which it is raining. This transformation requires the definition of the rain occupation rate over large-scale areas. Its probability distribution is determined from observations by the French operational radar network ARAMIS. The coupling with the rain field modeling at midscale is immediate whenever the large-scale field is split up into midscale subareas. The rain field thus generated accounts for the local CDF at each point, defining a structure spatially correlated at small scale, midscale, and large scale. It is then suggested that this approach be used by system designers to evaluate diversity gain, terrestrial path attenuation, or slant path attenuation for different azimuth and elevation angle directions.

  8. Report of the Workshop on Petascale Systems Integration for LargeScale Facilities

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, William T.C.; Walter, Howard; New, Gary; Engle, Tom; Pennington, Rob; Comes, Brad; Bland, Buddy; Tomlison, Bob; Kasdorf, Jim; Skinner, David; Regimbal, Kevin

    2007-10-01

    There are significant issues regarding Large Scale System integration that are not being addressed in other forums such as current research portfolios or vendor user groups. Unfortunately, the issues in the area of large-scale system integration often fall into a netherworld; not research, not facilities, not procurement, not operations, not user services. Taken together, these issues along with the impact of sub-optimal integration technology means the time required to deploy, integrate and stabilize large scale system may consume up to 20 percent of the useful life of such systems. Improving the state of the art for large scale systems integration has potential to increase the scientific productivity of these systems. Sites have significant expertise, but there are no easy ways to leverage this expertise among them . Many issues inhibit the sharing of information, including available time and effort, as well as issues with sharing proprietary information. Vendors also benefit in the long run from the solutions to issues detected during site testing and integration. There is a great deal of enthusiasm for making large scale system integration a full-fledged partner along with the other major thrusts supported by funding agencies in the definition, design, and use of a petascale systems. Integration technology and issues should have a full 'seat at the table' as petascale and exascale initiatives and programs are planned. The workshop attendees identified a wide range of issues and suggested paths forward. Pursuing these with funding opportunities and innovation offers the opportunity to dramatically improve the state of large scale system integration.

  9. PKI security in large-scale healthcare networks.

    Science.gov (United States)

    Mantas, Georgios; Lymberopoulos, Dimitrios; Komninos, Nikos

    2012-06-01

    During the past few years a lot of PKI (Public Key Infrastructures) infrastructures have been proposed for healthcare networks in order to ensure secure communication services and exchange of data among healthcare professionals. However, there is a plethora of challenges in these healthcare PKI infrastructures. Especially, there are a lot of challenges for PKI infrastructures deployed over large-scale healthcare networks. In this paper, we propose a PKI infrastructure to ensure security in a large-scale Internet-based healthcare network connecting a wide spectrum of healthcare units geographically distributed within a wide region. Furthermore, the proposed PKI infrastructure facilitates the trust issues that arise in a large-scale healthcare network including multi-domain PKI infrastructures.

  10. Large-Scale Agriculture and Outgrower Schemes in Ethiopia

    DEFF Research Database (Denmark)

    Wendimu, Mengistu Assefa

    , the impact of large-scale agriculture and outgrower schemes on productivity, household welfare and wages in developing countries is highly contentious. Chapter 1 of this thesis provides an introduction to the study, while also reviewing the key debate in the contemporary land ‘grabbing’ and historical large...... sugarcane outgrower scheme on household income and asset stocks. Chapter 5 examines the wages and working conditions in ‘formal’ large-scale and ‘informal’ small-scale irrigated agriculture. The results in Chapter 2 show that moisture stress, the use of untested planting materials, and conflict over land...... commands a higher wage than ‘formal’ large-scale agriculture, while rather different wage determination mechanisms exist in the two sectors. Human capital characteristics (education and experience) partly explain the differences in wages within the formal sector, but play no significant role...

  11. Seismic safety in conducting large-scale blasts

    Science.gov (United States)

    Mashukov, I. V.; Chaplygin, V. V.; Domanov, V. P.; Semin, A. A.; Klimkin, M. A.

    2017-09-01

    In mining enterprises to prepare hard rocks for excavation a drilling and blasting method is used. With the approach of mining operations to settlements the negative effect of large-scale blasts increases. To assess the level of seismic impact of large-scale blasts the scientific staff of Siberian State Industrial University carried out expertise for coal mines and iron ore enterprises. Determination of the magnitude of surface seismic vibrations caused by mass explosions was performed using seismic receivers, an analog-digital converter with recording on a laptop. The registration results of surface seismic vibrations during production of more than 280 large-scale blasts at 17 mining enterprises in 22 settlements are presented. The maximum velocity values of the Earth’s surface vibrations are determined. The safety evaluation of seismic effect was carried out according to the permissible value of vibration velocity. For cases with exceedance of permissible values recommendations were developed to reduce the level of seismic impact.

  12. Balancing modern Power System with large scale of wind power

    DEFF Research Database (Denmark)

    Basit, Abdul; Altin, Müfit; Hansen, Anca Daniela

    2014-01-01

    Power system operators must ensure robust, secure and reliable power system operation even with a large scale integration of wind power. Electricity generated from the intermittent wind in large propor-tion may impact on the control of power system balance and thus deviations in the power system...... frequency in small or islanded power systems or tie line power flows in interconnected power systems. Therefore, the large scale integration of wind power into the power system strongly concerns the secure and stable grid operation. To ensure the stable power system operation, the evolving power system has...... to be analysed with improved analytical tools and techniques. This paper proposes techniques for the active power balance control in future power systems with the large scale wind power integration, where power balancing model provides the hour-ahead dispatch plan with reduced planning horizon and the real time...

  13. The role of large scale motions on passive scalar transport

    Science.gov (United States)

    Dharmarathne, Suranga; Araya, Guillermo; Tutkun, Murat; Leonardi, Stefano; Castillo, Luciano

    2014-11-01

    We study direct numerical simulation (DNS) of turbulent channel flow at Reτ = 394 to investigate effect of large scale motions on fluctuating temperature field which forms a passive scalar field. Statistical description of the large scale features of the turbulent channel flow is obtained using two-point correlations of velocity components. Two-point correlations of fluctuating temperature field is also examined in order to identify possible similarities between velocity and temperature fields. The two-point cross-correlations betwen the velocity and temperature fluctuations are further analyzed to establish connections between these two fields. In addition, we use proper orhtogonal decompotion (POD) to extract most dominant modes of the fields and discuss the coupling of large scale features of turbulence and the temperature field.

  14. Large-Scale Structure and Hyperuniformity of Amorphous Ices

    Science.gov (United States)

    Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas; Car, Roberto

    2017-09-01

    We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of "surface-area fluctuations"). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.

  15. Large Scale Processes and Extreme Floods in Brazil

    Science.gov (United States)

    Ribeiro Lima, C. H.; AghaKouchak, A.; Lall, U.

    2016-12-01

    Persistent large scale anomalies in the atmospheric circulation and ocean state have been associated with heavy rainfall and extreme floods in water basins of different sizes across the world. Such studies have emerged in the last years as a new tool to improve the traditional, stationary based approach in flood frequency analysis and flood prediction. Here we seek to advance previous studies by evaluating the dominance of large scale processes (e.g. atmospheric rivers/moisture transport) over local processes (e.g. local convection) in producing floods. We consider flood-prone regions in Brazil as case studies and the role of large scale climate processes in generating extreme floods in such regions is explored by means of observed streamflow, reanalysis data and machine learning methods. The dynamics of the large scale atmospheric circulation in the days prior to the flood events are evaluated based on the vertically integrated moisture flux and its divergence field, which are interpreted in a low-dimensional space as obtained by machine learning techniques, particularly supervised kernel principal component analysis. In such reduced dimensional space, clusters are obtained in order to better understand the role of regional moisture recycling or teleconnected moisture in producing floods of a given magnitude. The convective available potential energy (CAPE) is also used as a measure of local convection activities. We investigate for individual sites the exceedance probability in which large scale atmospheric fluxes dominate the flood process. Finally, we analyze regional patterns of floods and how the scaling law of floods with drainage area responds to changes in the climate forcing mechanisms (e.g. local vs large scale).

  16. Report of the LASCAR forum: Large scale reprocessing plant safeguards

    International Nuclear Information System (INIS)

    1992-01-01

    This report has been prepared to provide information on the studies which were carried out from 1988 to 1992 under the auspices of the multinational forum known as Large Scale Reprocessing Plant Safeguards (LASCAR) on safeguards for four large scale reprocessing plants operated or planned to be operated in the 1990s. The report summarizes all of the essential results of these studies. The participants in LASCAR were from France, Germany, Japan, the United Kingdom, the United States of America, the Commission of the European Communities - Euratom, and the International Atomic Energy Agency

  17. Large-scale structure observables in general relativity

    International Nuclear Information System (INIS)

    Jeong, Donghui; Schmidt, Fabian

    2015-01-01

    We review recent studies that rigorously define several key observables of the large-scale structure of the Universe in a general relativistic context. Specifically, we consider (i) redshift perturbation of cosmic clock events; (ii) distortion of cosmic rulers, including weak lensing shear and magnification; and (iii) observed number density of tracers of the large-scale structure. We provide covariant and gauge-invariant expressions of these observables. Our expressions are given for a linearly perturbed flat Friedmann–Robertson–Walker metric including scalar, vector, and tensor metric perturbations. While we restrict ourselves to linear order in perturbation theory, the approach can be straightforwardly generalized to higher order. (paper)

  18. Fatigue Analysis of Large-scale Wind turbine

    Directory of Open Access Journals (Sweden)

    Zhu Yongli

    2017-01-01

    Full Text Available The paper does research on top flange fatigue damage of large-scale wind turbine generator. It establishes finite element model of top flange connection system with finite element analysis software MSC. Marc/Mentat, analyzes its fatigue strain, implements load simulation of flange fatigue working condition with Bladed software, acquires flange fatigue load spectrum with rain-flow counting method, finally, it realizes fatigue analysis of top flange with fatigue analysis software MSC. Fatigue and Palmgren-Miner linear cumulative damage theory. The analysis result indicates that its result provides new thinking for flange fatigue analysis of large-scale wind turbine generator, and possesses some practical engineering value.

  19. Generation of large-scale vortives in compressible helical turbulence

    International Nuclear Information System (INIS)

    Chkhetiani, O.G.; Gvaramadze, V.V.

    1989-01-01

    We consider generation of large-scale vortices in compressible self-gravitating turbulent medium. The closed equation describing evolution of the large-scale vortices in helical turbulence with finite correlation time is obtained. This equation has the form similar to the hydromagnetic dynamo equation, which allows us to call the vortx genertation effect the vortex dynamo. It is possible that principally the same mechanism is responsible both for amplification and maintenance of density waves and magnetic fields in gaseous disks of spiral galaxies. (author). 29 refs

  20. A new asynchronous parallel algorithm for inferring large-scale gene regulatory networks.

    Directory of Open Access Journals (Sweden)

    Xiangyun Xiao

    Full Text Available The reconstruction of gene regulatory networks (GRNs from high-throughput experimental data has been considered one of the most important issues in systems biology research. With the development of high-throughput technology and the complexity of biological problems, we need to reconstruct GRNs that contain thousands of genes. However, when many existing algorithms are used to handle these large-scale problems, they will encounter two important issues: low accuracy and high computational cost. To overcome these difficulties, the main goal of this study is to design an effective parallel algorithm to infer large-scale GRNs based on high-performance parallel computing environments. In this study, we proposed a novel asynchronous parallel framework to improve the accuracy and lower the time complexity of large-scale GRN inference by combining splitting technology and ordinary differential equation (ODE-based optimization. The presented algorithm uses the sparsity and modularity of GRNs to split whole large-scale GRNs into many small-scale modular subnetworks. Through the ODE-based optimization of all subnetworks in parallel and their asynchronous communications, we can easily obtain the parameters of the whole network. To test the performance of the proposed approach, we used well-known benchmark datasets from Dialogue for Reverse Engineering Assessments and Methods challenge (DREAM, experimentally determined GRN of Escherichia coli and one published dataset that contains more than 10 thousand genes to compare the proposed approach with several popular algorithms on the same high-performance computing environments in terms of both accuracy and time complexity. The numerical results demonstrate that our parallel algorithm exhibits obvious superiority in inferring large-scale GRNs.

  1. A new asynchronous parallel algorithm for inferring large-scale gene regulatory networks.

    Science.gov (United States)

    Xiao, Xiangyun; Zhang, Wei; Zou, Xiufen

    2015-01-01

    The reconstruction of gene regulatory networks (GRNs) from high-throughput experimental data has been considered one of the most important issues in systems biology research. With the development of high-throughput technology and the complexity of biological problems, we need to reconstruct GRNs that contain thousands of genes. However, when many existing algorithms are used to handle these large-scale problems, they will encounter two important issues: low accuracy and high computational cost. To overcome these difficulties, the main goal of this study is to design an effective parallel algorithm to infer large-scale GRNs based on high-performance parallel computing environments. In this study, we proposed a novel asynchronous parallel framework to improve the accuracy and lower the time complexity of large-scale GRN inference by combining splitting technology and ordinary differential equation (ODE)-based optimization. The presented algorithm uses the sparsity and modularity of GRNs to split whole large-scale GRNs into many small-scale modular subnetworks. Through the ODE-based optimization of all subnetworks in parallel and their asynchronous communications, we can easily obtain the parameters of the whole network. To test the performance of the proposed approach, we used well-known benchmark datasets from Dialogue for Reverse Engineering Assessments and Methods challenge (DREAM), experimentally determined GRN of Escherichia coli and one published dataset that contains more than 10 thousand genes to compare the proposed approach with several popular algorithms on the same high-performance computing environments in terms of both accuracy and time complexity. The numerical results demonstrate that our parallel algorithm exhibits obvious superiority in inferring large-scale GRNs.

  2. Large-scale Lurgi plant would be uneconomic: study group

    Energy Technology Data Exchange (ETDEWEB)

    1964-03-21

    Gas Council and National Coal Board agreed that building of large scale Lurgi plant on the basis of study is not at present acceptable on economic grounds. The committee considered that new processes based on naphtha offered more economic sources of base and peak load production. Tables listing data provided in contractors' design studies and summary of contractors' process designs are included.

  3. Origin of large-scale cell structure in the universe

    International Nuclear Information System (INIS)

    Zel'dovich, Y.B.

    1982-01-01

    A qualitative explanation is offered for the characteristic global structure of the universe, wherein ''black'' regions devoid of galaxies are surrounded on all sides by closed, comparatively thin, ''bright'' layers populated by galaxies. The interpretation rests on some very general arguments regarding the growth of large-scale perturbations in a cold gas

  4. Identification of low order models for large scale processes

    NARCIS (Netherlands)

    Wattamwar, S.K.

    2010-01-01

    Many industrial chemical processes are complex, multi-phase and large scale in nature. These processes are characterized by various nonlinear physiochemical effects and fluid flows. Such processes often show coexistence of fast and slow dynamics during their time evolutions. The increasing demand

  5. Worldwide large-scale fluctuations of sardine and anchovy ...

    African Journals Online (AJOL)

    Worldwide large-scale fluctuations of sardine and anchovy populations. ... African Journal of Marine Science. Journal Home · ABOUT THIS JOURNAL · Advanced ... Fullscreen Fullscreen Off. http://dx.doi.org/10.2989/AJMS.2008.30.1.13.463.

  6. Worldwide large-scale fluctuations of sardine and anchovy ...

    African Journals Online (AJOL)

    Worldwide large-scale fluctuations of sardine and anchovy populations. ... African Journal of Marine Science. Journal Home · ABOUT THIS JOURNAL · Advanced ... http://dx.doi.org/10.2989/AJMS.2008.30.1.13.463 · AJOL African Journals ...

  7. Large-scale coastal impact induced by a catastrophic storm

    DEFF Research Database (Denmark)

    Fruergaard, Mikkel; Andersen, Thorbjørn Joest; Johannessen, Peter N

    breaching. Our results demonstrate that violent, millennial-scale storms can trigger significant large-scale and long-term changes on barrier coasts, and that coastal changes assumed to take place over centuries or even millennia may occur in association with a single extreme storm event....

  8. Success Factors of Large Scale ERP Implementation in Thailand

    OpenAIRE

    Rotchanakitumnuai; Siriluck

    2010-01-01

    The objectives of the study are to examine the determinants of ERP implementation success factors of ERP implementation. The result indicates that large scale ERP implementation success consist of eight factors: project management competence, knowledge sharing, ERP system quality , understanding, user involvement, business process re-engineering, top management support, organization readiness.

  9. Planck intermediate results XLII. Large-scale Galactic magnetic fields

    DEFF Research Database (Denmark)

    Adam, R.; Ade, P. A. R.; Alves, M. I. R.

    2016-01-01

    Recent models for the large-scale Galactic magnetic fields in the literature have been largely constrained by synchrotron emission and Faraday rotation measures. We use three different but representative models to compare their predicted polarized synchrotron and dust emission with that measured ...

  10. Large Scale Simulations of the Euler Equations on GPU Clusters

    KAUST Repository

    Liebmann, Manfred; Douglas, Craig C.; Haase, Gundolf; Horvá th, Zoltá n

    2010-01-01

    The paper investigates the scalability of a parallel Euler solver, using the Vijayasundaram method, on a GPU cluster with 32 Nvidia Geforce GTX 295 boards. The aim of this research is to enable large scale fluid dynamics simulations with up to one

  11. Breakdown of large-scale circulation in turbulent rotating convection

    NARCIS (Netherlands)

    Kunnen, R.P.J.; Clercx, H.J.H.; Geurts, Bernardus J.

    2008-01-01

    Turbulent rotating convection in a cylinder is investigated both numerically and experimentally at Rayleigh number Ra = $10^9$ and Prandtl number $\\sigma$ = 6.4. In this Letter we discuss two topics: the breakdown under rotation of the domain-filling large-scale circulation (LSC) typical for

  12. Penalized Estimation in Large-Scale Generalized Linear Array Models

    DEFF Research Database (Denmark)

    Lund, Adam; Vincent, Martin; Hansen, Niels Richard

    2017-01-01

    Large-scale generalized linear array models (GLAMs) can be challenging to fit. Computation and storage of its tensor product design matrix can be impossible due to time and memory constraints, and previously considered design matrix free algorithms do not scale well with the dimension...

  13. A Chain Perspective on Large-scale Number Systems

    NARCIS (Netherlands)

    Grijpink, J.H.A.M.

    2012-01-01

    As large-scale number systems gain significance in social and economic life (electronic communication, remote electronic authentication), the correct functioning and the integrity of public number systems take on crucial importance. They are needed to uniquely indicate people, objects or phenomena

  14. Temporal Variation of Large Scale Flows in the Solar Interior ...

    Indian Academy of Sciences (India)

    tribpo

    Temporal Variation of Large Scale Flows in the Solar Interior. 355. Figure 2. Zonal and meridional components of the time-dependent residual velocity at a few selected depths as marked above each panel, are plotted as contours of constant velocity in the longitude-latitude plane. The left panels show the zonal component, ...

  15. Facile Large-Scale Synthesis of 5- and 6-Carboxyfluoresceins

    DEFF Research Database (Denmark)

    Hammershøj, Peter; Ek, Pramod Kumar; Harris, Pernille

    2015-01-01

    A series of fluorescein dyes have been prepared from a common precursor through a very simple synthetic procedure, giving access to important precursors for fluorescent probes. The method has proven an efficient access to regioisomerically pure 5- and 6-carboxyfluoresceins on a large scale, in good...

  16. The Large-Scale Structure of Scientific Method

    Science.gov (United States)

    Kosso, Peter

    2009-01-01

    The standard textbook description of the nature of science describes the proposal, testing, and acceptance of a theoretical idea almost entirely in isolation from other theories. The resulting model of science is a kind of piecemeal empiricism that misses the important network structure of scientific knowledge. Only the large-scale description of…

  17. Large-Scale Machine Learning for Classification and Search

    Science.gov (United States)

    Liu, Wei

    2012-01-01

    With the rapid development of the Internet, nowadays tremendous amounts of data including images and videos, up to millions or billions, can be collected for training machine learning models. Inspired by this trend, this thesis is dedicated to developing large-scale machine learning techniques for the purpose of making classification and nearest…

  18. Large scale solar district heating. Evaluation, modelling and designing - Appendices

    Energy Technology Data Exchange (ETDEWEB)

    Heller, A.

    2000-07-01

    The appendices present the following: A) Cad-drawing of the Marstal CSHP design. B) Key values - large-scale solar heating in Denmark. C) Monitoring - a system description. D) WMO-classification of pyranometers (solarimeters). E) The computer simulation model in TRNSYS. F) Selected papers from the author. (EHS)

  19. Proceedings of the meeting on large scale computer simulation research

    International Nuclear Information System (INIS)

    2004-04-01

    The meeting to summarize the collaboration activities for FY2003 on the Large Scale Computer Simulation Research was held January 15-16, 2004 at Theory and Computer Simulation Research Center, National Institute for Fusion Science. Recent simulation results, methodologies and other related topics were presented. (author)

  20. Chirping for large-scale maritime archaeological survey

    DEFF Research Database (Denmark)

    Grøn, Ole; Boldreel, Lars Ole

    2014-01-01

    Archaeological wrecks exposed on the sea floor are mapped using side-scan and multibeam techniques, whereas the detection of submerged archaeological sites, such as Stone Age settlements, and wrecks, partially or wholly embedded in sea-floor sediments, requires the application of high-resolution ...... the present state of this technology, it appears well suited to large-scale maritime archaeological mapping....

  1. Large-scale Homogenization of Bulk Materials in Mammoth Silos

    NARCIS (Netherlands)

    Schott, D.L.

    2004-01-01

    This doctoral thesis concerns the large-scale homogenization of bulk materials in mammoth silos. The objective of this research was to determine the best stacking and reclaiming method for homogenization in mammoth silos. For this purpose a simulation program was developed to estimate the

  2. Large Scale Survey Data in Career Development Research

    Science.gov (United States)

    Diemer, Matthew A.

    2008-01-01

    Large scale survey datasets have been underutilized but offer numerous advantages for career development scholars, as they contain numerous career development constructs with large and diverse samples that are followed longitudinally. Constructs such as work salience, vocational expectations, educational expectations, work satisfaction, and…

  3. Large Scale Anomalies of the Cosmic Microwave Background with Planck

    DEFF Research Database (Denmark)

    Frejsel, Anne Mette

    This thesis focuses on the large scale anomalies of the Cosmic Microwave Background (CMB) and their possible origins. The investigations consist of two main parts. The first part is on statistical tests of the CMB, and the consistency of both maps and power spectrum. We find that the Planck data...

  4. Fractals and the Large-Scale Structure in the Universe

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 4. Fractals and the Large-Scale Structure in the Universe - Is the Cosmological Principle Valid? A K Mittal T R Seshadri. General Article Volume 7 Issue 4 April 2002 pp 39-47 ...

  5. LARGE-SCALE COMMERCIAL INVESTMENTS IN LAND: SEEKING ...

    African Journals Online (AJOL)

    extent of large-scale investment in land or to assess its impact on the people in recipient countries. .... favorable lease terms, apparently based on a belief that this is necessary to .... Harm to the rights of local occupiers of land can result from a dearth. 24. ..... applies to a self-identified group based on the group's traditions.

  6. Mixing Metaphors: Building Infrastructure for Large Scale School Turnaround

    Science.gov (United States)

    Peurach, Donald J.; Neumerski, Christine M.

    2015-01-01

    The purpose of this analysis is to increase understanding of the possibilities and challenges of building educational infrastructure--the basic, foundational structures, systems, and resources--to support large-scale school turnaround. Building educational infrastructure often exceeds the capacity of schools, districts, and state education…

  7. Reconsidering Replication: New Perspectives on Large-Scale School Improvement

    Science.gov (United States)

    Peurach, Donald J.; Glazer, Joshua L.

    2012-01-01

    The purpose of this analysis is to reconsider organizational replication as a strategy for large-scale school improvement: a strategy that features a "hub" organization collaborating with "outlet" schools to enact school-wide designs for improvement. To do so, we synthesize a leading line of research on commercial replication to construct a…

  8. First Mile Challenges for Large-Scale IoT

    KAUST Repository

    Bader, Ahmed; Elsawy, Hesham; Gharbieh, Mohammad; Alouini, Mohamed-Slim; Adinoyi, Abdulkareem; Alshaalan, Furaih

    2017-01-01

    The Internet of Things is large-scale by nature. This is not only manifested by the large number of connected devices, but also by the sheer scale of spatial traffic intensity that must be accommodated, primarily in the uplink direction. To that end

  9. Technologies and challenges in large-scale phosphoproteomics

    DEFF Research Database (Denmark)

    Engholm-Keller, Kasper; Larsen, Martin Røssel

    2013-01-01

    become the main technique for discovery and characterization of phosphoproteins in a nonhypothesis driven fashion. In this review, we describe methods for state-of-the-art MS-based analysis of protein phosphorylation as well as the strategies employed in large-scale phosphoproteomic experiments...... with focus on the various challenges and limitations this field currently faces....

  10. Solving Large Scale Crew Scheduling Problems in Practice

    NARCIS (Netherlands)

    E.J.W. Abbink (Erwin); L. Albino; T.A.B. Dollevoet (Twan); D. Huisman (Dennis); J. Roussado; R.L. Saldanha

    2010-01-01

    textabstractThis paper deals with large-scale crew scheduling problems arising at the Dutch railway operator, Netherlands Railways (NS). NS operates about 30,000 trains a week. All these trains need a driver and a certain number of guards. Some labor rules restrict the duties of a certain crew base

  11. The large scale microwave background anisotropy in decaying particle cosmology

    International Nuclear Information System (INIS)

    Panek, M.

    1987-06-01

    We investigate the large-scale anisotropy of the microwave background radiation in cosmological models with decaying particles. The observed value of the quadrupole moment combined with other constraints gives an upper limit on the redshift of the decay z/sub d/ < 3-5. 12 refs., 2 figs

  12. Dual Decomposition for Large-Scale Power Balancing

    DEFF Research Database (Denmark)

    Halvgaard, Rasmus; Jørgensen, John Bagterp; Vandenberghe, Lieven

    2013-01-01

    Dual decomposition is applied to power balancing of exible thermal storage units. The centralized large-scale problem is decomposed into smaller subproblems and solved locallyby each unit in the Smart Grid. Convergence is achieved by coordinating the units consumption through a negotiation...

  13. Evaluation of Large-scale Public Sector Reforms

    DEFF Research Database (Denmark)

    Breidahl, Karen Nielsen; Gjelstrup, Gunnar; Hansen, Hanne Foss

    2017-01-01

    and more delimited policy areas take place. In our analysis we apply four governance perspectives (rational-instrumental, rational-interest based, institutional-cultural and a chaos perspective) in a comparative analysis of the evaluations of two large-scale public sector reforms in Denmark and Norway. We...

  14. Factors Influencing Uptake of a Large Scale Curriculum Innovation.

    Science.gov (United States)

    Adey, Philip S.

    Educational research has all too often failed to be implemented on a large-scale basis. This paper describes the multiplier effect of a professional development program for teachers and for trainers in the United Kingdom, and how that program was developed, monitored, and evaluated. Cognitive Acceleration through Science Education (CASE) is a…

  15. ability in Large Scale Land Acquisitions in Kenya

    International Development Research Centre (IDRC) Digital Library (Canada)

    Corey Piccioni

    Kenya's national planning strategy, Vision 2030. Agri- culture, natural resource exploitation, and infrastruc- ... sitions due to high levels of poverty and unclear or in- secure land tenure rights in Kenya. Inadequate social ... lease to a private company over the expansive Yala. Swamp to undertake large-scale irrigation farming.

  16. New Visions for Large Scale Networks: Research and Applications

    Data.gov (United States)

    Networking and Information Technology Research and Development, Executive Office of the President — This paper documents the findings of the March 12-14, 2001 Workshop on New Visions for Large-Scale Networks: Research and Applications. The workshops objectives were...

  17. Large-scale silviculture experiments of western Oregon and Washington.

    Science.gov (United States)

    Nathan J. Poage; Paul D. Anderson

    2007-01-01

    We review 12 large-scale silviculture experiments (LSSEs) in western Washington and Oregon with which the Pacific Northwest Research Station of the USDA Forest Service is substantially involved. We compiled and arrayed information about the LSSEs as a series of matrices in a relational database, which is included on the compact disc published with this report and...

  18. Participatory Design and the Challenges of Large-Scale Systems

    DEFF Research Database (Denmark)

    Simonsen, Jesper; Hertzum, Morten

    2008-01-01

    With its 10th biannual anniversary conference, Participatory Design (PD) is leaving its teens and must now be considered ready to join the adult world. In this article we encourage the PD community to think big: PD should engage in large-scale information-systems development and opt for a PD...

  19. Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

    Directory of Open Access Journals (Sweden)

    Renata De Paris

    2015-01-01

    Full Text Available Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

  20. A Matter of Time: Faster Percolator Analysis via Efficient SVM Learning for Large-Scale Proteomics.

    Science.gov (United States)

    Halloran, John T; Rocke, David M

    2018-05-04

    Percolator is an important tool for greatly improving the results of a database search and subsequent downstream analysis. Using support vector machines (SVMs), Percolator recalibrates peptide-spectrum matches based on the learned decision boundary between targets and decoys. To improve analysis time for large-scale data sets, we update Percolator's SVM learning engine through software and algorithmic optimizations rather than heuristic approaches that necessitate the careful study of their impact on learned parameters across different search settings and data sets. We show that by optimizing Percolator's original learning algorithm, l 2 -SVM-MFN, large-scale SVM learning requires nearly only a third of the original runtime. Furthermore, we show that by employing the widely used Trust Region Newton (TRON) algorithm instead of l 2 -SVM-MFN, large-scale Percolator SVM learning is reduced to nearly only a fifth of the original runtime. Importantly, these speedups only affect the speed at which Percolator converges to a global solution and do not alter recalibration performance. The upgraded versions of both l 2 -SVM-MFN and TRON are optimized within the Percolator codebase for multithreaded and single-thread use and are available under Apache license at bitbucket.org/jthalloran/percolator_upgrade .

  1. Genomic divergences among cattle, dog and human estimated from large-scale alignments of genomic sequences

    Directory of Open Access Journals (Sweden)

    Shade Larry L

    2006-06-01

    Full Text Available Abstract Background Approximately 11 Mb of finished high quality genomic sequences were sampled from cattle, dog and human to estimate genomic divergences and their regional variation among these lineages. Results Optimal three-way multi-species global sequence alignments for 84 cattle clones or loci (each >50 kb of genomic sequence were constructed using the human and dog genome assemblies as references. Genomic divergences and substitution rates were examined for each clone and for various sequence classes under different functional constraints. Analysis of these alignments revealed that the overall genomic divergences are relatively constant (0.32–0.37 change/site for pairwise comparisons among cattle, dog and human; however substitution rates vary across genomic regions and among different sequence classes. A neutral mutation rate (2.0–2.2 × 10(-9 change/site/year was derived from ancestral repetitive sequences, whereas the substitution rate in coding sequences (1.1 × 10(-9 change/site/year was approximately half of the overall rate (1.9–2.0 × 10(-9 change/site/year. Relative rate tests also indicated that cattle have a significantly faster rate of substitution as compared to dog and that this difference is about 6%. Conclusion This analysis provides a large-scale and unbiased assessment of genomic divergences and regional variation of substitution rates among cattle, dog and human. It is expected that these data will serve as a baseline for future mammalian molecular evolution studies.

  2. Control Algorithms for Large-scale Single-axis Photovoltaic Trackers

    Directory of Open Access Journals (Sweden)

    Dorian Schneider

    2012-01-01

    Full Text Available The electrical yield of large-scale photovoltaic power plants can be greatly improved by employing solar trackers. While fixed-tilt superstructures are stationary and immobile, trackers move the PV-module plane in order to optimize its alignment to the sun. This paper introduces control algorithms for single-axis trackers (SAT, including a discussion for optimal alignment and backtracking. The results are used to simulate and compare the electrical yield of fixed-tilt and SAT systems. The proposed algorithms have been field tested, and are in operation in solar parks worldwide.

  3. Scheduling of power generation a large-scale mixed-variable model

    CERN Document Server

    Prékopa, András; Strazicky, Beáta; Deák, István; Hoffer, János; Németh, Ágoston; Potecz, Béla

    2014-01-01

    The book contains description of a real life application of modern mathematical optimization tools in an important problem solution for power networks. The objective is the modelling and calculation of optimal daily scheduling of power generation, by thermal power plants,  to satisfy all demands at minimum cost, in such a way that the  generation and transmission capacities as well as the demands at the nodes of the system appear in an integrated form. The physical parameters of the network are also taken into account. The obtained large-scale mixed variable problem is relaxed in a smart, practical way, to allow for fast numerical solution of the problem.

  4. Large-Scale Sequencing: The Future of Genomic Sciences Colloquium

    Energy Technology Data Exchange (ETDEWEB)

    Margaret Riley; Merry Buckley

    2009-01-01

    Genetic sequencing and the various molecular techniques it has enabled have revolutionized the field of microbiology. Examining and comparing the genetic sequences borne by microbes - including bacteria, archaea, viruses, and microbial eukaryotes - provides researchers insights into the processes microbes carry out, their pathogenic traits, and new ways to use microorganisms in medicine and manufacturing. Until recently, sequencing entire microbial genomes has been laborious and expensive, and the decision to sequence the genome of an organism was made on a case-by-case basis by individual researchers and funding agencies. Now, thanks to new technologies, the cost and effort of sequencing is within reach for even the smallest facilities, and the ability to sequence the genomes of a significant fraction of microbial life may be possible. The availability of numerous microbial genomes will enable unprecedented insights into microbial evolution, function, and physiology. However, the current ad hoc approach to gathering sequence data has resulted in an unbalanced and highly biased sampling of microbial diversity. A well-coordinated, large-scale effort to target the breadth and depth of microbial diversity would result in the greatest impact. The American Academy of Microbiology convened a colloquium to discuss the scientific benefits of engaging in a large-scale, taxonomically-based sequencing project. A group of individuals with expertise in microbiology, genomics, informatics, ecology, and evolution deliberated on the issues inherent in such an effort and generated a set of specific recommendations for how best to proceed. The vast majority of microbes are presently uncultured and, thus, pose significant challenges to such a taxonomically-based approach to sampling genome diversity. However, we have yet to even scratch the surface of the genomic diversity among cultured microbes. A coordinated sequencing effort of cultured organisms is an appropriate place to begin

  5. GAIA: A WINDOW TO LARGE-SCALE MOTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Nusser, Adi [Physics Department and the Asher Space Science Institute-Technion, Haifa 32000 (Israel); Branchini, Enzo [Department of Physics, Universita Roma Tre, Via della Vasca Navale 84, 00146 Rome (Italy); Davis, Marc, E-mail: adi@physics.technion.ac.il, E-mail: branchin@fis.uniroma3.it, E-mail: mdavis@berkeley.edu [Departments of Astronomy and Physics, University of California, Berkeley, CA 94720 (United States)

    2012-08-10

    Using redshifts as a proxy for galaxy distances, estimates of the two-dimensional (2D) transverse peculiar velocities of distant galaxies could be obtained from future measurements of proper motions. We provide the mathematical framework for analyzing 2D transverse motions and show that they offer several advantages over traditional probes of large-scale motions. They are completely independent of any intrinsic relations between galaxy properties; hence, they are essentially free of selection biases. They are free from homogeneous and inhomogeneous Malmquist biases that typically plague distance indicator catalogs. They provide additional information to traditional probes that yield line-of-sight peculiar velocities only. Further, because of their 2D nature, fundamental questions regarding vorticity of large-scale flows can be addressed. Gaia, for example, is expected to provide proper motions of at least bright galaxies with high central surface brightness, making proper motions a likely contender for traditional probes based on current and future distance indicator measurements.

  6. Large-scale innovation and change in UK higher education

    Directory of Open Access Journals (Sweden)

    Stephen Brown

    2013-09-01

    Full Text Available This paper reflects on challenges universities face as they respond to change. It reviews current theories and models of change management, discusses why universities are particularly difficult environments in which to achieve large scale, lasting change and reports on a recent attempt by the UK JISC to enable a range of UK universities to employ technology to deliver such changes. Key lessons that emerged from these experiences are reviewed covering themes of pervasiveness, unofficial systems, project creep, opposition, pressure to deliver, personnel changes and technology issues. The paper argues that collaborative approaches to project management offer greater prospects of effective large-scale change in universities than either management-driven top-down or more champion-led bottom-up methods. It also argues that while some diminution of control over project outcomes is inherent in this approach, this is outweighed by potential benefits of lasting and widespread adoption of agreed changes.

  7. Measuring Cosmic Expansion and Large Scale Structure with Destiny

    Science.gov (United States)

    Benford, Dominic J.; Lauer, Tod R.

    2007-01-01

    Destiny is a simple, direct, low cost mission to determine the properties of dark energy by obtaining a cosmologically deep supernova (SN) type Ia Hubble diagram and by measuring the large-scale mass power spectrum over time. Its science instrument is a 1.65m space telescope, featuring a near-infrared survey camera/spectrometer with a large field of view. During its first two years, Destiny will detect, observe, and characterize 23000 SN Ia events over the redshift interval 0.4Destiny will be used in its third year as a high resolution, wide-field imager to conduct a weak lensing survey covering >lo00 square degrees to measure the large-scale mass power spectrum. The combination of surveys is much more powerful than either technique on its own, and will have over an order of magnitude greater sensitivity than will be provided by ongoing ground-based projects.

  8. Volume measurement study for large scale input accountancy tank

    International Nuclear Information System (INIS)

    Uchikoshi, Seiji; Watanabe, Yuichi; Tsujino, Takeshi

    1999-01-01

    Large Scale Tank Calibration (LASTAC) facility, including an experimental tank which has the same volume and structure as the input accountancy tank of Rokkasho Reprocessing Plant (RRP) was constructed in Nuclear Material Control Center of Japan. Demonstration experiments have been carried out to evaluate a precision of solution volume measurement and to establish the procedure of highly accurate pressure measurement for a large scale tank with dip-tube bubbler probe system to be applied to the input accountancy tank of RRP. Solution volume in a tank is determined from substitution the solution level for the calibration function obtained in advance, which express a relation between the solution level and its volume in the tank. Therefore, precise solution volume measurement needs a precise calibration function that is determined carefully. The LASTAC calibration experiments using pure water showed good result in reproducibility. (J.P.N.)

  9. Prototype Vector Machine for Large Scale Semi-Supervised Learning

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai; Kwok, James T.; Parvin, Bahram

    2009-04-29

    Practicaldataminingrarelyfalls exactlyinto the supervisedlearning scenario. Rather, the growing amount of unlabeled data poses a big challenge to large-scale semi-supervised learning (SSL). We note that the computationalintensivenessofgraph-based SSLarises largely from the manifold or graph regularization, which in turn lead to large models that are dificult to handle. To alleviate this, we proposed the prototype vector machine (PVM), a highlyscalable,graph-based algorithm for large-scale SSL. Our key innovation is the use of"prototypes vectors" for effcient approximation on both the graph-based regularizer and model representation. The choice of prototypes are grounded upon two important criteria: they not only perform effective low-rank approximation of the kernel matrix, but also span a model suffering the minimum information loss compared with the complete model. We demonstrate encouraging performance and appealing scaling properties of the PVM on a number of machine learning benchmark data sets.

  10. Large-scale influences in near-wall turbulence.

    Science.gov (United States)

    Hutchins, Nicholas; Marusic, Ivan

    2007-03-15

    Hot-wire data acquired in a high Reynolds number facility are used to illustrate the need for adequate scale separation when considering the coherent structure in wall-bounded turbulence. It is found that a large-scale motion in the log region becomes increasingly comparable in energy to the near-wall cycle as the Reynolds number increases. Through decomposition of fluctuating velocity signals, it is shown that this large-scale motion has a distinct modulating influence on the small-scale energy (akin to amplitude modulation). Reassessment of DNS data, in light of these results, shows similar trends, with the rate and intensity of production due to the near-wall cycle subject to a modulating influence from the largest-scale motions.

  11. First Mile Challenges for Large-Scale IoT

    KAUST Repository

    Bader, Ahmed

    2017-03-16

    The Internet of Things is large-scale by nature. This is not only manifested by the large number of connected devices, but also by the sheer scale of spatial traffic intensity that must be accommodated, primarily in the uplink direction. To that end, cellular networks are indeed a strong first mile candidate to accommodate the data tsunami to be generated by the IoT. However, IoT devices are required in the cellular paradigm to undergo random access procedures as a precursor to resource allocation. Such procedures impose a major bottleneck that hinders cellular networks\\' ability to support large-scale IoT. In this article, we shed light on the random access dilemma and present a case study based on experimental data as well as system-level simulations. Accordingly, a case is built for the latent need to revisit random access procedures. A call for action is motivated by listing a few potential remedies and recommendations.

  12. Cosmic ray acceleration by large scale galactic shocks

    International Nuclear Information System (INIS)

    Cesarsky, C.J.; Lagage, P.O.

    1987-01-01

    The mechanism of diffusive shock acceleration may account for the existence of galactic cosmic rays detailed application to stellar wind shocks and especially to supernova shocks have been developed. Existing models can usually deal with the energetics or the spectral slope, but the observed energy range of cosmic rays is not explained. Therefore it seems worthwhile to examine the effect that large scale, long-lived galactic shocks may have on galactic cosmic rays, in the frame of the diffusive shock acceleration mechanism. Large scale fast shocks can only be expected to exist in the galactic halo. We consider three situations where they may arise: expansion of a supernova shock in the halo, galactic wind, galactic infall; and discuss the possible existence of these shocks and their role in accelerating cosmic rays

  13. Efficient algorithms for collaborative decision making for large scale settings

    DEFF Research Database (Denmark)

    Assent, Ira

    2011-01-01

    to bring about more effective and more efficient retrieval systems that support the users' decision making process. We sketch promising research directions for more efficient algorithms for collaborative decision making, especially for large scale systems.......Collaborative decision making is a successful approach in settings where data analysis and querying can be done interactively. In large scale systems with huge data volumes or many users, collaboration is often hindered by impractical runtimes. Existing work on improving collaboration focuses...... on avoiding redundancy for users working on the same task. While this improves the effectiveness of the user work process, the underlying query processing engine is typically considered a "black box" and left unchanged. Research in multiple query processing, on the other hand, ignores the application...

  14. Lagrangian space consistency relation for large scale structure

    International Nuclear Information System (INIS)

    Horn, Bart; Hui, Lam; Xiao, Xiao

    2015-01-01

    Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias and Riotto and Peloso and Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present. The simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space

  15. The Large-scale Effect of Environment on Galactic Conformity

    Science.gov (United States)

    Sun, Shuangpeng; Guo, Qi; Wang, Lan; Wang, Jie; Gao, Liang; Lacey, Cedric G.; Pan, Jun

    2018-04-01

    We use a volume-limited galaxy sample from the SDSS Data Release 7 to explore the dependence of galactic conformity on the large-scale environment, measured on ˜ 4 Mpc scales. We find that the star formation activity of neighbour galaxies depends more strongly on the environment than on the activity of their primary galaxies. In under-dense regions most neighbour galaxies tend to be active, while in over-dense regions neighbour galaxies are mostly passive, regardless of the activity of their primary galaxies. At a given stellar mass, passive primary galaxies reside in higher density regions than active primary galaxies, leading to the apparently strong conformity signal. The dependence of the activity of neighbour galaxies on environment can be explained by the corresponding dependence of the fraction of satellite galaxies. Similar results are found for galaxies in a semi-analytical model, suggesting that no new physics is required to explain the observed large-scale conformity.

  16. Electron drift in a large scale solid xenon

    International Nuclear Information System (INIS)

    Yoo, J.; Jaskierny, W.F.

    2015-01-01

    A study of charge drift in a large scale optically transparent solid xenon is reported. A pulsed high power xenon light source is used to liberate electrons from a photocathode. The drift speeds of the electrons are measured using a 8.7 cm long electrode in both the liquid and solid phase of xenon. In the liquid phase (163 K), the drift speed is 0.193 ± 0.003 cm/μs while the drift speed in the solid phase (157 K) is 0.397 ± 0.006 cm/μs at 900 V/cm over 8.0 cm of uniform electric fields. Therefore, it is demonstrated that a factor two faster electron drift speed in solid phase xenon compared to that in liquid in a large scale solid xenon

  17. Active power reserves evaluation in large scale PVPPs

    DEFF Research Database (Denmark)

    Crăciun, Bogdan-Ionut; Kerekes, Tamas; Sera, Dezso

    2013-01-01

    The present trend on investing in renewable ways of producing electricity in the detriment of conventional fossil fuel-based plants will lead to a certain point where these plants have to provide ancillary services and contribute to overall grid stability. Photovoltaic (PV) power has the fastest...... growth among all renewable energies and managed to reach high penetration levels creating instabilities which at the moment are corrected by the conventional generation. This paradigm will change in the future scenarios where most of the power is supplied by large scale renewable plants and parts...... of the ancillary services have to be shared by the renewable plants. The main focus of the proposed paper is to technically and economically analyze the possibility of having active power reserves in large scale PV power plants (PVPPs) without any auxiliary storage equipment. The provided reserves should...

  18. Real-time simulation of large-scale floods

    Science.gov (United States)

    Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.

    2016-08-01

    According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.

  19. Some Statistics for Measuring Large-Scale Structure

    OpenAIRE

    Brandenberger, Robert H.; Kaplan, David M.; A, Stephen; Ramsey

    1993-01-01

    Good statistics for measuring large-scale structure in the Universe must be able to distinguish between different models of structure formation. In this paper, two and three dimensional ``counts in cell" statistics and a new ``discrete genus statistic" are applied to toy versions of several popular theories of structure formation: random phase cold dark matter model, cosmic string models, and global texture scenario. All three statistics appear quite promising in terms of differentiating betw...

  20. Foundations of Large-Scale Multimedia Information Management and Retrieval

    CERN Document Server

    Chang, Edward Y

    2011-01-01

    "Foundations of Large-Scale Multimedia Information Management and Retrieval - Mathematics of Perception" covers knowledge representation and semantic analysis of multimedia data and scalability in signal extraction, data mining, and indexing. The book is divided into two parts: Part I - Knowledge Representation and Semantic Analysis focuses on the key components of mathematics of perception as it applies to data management and retrieval. These include feature selection/reduction, knowledge representation, semantic analysis, distance function formulation for measuring similarity, and

  1. PKI security in large-scale healthcare networks

    OpenAIRE

    Mantas, G.; Lymberopoulos, D.; Komninos, N.

    2012-01-01

    During the past few years a lot of PKI (Public Key Infrastructures) infrastructures have been proposed for healthcare networks in order to ensure secure communication services and exchange of data among healthcare professionals. However, there is a plethora of challenges in these healthcare PKI infrastructures. Especially, there are a lot of challenges for PKI infrastructures deployed over large-scale healthcare networks. In this paper, we propose a PKI infrastructure to ensure security in a ...

  2. Experimental simulation of microinteractions in large scale explosions

    Energy Technology Data Exchange (ETDEWEB)

    Chen, X.; Luo, R.; Yuen, W.W.; Theofanous, T.G. [California Univ., Santa Barbara, CA (United States). Center for Risk Studies and Safety

    1998-01-01

    This paper presents data and analysis of recent experiments conducted in the SIGMA-2000 facility to simulate microinteractions in large scale explosions. Specifically, the fragmentation behavior of a high temperature molten steel drop under high pressure (beyond critical) conditions are investigated. The current data demonstrate, for the first time, the effect of high pressure in suppressing the thermal effect of fragmentation under supercritical conditions. The results support the microinteractions idea, and the ESPROSE.m prediction of fragmentation rate. (author)

  3. Large-scale motions in the universe: a review

    International Nuclear Information System (INIS)

    Burstein, D.

    1990-01-01

    The expansion of the universe can be retarded in localised regions within the universe both by the presence of gravity and by non-gravitational motions generated in the post-recombination universe. The motions of galaxies thus generated are called 'peculiar motions', and the amplitudes, size scales and coherence of these peculiar motions are among the most direct records of the structure of the universe. As such, measurements of these properties of the present-day universe provide some of the severest tests of cosmological theories. This is a review of the current evidence for large-scale motions of galaxies out to a distance of ∼5000 km s -1 (in an expanding universe, distance is proportional to radial velocity). 'Large-scale' in this context refers to motions that are correlated over size scales larger than the typical sizes of groups of galaxies, up to and including the size of the volume surveyed. To orient the reader into this relatively new field of study, a short modern history is given together with an explanation of the terminology. Careful consideration is given to the data used to measure the distances, and hence the peculiar motions, of galaxies. The evidence for large-scale motions is presented in a graphical fashion, using only the most reliable data for galaxies spanning a wide range in optical properties and over the complete range of galactic environments. The kinds of systematic errors that can affect this analysis are discussed, and the reliability of these motions is assessed. The predictions of two models of large-scale motion are compared to the observations, and special emphasis is placed on those motions in which our own Galaxy directly partakes. (author)

  4. A Classification Framework for Large-Scale Face Recognition Systems

    OpenAIRE

    Zhou, Ziheng; Deravi, Farzin

    2009-01-01

    This paper presents a generic classification framework for large-scale face recognition systems. Within the framework, a data sampling strategy is proposed to tackle the data imbalance when image pairs are sampled from thousands of face images for preparing a training dataset. A modified kernel Fisher discriminant classifier is proposed to make it computationally feasible to train the kernel-based classification method using tens of thousands of training samples. The framework is tested in an...

  5. Large Scale Visual Recommendations From Street Fashion Images

    OpenAIRE

    Jagadeesh, Vignesh; Piramuthu, Robinson; Bhardwaj, Anurag; Di, Wei; Sundaresan, Neel

    2014-01-01

    We describe a completely automated large scale visual recommendation system for fashion. Our focus is to efficiently harness the availability of large quantities of online fashion images and their rich meta-data. Specifically, we propose four data driven models in the form of Complementary Nearest Neighbor Consensus, Gaussian Mixture Models, Texture Agnostic Retrieval and Markov Chain LDA for solving this problem. We analyze relative merits and pitfalls of these algorithms through extensive e...

  6. Design study on sodium cooled large-scale reactor

    International Nuclear Information System (INIS)

    Murakami, Tsutomu; Hishida, Masahiko; Kisohara, Naoyuki

    2004-07-01

    In Phase 1 of the 'Feasibility Studies on Commercialized Fast Reactor Cycle Systems (F/S)', an advanced loop type reactor has been selected as a promising concept of sodium-cooled large-scale reactor, which has a possibility to fulfill the design requirements of the F/S. In Phase 2, design improvement for further cost reduction of establishment of the plant concept has been performed. This report summarizes the results of the design study on the sodium-cooled large-scale reactor performed in JFY2003, which is the third year of Phase 2. In the JFY2003 design study, critical subjects related to safety, structural integrity and thermal hydraulics which found in the last fiscal year has been examined and the plant concept has been modified. Furthermore, fundamental specifications of main systems and components have been set and economy has been evaluated. In addition, as the interim evaluation of the candidate concept of the FBR fuel cycle is to be conducted, cost effectiveness and achievability for the development goal were evaluated and the data of the three large-scale reactor candidate concepts were prepared. As a results of this study, the plant concept of the sodium-cooled large-scale reactor has been constructed, which has a prospect to satisfy the economic goal (construction cost: less than 200,000 yens/kWe, etc.) and has a prospect to solve the critical subjects. From now on, reflecting the results of elemental experiments, the preliminary conceptual design of this plant will be preceded toward the selection for narrowing down candidate concepts at the end of Phase 2. (author)

  7. Design study on sodium-cooled large-scale reactor

    International Nuclear Information System (INIS)

    Shimakawa, Yoshio; Nibe, Nobuaki; Hori, Toru

    2002-05-01

    In Phase 1 of the 'Feasibility Study on Commercialized Fast Reactor Cycle Systems (F/S)', an advanced loop type reactor has been selected as a promising concept of sodium-cooled large-scale reactor, which has a possibility to fulfill the design requirements of the F/S. In Phase 2 of the F/S, it is planed to precede a preliminary conceptual design of a sodium-cooled large-scale reactor based on the design of the advanced loop type reactor. Through the design study, it is intended to construct such a plant concept that can show its attraction and competitiveness as a commercialized reactor. This report summarizes the results of the design study on the sodium-cooled large-scale reactor performed in JFY2001, which is the first year of Phase 2. In the JFY2001 design study, a plant concept has been constructed based on the design of the advanced loop type reactor, and fundamental specifications of main systems and components have been set. Furthermore, critical subjects related to safety, structural integrity, thermal hydraulics, operability, maintainability and economy have been examined and evaluated. As a result of this study, the plant concept of the sodium-cooled large-scale reactor has been constructed, which has a prospect to satisfy the economic goal (construction cost: less than 200,000yens/kWe, etc.) and has a prospect to solve the critical subjects. From now on, reflecting the results of elemental experiments, the preliminary conceptual design of this plant will be preceded toward the selection for narrowing down candidate concepts at the end of Phase 2. (author)

  8. NASA: Assessments of Selected Large-Scale Projects

    Science.gov (United States)

    2011-03-01

    REPORT DATE MAR 2011 2. REPORT TYPE 3. DATES COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE Assessments Of Selected Large-Scale Projects...Volatile EvolutioN MEP Mars Exploration Program MIB Mishap Investigation Board MMRTG Multi Mission Radioisotope Thermoelectric Generator MMS Magnetospheric...probes designed to explore the Martian surface, to satellites equipped with advanced sensors to study the earth , to telescopes intended to explore the

  9. Perturbation theory instead of large scale shell model calculations

    International Nuclear Information System (INIS)

    Feldmeier, H.; Mankos, P.

    1977-01-01

    Results of large scale shell model calculations for (sd)-shell nuclei are compared with a perturbation theory provides an excellent approximation when the SU(3)-basis is used as a starting point. The results indicate that perturbation theory treatment in an SU(3)-basis including 2hω excitations should be preferable to a full diagonalization within the (sd)-shell. (orig.) [de

  10. Primordial large-scale electromagnetic fields from gravitoelectromagnetic inflation

    Energy Technology Data Exchange (ETDEWEB)

    Membiela, Federico Agustin [Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Funes 3350, (7600) Mar del Plata (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina)], E-mail: membiela@mdp.edu.ar; Bellini, Mauricio [Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Funes 3350, (7600) Mar del Plata (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina)], E-mail: mbellini@mdp.edu.ar

    2009-04-20

    We investigate the origin and evolution of primordial electric and magnetic fields in the early universe, when the expansion is governed by a cosmological constant {lambda}{sub 0}. Using the gravitoelectromagnetic inflationary formalism with A{sub 0}=0, we obtain the power of spectrums for large-scale magnetic fields and the inflaton field fluctuations during inflation. A very important fact is that our formalism is naturally non-conformally invariant.

  11. Primordial large-scale electromagnetic fields from gravitoelectromagnetic inflation

    Science.gov (United States)

    Membiela, Federico Agustín; Bellini, Mauricio

    2009-04-01

    We investigate the origin and evolution of primordial electric and magnetic fields in the early universe, when the expansion is governed by a cosmological constant Λ0. Using the gravitoelectromagnetic inflationary formalism with A0 = 0, we obtain the power of spectrums for large-scale magnetic fields and the inflaton field fluctuations during inflation. A very important fact is that our formalism is naturally non-conformally invariant.

  12. Primordial large-scale electromagnetic fields from gravitoelectromagnetic inflation

    International Nuclear Information System (INIS)

    Membiela, Federico Agustin; Bellini, Mauricio

    2009-01-01

    We investigate the origin and evolution of primordial electric and magnetic fields in the early universe, when the expansion is governed by a cosmological constant Λ 0 . Using the gravitoelectromagnetic inflationary formalism with A 0 =0, we obtain the power of spectrums for large-scale magnetic fields and the inflaton field fluctuations during inflation. A very important fact is that our formalism is naturally non-conformally invariant.

  13. Rotation invariant fast features for large-scale recognition

    Science.gov (United States)

    Takacs, Gabriel; Chandrasekhar, Vijay; Tsai, Sam; Chen, David; Grzeszczuk, Radek; Girod, Bernd

    2012-10-01

    We present an end-to-end feature description pipeline which uses a novel interest point detector and Rotation- Invariant Fast Feature (RIFF) descriptors. The proposed RIFF algorithm is 15× faster than SURF1 while producing large-scale retrieval results that are comparable to SIFT.2 Such high-speed features benefit a range of applications from Mobile Augmented Reality (MAR) to web-scale image retrieval and analysis.

  14. Concurrent Programming Using Actors: Exploiting Large-Scale Parallelism,

    Science.gov (United States)

    1985-10-07

    ORGANIZATION NAME AND ADDRESS 10. PROGRAM ELEMENT. PROJECT. TASK* Artificial Inteligence Laboratory AREA Is WORK UNIT NUMBERS 545 Technology Square...D-R162 422 CONCURRENT PROGRMMIZNG USING f"OS XL?ITP TEH l’ LARGE-SCALE PARALLELISH(U) NASI AC E Al CAMBRIDGE ARTIFICIAL INTELLIGENCE L. G AGHA ET AL...RESOLUTION TEST CHART N~ATIONAL BUREAU OF STANDA.RDS - -96 A -E. __ _ __ __’ .,*- - -- •. - MASSACHUSETTS INSTITUTE OF TECHNOLOGY ARTIFICIAL

  15. On a Game of Large-Scale Projects Competition

    Science.gov (United States)

    Nikonov, Oleg I.; Medvedeva, Marina A.

    2009-09-01

    The paper is devoted to game-theoretical control problems motivated by economic decision making situations arising in realization of large-scale projects, such as designing and putting into operations the new gas or oil pipelines. A non-cooperative two player game is considered with payoff functions of special type for which standard existence theorems and algorithms for searching Nash equilibrium solutions are not applicable. The paper is based on and develops the results obtained in [1]-[5].

  16. The Phoenix series large scale LNG pool fire experiments.

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, Richard B.; Jensen, Richard Pearson; Demosthenous, Byron; Luketa, Anay Josephine; Ricks, Allen Joseph; Hightower, Marion Michael; Blanchat, Thomas K.; Helmick, Paul H.; Tieszen, Sheldon Robert; Deola, Regina Anne; Mercier, Jeffrey Alan; Suo-Anttila, Jill Marie; Miller, Timothy J.

    2010-12-01

    The increasing demand for natural gas could increase the number and frequency of Liquefied Natural Gas (LNG) tanker deliveries to ports across the United States. Because of the increasing number of shipments and the number of possible new facilities, concerns about the potential safety of the public and property from an accidental, and even more importantly intentional spills, have increased. While improvements have been made over the past decade in assessing hazards from LNG spills, the existing experimental data is much smaller in size and scale than many postulated large accidental and intentional spills. Since the physics and hazards from a fire change with fire size, there are concerns about the adequacy of current hazard prediction techniques for large LNG spills and fires. To address these concerns, Congress funded the Department of Energy (DOE) in 2008 to conduct a series of laboratory and large-scale LNG pool fire experiments at Sandia National Laboratories (Sandia) in Albuquerque, New Mexico. This report presents the test data and results of both sets of fire experiments. A series of five reduced-scale (gas burner) tests (yielding 27 sets of data) were conducted in 2007 and 2008 at Sandia's Thermal Test Complex (TTC) to assess flame height to fire diameter ratios as a function of nondimensional heat release rates for extrapolation to large-scale LNG fires. The large-scale LNG pool fire experiments were conducted in a 120 m diameter pond specially designed and constructed in Sandia's Area III large-scale test complex. Two fire tests of LNG spills of 21 and 81 m in diameter were conducted in 2009 to improve the understanding of flame height, smoke production, and burn rate and therefore the physics and hazards of large LNG spills and fires.

  17. Large scale 2D spectral compressed sensing in continuous domain

    KAUST Repository

    Cai, Jian-Feng

    2017-06-20

    We consider the problem of spectral compressed sensing in continuous domain, which aims to recover a 2-dimensional spectrally sparse signal from partially observed time samples. The signal is assumed to be a superposition of s complex sinusoids. We propose a semidefinite program for the 2D signal recovery problem. Our model is able to handle large scale 2D signals of size 500 × 500, whereas traditional approaches only handle signals of size around 20 × 20.

  18. Large scale 2D spectral compressed sensing in continuous domain

    KAUST Repository

    Cai, Jian-Feng; Xu, Weiyu; Yang, Yang

    2017-01-01

    We consider the problem of spectral compressed sensing in continuous domain, which aims to recover a 2-dimensional spectrally sparse signal from partially observed time samples. The signal is assumed to be a superposition of s complex sinusoids. We propose a semidefinite program for the 2D signal recovery problem. Our model is able to handle large scale 2D signals of size 500 × 500, whereas traditional approaches only handle signals of size around 20 × 20.

  19. Large-scale nuclear energy from the thorium cycle

    International Nuclear Information System (INIS)

    Lewis, W.B.; Duret, M.F.; Craig, D.S.; Veeder, J.I.; Bain, A.S.

    1973-02-01

    The thorium fuel cycle in CANDU (Canada Deuterium Uranium) reactors challenges breeders and fusion as the simplest means of meeting the world's large-scale demands for energy for centuries. Thorium oxide fuel allows high power density with excellent neutron economy. The combination of thorium fuel with organic caloporteur promises easy maintenance and high availability of the whole plant. The total fuelling cost including charges on the inventory is estimated to be attractively low. (author) [fr

  20. Large scale particle image velocimetry with helium filled soap bubbles

    Energy Technology Data Exchange (ETDEWEB)

    Bosbach, Johannes; Kuehn, Matthias; Wagner, Claus [German Aerospace Center (DLR), Institute of Aerodynamics and Flow Technology, Goettingen (Germany)

    2009-03-15

    The application of particle image velocimetry (PIV) to measurement of flows on large scales is a challenging necessity especially for the investigation of convective air flows. Combining helium filled soap bubbles as tracer particles with high power quality switched solid state lasers as light sources allows conducting PIV on scales of the order of several square meters. The technique was applied to mixed convection in a full scale double aisle aircraft cabin mock-up for validation of computational fluid dynamics simulations. (orig.)

  1. Fast, large-scale hologram calculation in wavelet domain

    Science.gov (United States)

    Shimobaba, Tomoyoshi; Matsushima, Kyoji; Takahashi, Takayuki; Nagahama, Yuki; Hasegawa, Satoki; Sano, Marie; Hirayama, Ryuji; Kakue, Takashi; Ito, Tomoyoshi

    2018-04-01

    We propose a large-scale hologram calculation using WAvelet ShrinkAge-Based superpositIon (WASABI), a wavelet transform-based algorithm. An image-type hologram calculated using the WASABI method is printed on a glass substrate with the resolution of 65 , 536 × 65 , 536 pixels and a pixel pitch of 1 μm. The hologram calculation time amounts to approximately 354 s on a commercial CPU, which is approximately 30 times faster than conventional methods.

  2. Evolutionary leap in large-scale flood risk assessment needed

    OpenAIRE

    Vorogushyn, Sergiy; Bates, Paul D.; de Bruijn, Karin; Castellarin, Attilio; Kreibich, Heidi; Priest, Sally J.; Schröter, Kai; Bagli, Stefano; Blöschl, Günter; Domeneghetti, Alessio; Gouldby, Ben; Klijn, Frans; Lammersen, Rita; Neal, Jeffrey C.; Ridder, Nina

    2018-01-01

    Current approaches for assessing large-scale flood risks contravene the fundamental principles of the flood risk system functioning because they largely ignore basic interactions and feedbacks between atmosphere, catchments, river-floodplain systems and socio-economic processes. As a consequence, risk analyses are uncertain and might be biased. However, reliable risk estimates are required for prioritizing national investments in flood risk mitigation or for appraisal and management of insura...

  3. Large scale particle image velocimetry with helium filled soap bubbles

    Science.gov (United States)

    Bosbach, Johannes; Kühn, Matthias; Wagner, Claus

    2009-03-01

    The application of Particle Image Velocimetry (PIV) to measurement of flows on large scales is a challenging necessity especially for the investigation of convective air flows. Combining helium filled soap bubbles as tracer particles with high power quality switched solid state lasers as light sources allows conducting PIV on scales of the order of several square meters. The technique was applied to mixed convection in a full scale double aisle aircraft cabin mock-up for validation of Computational Fluid Dynamics simulations.

  4. Large-scale Health Information Database and Privacy Protection*1

    OpenAIRE

    YAMAMOTO, Ryuichi

    2016-01-01

    Japan was once progressive in the digitalization of healthcare fields but unfortunately has fallen behind in terms of the secondary use of data for public interest. There has recently been a trend to establish large-scale health databases in the nation, and a conflict between data use for public interest and privacy protection has surfaced as this trend has progressed. Databases for health insurance claims or for specific health checkups and guidance services were created according to the law...

  5. Large-scale preparation of hollow graphitic carbon nanospheres

    International Nuclear Information System (INIS)

    Feng, Jun; Li, Fu; Bai, Yu-Jun; Han, Fu-Dong; Qi, Yong-Xin; Lun, Ning; Lu, Xi-Feng

    2013-01-01

    Hollow graphitic carbon nanospheres (HGCNSs) were synthesized on large scale by a simple reaction between glucose and Mg at 550 °C in an autoclave. Characterization by X-ray diffraction, Raman spectroscopy and transmission electron microscopy demonstrates the formation of HGCNSs with an average diameter of 10 nm or so and a wall thickness of a few graphenes. The HGCNSs exhibit a reversible capacity of 391 mAh g −1 after 60 cycles when used as anode materials for Li-ion batteries. -- Graphical abstract: Hollow graphitic carbon nanospheres could be prepared on large scale by the simple reaction between glucose and Mg at 550 °C, which exhibit superior electrochemical performance to graphite. Highlights: ► Hollow graphitic carbon nanospheres (HGCNSs) were prepared on large scale at 550 °C ► The preparation is simple, effective and eco-friendly. ► The in situ yielded MgO nanocrystals promote the graphitization. ► The HGCNSs exhibit superior electrochemical performance to graphite.

  6. Homogenization of Large-Scale Movement Models in Ecology

    Science.gov (United States)

    Garlick, M.J.; Powell, J.A.; Hooten, M.B.; McFarlane, L.R.

    2011-01-01

    A difficulty in using diffusion models to predict large scale animal population dispersal is that individuals move differently based on local information (as opposed to gradients) in differing habitat types. This can be accommodated by using ecological diffusion. However, real environments are often spatially complex, limiting application of a direct approach. Homogenization for partial differential equations has long been applied to Fickian diffusion (in which average individual movement is organized along gradients of habitat and population density). We derive a homogenization procedure for ecological diffusion and apply it to a simple model for chronic wasting disease in mule deer. Homogenization allows us to determine the impact of small scale (10-100 m) habitat variability on large scale (10-100 km) movement. The procedure generates asymptotic equations for solutions on the large scale with parameters defined by small-scale variation. The simplicity of this homogenization procedure is striking when compared to the multi-dimensional homogenization procedure for Fickian diffusion,and the method will be equally straightforward for more complex models. ?? 2010 Society for Mathematical Biology.

  7. Multiresolution comparison of precipitation datasets for large-scale models

    Science.gov (United States)

    Chun, K. P.; Sapriza Azuri, G.; Davison, B.; DeBeer, C. M.; Wheater, H. S.

    2014-12-01

    Gridded precipitation datasets are crucial for driving large-scale models which are related to weather forecast and climate research. However, the quality of precipitation products is usually validated individually. Comparisons between gridded precipitation products along with ground observations provide another avenue for investigating how the precipitation uncertainty would affect the performance of large-scale models. In this study, using data from a set of precipitation gauges over British Columbia and Alberta, we evaluate several widely used North America gridded products including the Canadian Gridded Precipitation Anomalies (CANGRD), the National Center for Environmental Prediction (NCEP) reanalysis, the Water and Global Change (WATCH) project, the thin plate spline smoothing algorithms (ANUSPLIN) and Canadian Precipitation Analysis (CaPA). Based on verification criteria for various temporal and spatial scales, results provide an assessment of possible applications for various precipitation datasets. For long-term climate variation studies (~100 years), CANGRD, NCEP, WATCH and ANUSPLIN have different comparative advantages in terms of their resolution and accuracy. For synoptic and mesoscale precipitation patterns, CaPA provides appealing performance of spatial coherence. In addition to the products comparison, various downscaling methods are also surveyed to explore new verification and bias-reduction methods for improving gridded precipitation outputs for large-scale models.

  8. Human visual system automatically represents large-scale sequential regularities.

    Science.gov (United States)

    Kimura, Motohiro; Widmann, Andreas; Schröger, Erich

    2010-03-04

    Our brain recordings reveal that large-scale sequential regularities defined across non-adjacent stimuli can be automatically represented in visual sensory memory. To show that, we adopted an auditory paradigm developed by Sussman, E., Ritter, W., and Vaughan, H. G. Jr. (1998). Predictability of stimulus deviance and the mismatch negativity. NeuroReport, 9, 4167-4170, Sussman, E., and Gumenyuk, V. (2005). Organization of sequential sounds in auditory memory. NeuroReport, 16, 1519-1523 to the visual domain by presenting task-irrelevant infrequent luminance-deviant stimuli (D, 20%) inserted among task-irrelevant frequent stimuli being of standard luminance (S, 80%) in randomized (randomized condition, SSSDSSSSSDSSSSD...) and fixed manners (fixed condition, SSSSDSSSSDSSSSD...). Comparing the visual mismatch negativity (visual MMN), an event-related brain potential (ERP) index of memory-mismatch processes in human visual sensory system, revealed that visual MMN elicited by deviant stimuli was reduced in the fixed compared to the randomized condition. Thus, the large-scale sequential regularity being present in the fixed condition (SSSSD) must have been represented in visual sensory memory. Interestingly, this effect did not occur in conditions with stimulus-onset asynchronies (SOAs) of 480 and 800 ms but was confined to the 160-ms SOA condition supporting the hypothesis that large-scale regularity extraction was based on perceptual grouping of the five successive stimuli defining the regularity. 2010 Elsevier B.V. All rights reserved.

  9. Large-scale preparation of hollow graphitic carbon nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Jun; Li, Fu [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Bai, Yu-Jun, E-mail: byj97@126.com [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); State Key laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Han, Fu-Dong; Qi, Yong-Xin; Lun, Ning [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Lu, Xi-Feng [Lunan Institute of Coal Chemical Engineering, Jining 272000 (China)

    2013-01-15

    Hollow graphitic carbon nanospheres (HGCNSs) were synthesized on large scale by a simple reaction between glucose and Mg at 550 Degree-Sign C in an autoclave. Characterization by X-ray diffraction, Raman spectroscopy and transmission electron microscopy demonstrates the formation of HGCNSs with an average diameter of 10 nm or so and a wall thickness of a few graphenes. The HGCNSs exhibit a reversible capacity of 391 mAh g{sup -1} after 60 cycles when used as anode materials for Li-ion batteries. -- Graphical abstract: Hollow graphitic carbon nanospheres could be prepared on large scale by the simple reaction between glucose and Mg at 550 Degree-Sign C, which exhibit superior electrochemical performance to graphite. Highlights: Black-Right-Pointing-Pointer Hollow graphitic carbon nanospheres (HGCNSs) were prepared on large scale at 550 Degree-Sign C Black-Right-Pointing-Pointer The preparation is simple, effective and eco-friendly. Black-Right-Pointing-Pointer The in situ yielded MgO nanocrystals promote the graphitization. Black-Right-Pointing-Pointer The HGCNSs exhibit superior electrochemical performance to graphite.

  10. Study of a large scale neutron measurement channel

    International Nuclear Information System (INIS)

    Amarouayache, Anissa; Ben Hadid, Hayet.

    1982-12-01

    A large scale measurement channel allows the processing of the signal coming from an unique neutronic sensor, during three different running modes: impulses, fluctuations and current. The study described in this note includes three parts: - A theoretical study of the large scale channel and its brief description are given. The results obtained till now in that domain are presented. - The fluctuation mode is thoroughly studied and the improvements to be done are defined. The study of a fluctuation linear channel with an automatic commutation of scales is described and the results of the tests are given. In this large scale channel, the method of data processing is analogical. - To become independent of the problems generated by the use of a an analogical processing of the fluctuation signal, a digital method of data processing is tested. The validity of that method is improved. The results obtained on a test system realized according to this method are given and a preliminary plan for further research is defined [fr

  11. Critical thinking, politics on a large scale and media democracy

    Directory of Open Access Journals (Sweden)

    José Antonio IBÁÑEZ-MARTÍN

    2015-06-01

    Full Text Available The first approximation to the social current reality offers us numerous motives for the worry. The spectacle of violence and of immorality can scare us easily. But more worrying still it is to verify that the horizon of conviviality, peace and wellbeing that Europe had been developing from the Treaty of Rome of 1957 has compromised itself seriously for the economic crisis. Today we are before an assault to the democratic politics, which is qualified, on the part of the media democracy, as an exhausted system, which is required to be changed into a new and great politics, a politics on a large scale. The article analyses the concept of a politics on a large scale, primarily attending to Nietzsche, and noting its union with the great philosophy and the great education. The study of the texts of Nietzsche leads us to the conclusion of how in them we often find an interesting analysis of the problems and a misguided proposal for solutions. We cannot think to suggest solutions to all the problems, but we outline various proposals about changes of political activity, that reasonably are defended from the media democracy. In conclusion, we point out that a politics on a large scale requires statesmen, able to suggest modes of life in common that can structure a long-term coexistence.

  12. Parallel clustering algorithm for large-scale biological data sets.

    Science.gov (United States)

    Wang, Minchao; Zhang, Wu; Ding, Wang; Dai, Dongbo; Zhang, Huiran; Xie, Hao; Chen, Luonan; Guo, Yike; Xie, Jiang

    2014-01-01

    Recent explosion of biological data brings a great challenge for the traditional clustering algorithms. With increasing scale of data sets, much larger memory and longer runtime are required for the cluster identification problems. The affinity propagation algorithm outperforms many other classical clustering algorithms and is widely applied into the biological researches. However, the time and space complexity become a great bottleneck when handling the large-scale data sets. Moreover, the similarity matrix, whose constructing procedure takes long runtime, is required before running the affinity propagation algorithm, since the algorithm clusters data sets based on the similarities between data pairs. Two types of parallel architectures are proposed in this paper to accelerate the similarity matrix constructing procedure and the affinity propagation algorithm. The memory-shared architecture is used to construct the similarity matrix, and the distributed system is taken for the affinity propagation algorithm, because of its large memory size and great computing capacity. An appropriate way of data partition and reduction is designed in our method, in order to minimize the global communication cost among processes. A speedup of 100 is gained with 128 cores. The runtime is reduced from serval hours to a few seconds, which indicates that parallel algorithm is capable of handling large-scale data sets effectively. The parallel affinity propagation also achieves a good performance when clustering large-scale gene data (microarray) and detecting families in large protein superfamilies.

  13. Accelerating large-scale phase-field simulations with GPU

    Directory of Open Access Journals (Sweden)

    Xiaoming Shi

    2017-10-01

    Full Text Available A new package for accelerating large-scale phase-field simulations was developed by using GPU based on the semi-implicit Fourier method. The package can solve a variety of equilibrium equations with different inhomogeneity including long-range elastic, magnetostatic, and electrostatic interactions. Through using specific algorithm in Compute Unified Device Architecture (CUDA, Fourier spectral iterative perturbation method was integrated in GPU package. The Allen-Cahn equation, Cahn-Hilliard equation, and phase-field model with long-range interaction were solved based on the algorithm running on GPU respectively to test the performance of the package. From the comparison of the calculation results between the solver executed in single CPU and the one on GPU, it was found that the speed on GPU is enormously elevated to 50 times faster. The present study therefore contributes to the acceleration of large-scale phase-field simulations and provides guidance for experiments to design large-scale functional devices.

  14. Problems of large-scale vertically-integrated aquaculture

    Energy Technology Data Exchange (ETDEWEB)

    Webber, H H; Riordan, P F

    1976-01-01

    The problems of vertically-integrated aquaculture are outlined; they are concerned with: species limitations (in the market, biological and technological); site selection, feed, manpower needs, and legal, institutional and financial requirements. The gaps in understanding of, and the constraints limiting, large-scale aquaculture are listed. Future action is recommended with respect to: types and diversity of species to be cultivated, marketing, biotechnology (seed supply, disease control, water quality and concerted effort), siting, feed, manpower, legal and institutional aids (granting of water rights, grants, tax breaks, duty-free imports, etc.), and adequate financing. The last of hard data based on experience suggests that large-scale vertically-integrated aquaculture is a high risk enterprise, and with the high capital investment required, banks and funding institutions are wary of supporting it. Investment in pilot projects is suggested to demonstrate that large-scale aquaculture can be a fully functional and successful business. Construction and operation of such pilot farms is judged to be in the interests of both the public and private sector.

  15. Large-scale fracture mechancis testing -- requirements and possibilities

    International Nuclear Information System (INIS)

    Brumovsky, M.

    1993-01-01

    Application of fracture mechanics to very important and/or complicated structures, like reactor pressure vessels, brings also some questions about the reliability and precision of such calculations. These problems become more pronounced in cases of elastic-plastic conditions of loading and/or in parts with non-homogeneous materials (base metal and austenitic cladding, property gradient changes through material thickness) or with non-homogeneous stress fields (nozzles, bolt threads, residual stresses etc.). For such special cases some verification by large-scale testing is necessary and valuable. This paper discusses problems connected with planning of such experiments with respect to their limitations, requirements to a good transfer of received results to an actual vessel. At the same time, an analysis of possibilities of small-scale model experiments is also shown, mostly in connection with application of results between standard, small-scale and large-scale experiments. Experience from 30 years of large-scale testing in SKODA is used as an example to support this analysis. 1 fig

  16. Utilization of Large Scale Surface Models for Detailed Visibility Analyses

    Science.gov (United States)

    Caha, J.; Kačmařík, M.

    2017-11-01

    This article demonstrates utilization of large scale surface models with small spatial resolution and high accuracy, acquired from Unmanned Aerial Vehicle scanning, for visibility analyses. The importance of large scale data for visibility analyses on the local scale, where the detail of the surface model is the most defining factor, is described. The focus is not only the classic Boolean visibility, that is usually determined within GIS, but also on so called extended viewsheds that aims to provide more information about visibility. The case study with examples of visibility analyses was performed on river Opava, near the Ostrava city (Czech Republic). The multiple Boolean viewshed analysis and global horizon viewshed were calculated to determine most prominent features and visibility barriers of the surface. Besides that, the extended viewshed showing angle difference above the local horizon, which describes angular height of the target area above the barrier, is shown. The case study proved that large scale models are appropriate data source for visibility analyses on local level. The discussion summarizes possible future applications and further development directions of visibility analyses.

  17. Photorealistic large-scale urban city model reconstruction.

    Science.gov (United States)

    Poullis, Charalambos; You, Suya

    2009-01-01

    The rapid and efficient creation of virtual environments has become a crucial part of virtual reality applications. In particular, civil and defense applications often require and employ detailed models of operations areas for training, simulations of different scenarios, planning for natural or man-made events, monitoring, surveillance, games, and films. A realistic representation of the large-scale environments is therefore imperative for the success of such applications since it increases the immersive experience of its users and helps reduce the difference between physical and virtual reality. However, the task of creating such large-scale virtual environments still remains a time-consuming and manual work. In this work, we propose a novel method for the rapid reconstruction of photorealistic large-scale virtual environments. First, a novel, extendible, parameterized geometric primitive is presented for the automatic building identification and reconstruction of building structures. In addition, buildings with complex roofs containing complex linear and nonlinear surfaces are reconstructed interactively using a linear polygonal and a nonlinear primitive, respectively. Second, we present a rendering pipeline for the composition of photorealistic textures, which unlike existing techniques, can recover missing or occluded texture information by integrating multiple information captured from different optical sensors (ground, aerial, and satellite).

  18. Methods Dealing with Complexity in Selecting Joint Venture Contractors for Large-Scale Infrastructure Projects

    Directory of Open Access Journals (Sweden)

    Ru Liang

    2018-01-01

    Full Text Available The magnitude of business dynamics has increased rapidly due to increased complexity, uncertainty, and risk of large-scale infrastructure projects. This fact made it increasingly tough to “go alone” into a contractor. As a consequence, joint venture contractors with diverse strengths and weaknesses cooperatively bid for bidding. Understanding project complexity and making decision on the optimal joint venture contractor is challenging. This paper is to study how to select joint venture contractors for undertaking large-scale infrastructure projects based on a multiattribute mathematical model. Two different methods are developed to solve the problem. One is based on ideal points and the other one is based on balanced ideal advantages. Both of the two methods consider individual difference in expert judgment and contractor attributes. A case study of Hong Kong-Zhuhai-Macao-Bridge (HZMB project in China is used to demonstrate how to apply these two methods and their advantages.

  19. WAMS Based Intelligent Operation and Control of Modern Power System with large Scale Renewable Energy Penetration

    DEFF Research Database (Denmark)

    Rather, Zakir Hussain

    security limits. Under such scenario, progressive displacement of conventional generation by wind generation is expected to eventually lead a complex power system with least presence of central power plants. Consequently the support from conventional power plants is expected to reach its all-time low...... system voltage control responsibility from conventional power plants to wind turbines. With increased wind penetration and displaced conventional central power plants, dynamic voltage security has been identified as one of the challenging issue for large scale wind integration. To address the dynamic...... security issue, a WAMS based systematic voltage control scheme for large scale wind integrated power system has been proposed. Along with the optimal reactive power compensation, the proposed scheme considers voltage support from wind farms (equipped with voltage support functionality) and refurbished...

  20. PathlinesExplorer — Image-based exploration of large-scale pathline fields

    KAUST Repository

    Nagoor, Omniah H.

    2015-10-25

    PathlinesExplorer is a novel image-based tool, which has been designed to visualize large scale pathline fields on a single computer [7]. PathlinesExplorer integrates explorable images (EI) technique [4] with order-independent transparency (OIT) method [2]. What makes this method different is that it allows users to handle large data on a single workstation. Although it is a view-dependent method, PathlinesExplorer combines both exploration and modification of visual aspects without re-accessing the original huge data. Our approach is based on constructing a per-pixel linked list data structure in which each pixel contains a list of pathline segments. With this view-dependent method, it is possible to filter, color-code, and explore large-scale flow data in real-time. In addition, optimization techniques such as early-ray termination and deferred shading are applied, which further improves the performance and scalability of our approach.

  1. Parallelizing Gene Expression Programming Algorithm in Enabling Large-Scale Classification

    Directory of Open Access Journals (Sweden)

    Lixiong Xu

    2017-01-01

    Full Text Available As one of the most effective function mining algorithms, Gene Expression Programming (GEP algorithm has been widely used in classification, pattern recognition, prediction, and other research fields. Based on the self-evolution, GEP is able to mine an optimal function for dealing with further complicated tasks. However, in big data researches, GEP encounters low efficiency issue due to its long time mining processes. To improve the efficiency of GEP in big data researches especially for processing large-scale classification tasks, this paper presents a parallelized GEP algorithm using MapReduce computing model. The experimental results show that the presented algorithm is scalable and efficient for processing large-scale classification tasks.

  2. Foundational perspectives on causality in large-scale brain networks

    Science.gov (United States)

    Mannino, Michael; Bressler, Steven L.

    2015-12-01

    A profusion of recent work in cognitive neuroscience has been concerned with the endeavor to uncover causal influences in large-scale brain networks. However, despite the fact that many papers give a nod to the important theoretical challenges posed by the concept of causality, this explosion of research has generally not been accompanied by a rigorous conceptual analysis of the nature of causality in the brain. This review provides both a descriptive and prescriptive account of the nature of causality as found within and between large-scale brain networks. In short, it seeks to clarify the concept of causality in large-scale brain networks both philosophically and scientifically. This is accomplished by briefly reviewing the rich philosophical history of work on causality, especially focusing on contributions by David Hume, Immanuel Kant, Bertrand Russell, and Christopher Hitchcock. We go on to discuss the impact that various interpretations of modern physics have had on our understanding of causality. Throughout all this, a central focus is the distinction between theories of deterministic causality (DC), whereby causes uniquely determine their effects, and probabilistic causality (PC), whereby causes change the probability of occurrence of their effects. We argue that, given the topological complexity of its large-scale connectivity, the brain should be considered as a complex system and its causal influences treated as probabilistic in nature. We conclude that PC is well suited for explaining causality in the brain for three reasons: (1) brain causality is often mutual; (2) connectional convergence dictates that only rarely is the activity of one neuronal population uniquely determined by another one; and (3) the causal influences exerted between neuronal populations may not have observable effects. A number of different techniques are currently available to characterize causal influence in the brain. Typically, these techniques quantify the statistical

  3. SYNTHESIS AND CHARACTERIZATION OF NEW STABILIZERS WITH OPTIMAL MOLECULAR WEIGHT

    Institute of Scientific and Technical Information of China (English)

    Jiang-qing Pan

    2001-01-01

    Over 2 × l08 tons of polymers are produced every year, and a large portion of polymers faces the degradation problem. There are many effective methods to protect polymers against degradation and the addition of stabilizers to polymer remains the most convenient and effective way of enhancing polymer life and performance. In this article, a series of effective stabilizers with optimal molecular weight (MW), including common, monomeric and polymeric stabilizers (antioxidant and light stabilizer) were synthesized using isocyanation, controlled isocyanation, hydrosilylation, epoxide addition, macroreaction of stabilizing functional compounds and polymerization of monomeric stabilizers. The sructure and performance of these new stabilizers were characterized by using IR, NMR, MS, UV-spectra, XPS and elemental analysis. The current development of stabilizer synthesis was also reviewed.``

  4. Symbol interval optimization for molecular communication with drift.

    Science.gov (United States)

    Kim, Na-Rae; Eckford, Andrew W; Chae, Chan-Byoung

    2014-09-01

    In this paper, we propose a symbol interval optimization algorithm in molecular communication with drift. Proper symbol intervals are important in practical communication systems since information needs to be sent as fast as possible with low error rates. There is a trade-off, however, between symbol intervals and inter-symbol interference (ISI) from Brownian motion. Thus, we find proper symbol interval values considering the ISI inside two kinds of blood vessels, and also suggest no ISI system for strong drift models. Finally, an isomer-based molecule shift keying (IMoSK) is applied to calculate achievable data transmission rates (achievable rates, hereafter). Normalized achievable rates are also obtained and compared in one-symbol ISI and no ISI systems.

  5. An efficient and novel computation method for simulating diffraction patterns from large-scale coded apertures on large-scale focal plane arrays

    Science.gov (United States)

    Shrekenhamer, Abraham; Gottesman, Stephen R.

    2012-10-01

    A novel and memory efficient method for computing diffraction patterns produced on large-scale focal planes by largescale Coded Apertures at wavelengths where diffraction effects are significant has been developed and tested. The scheme, readily implementable on portable computers, overcomes the memory limitations of present state-of-the-art simulation codes such as Zemax. The method consists of first calculating a set of reference complex field (amplitude and phase) patterns on the focal plane produced by a single (reference) central hole, extending to twice the focal plane array size, with one such pattern for each Line-of-Sight (LOS) direction and wavelength in the scene, and with the pattern amplitude corresponding to the square-root of the spectral irradiance from each such LOS direction in the scene at selected wavelengths. Next the set of reference patterns is transformed to generate pattern sets for other holes. The transformation consists of a translational pattern shift corresponding to each hole's position offset and an electrical phase shift corresponding to each hole's position offset and incoming radiance's direction and wavelength. The set of complex patterns for each direction and wavelength is then summed coherently and squared for each detector to yield a set of power patterns unique for each direction and wavelength. Finally the set of power patterns is summed to produce the full waveband diffraction pattern from the scene. With this tool researchers can now efficiently simulate diffraction patterns produced from scenes by large-scale Coded Apertures onto large-scale focal plane arrays to support the development and optimization of coded aperture masks and image reconstruction algorithms.

  6. Novel material and structural design for large-scale marine protective devices

    International Nuclear Information System (INIS)

    Qiu, Ang; Lin, Wei; Ma, Yong; Zhao, Chengbi; Tang, Youhong

    2015-01-01

    Highlights: • Large-scale protective devices with different structural designs have been optimized. • Large-scale protective devices with novel material designs have been optimized. • Protective devices constructed of sandwich panels have the best anti-collision performance. • Protective devices with novel material design can reduce weight and construction cost. - Abstract: Large-scale protective devices must endure the impact of severe forces, large structural deformation, the increased stress and strain rate effects, and multiple coupling effects. In evaluation of the safety of conceptual design through simulation, several key parameters considered in this research are maximum impact force, energy dissipated by the impactor (e.g. a ship) and energy absorbed by the device and the impactor stroke. During impact, the main function of the ring beam structure is to resist and buffer the impact force between ship and bridge pile caps, which could guarantee that the magnitude of impact force meets the corresponding requirements. The means of improving anti-collision performance can be to increase the strength of the beam section or to exchange the steel material with novel fiber reinforced polymer laminates. The main function of the buoyancy tank is to absorb and transfer the ship’s kinetic energy through large plastic deformation, damage, or friction occurring within itself. The energy absorption effect can be improved by structure optimization or by the use of new sandwich panels. Structural and material optimization schemes are proposed on the basis of conceptual design in this research, and protective devices constructed of sandwich panels prove to have the best anti-collision performance

  7. AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

    Directory of Open Access Journals (Sweden)

    Pajeva Ilza

    2008-10-01

    Full Text Available Abstract Background Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly assisting the drug discovery process. Despite considerable progresses made in virtual screening methodologies, available computer programs do not easily address problems such as: structural optimization of compounds in a screening library, receptor flexibility/induced-fit, and accurate prediction of protein-ligand interactions. It has been shown that structural optimization of chemical compounds and that post-docking optimization in multi-step structure-based virtual screening approaches help to further improve the overall efficiency of the methods. To address some of these points, we developed the program AMMOS for refining both, the 3D structures of the small molecules present in chemical libraries and the predicted receptor-ligand complexes through allowing partial to full atom flexibility through molecular mechanics optimization. Results The program AMMOS carries out an automatic procedure that allows for the structural refinement of compound collections and energy minimization of protein-ligand complexes using the open source program AMMP. The performance of our package was evaluated by comparing the structures of small chemical entities minimized by AMMOS with those minimized with the Tripos and MMFF94s force fields. Next, AMMOS was used for full flexible minimization of protein-ligands complexes obtained from a mutli-step virtual screening. Enrichment studies of the selected pre-docked complexes containing 60% of the initially added inhibitors were carried out with or without final AMMOS minimization on two protein targets having different binding pocket properties. AMMOS was able to improve the enrichment after the pre-docking stage with 40 to 60% of the initially added active compounds found in the top 3% to 5% of the entire compound collection

  8. Large-scale compositional heterogeneity in the Earth's mantle

    Science.gov (United States)

    Ballmer, M.

    2017-12-01

    Seismic imaging of subducted Farallon and Tethys lithosphere in the lower mantle has been taken as evidence for whole-mantle convection, and efficient mantle mixing. However, cosmochemical constraints point to a lower-mantle composition that has a lower Mg/Si compared to upper-mantle pyrolite. Moreover, geochemical signatures of magmatic rocks indicate the long-term persistence of primordial reservoirs somewhere in the mantle. In this presentation, I establish geodynamic mechanisms for sustaining large-scale (primordial) heterogeneity in the Earth's mantle using numerical models. Mantle flow is controlled by rock density and viscosity. Variations in intrinsic rock density, such as due to heterogeneity in basalt or iron content, can induce layering or partial layering in the mantle. Layering can be sustained in the presence of persistent whole mantle convection due to active "unmixing" of heterogeneity in low-viscosity domains, e.g. in the transition zone or near the core-mantle boundary [1]. On the other hand, lateral variations in intrinsic rock viscosity, such as due to heterogeneity in Mg/Si, can strongly affect the mixing timescales of the mantle. In the extreme case, intrinsically strong rocks may remain unmixed through the age of the Earth, and persist as large-scale domains in the mid-mantle due to focusing of deformation along weak conveyor belts [2]. That large-scale lateral heterogeneity and/or layering can persist in the presence of whole-mantle convection can explain the stagnation of some slabs, as well as the deflection of some plumes, in the mid-mantle. These findings indeed motivate new seismic studies for rigorous testing of model predictions. [1] Ballmer, M. D., N. C. Schmerr, T. Nakagawa, and J. Ritsema (2015), Science Advances, doi:10.1126/sciadv.1500815. [2] Ballmer, M. D., C. Houser, J. W. Hernlund, R. Wentzcovitch, and K. Hirose (2017), Nature Geoscience, doi:10.1038/ngeo2898.

  9. Large-Scale Traveling Weather Systems in Mars’ Southern Extratropics

    Science.gov (United States)

    Hollingsworth, Jeffery L.; Kahre, Melinda A.

    2017-10-01

    Between late fall and early spring, Mars’ middle- and high-latitude atmosphere supports strong mean equator-to-pole temperature contrasts and an accompanying mean westerly polar vortex. Observations from both the MGS Thermal Emission Spectrometer (TES) and the MRO Mars Climate Sounder (MCS) indicate that a mean baroclinicity-barotropicity supports intense, large-scale eastward traveling weather systems (i.e., transient synoptic-period waves). Such extratropical weather disturbances are critical components of the global circulation as they serve as agents in the transport of heat and momentum, and generalized scalar/tracer quantities (e.g., atmospheric dust, water-vapor and ice clouds). The character of such traveling extratropical synoptic disturbances in Mars' southern hemisphere during late winter through early spring is investigated using a moderately high-resolution Mars global climate model (Mars GCM). This Mars GCM imposes interactively-lifted and radiatively-active dust based on a threshold value of the surface stress. The model exhibits a reasonable "dust cycle" (i.e., globally averaged, a dustier atmosphere during southern spring and summer occurs). Compared to the northern-hemisphere counterparts, the southern synoptic-period weather disturbances and accompanying frontal waves have smaller meridional and zonal scales, and are far less intense. Influences of the zonally asymmetric (i.e., east-west varying) topography on southern large-scale weather are investigated, in addition to large-scale up-slope/down-slope flows and the diurnal cycle. A southern storm zone in late winter and early spring presents in the western hemisphere via orographic influences from the Tharsis highlands, and the Argyre and Hellas impact basins. Geographically localized transient-wave activity diagnostics are constructed that illuminate dynamical differences amongst the simulations and these are presented.

  10. On the Phenomenology of an Accelerated Large-Scale Universe

    Directory of Open Access Journals (Sweden)

    Martiros Khurshudyan

    2016-10-01

    Full Text Available In this review paper, several new results towards the explanation of the accelerated expansion of the large-scale universe is discussed. On the other hand, inflation is the early-time accelerated era and the universe is symmetric in the sense of accelerated expansion. The accelerated expansion of is one of the long standing problems in modern cosmology, and physics in general. There are several well defined approaches to solve this problem. One of them is an assumption concerning the existence of dark energy in recent universe. It is believed that dark energy is responsible for antigravity, while dark matter has gravitational nature and is responsible, in general, for structure formation. A different approach is an appropriate modification of general relativity including, for instance, f ( R and f ( T theories of gravity. On the other hand, attempts to build theories of quantum gravity and assumptions about existence of extra dimensions, possible variability of the gravitational constant and the speed of the light (among others, provide interesting modifications of general relativity applicable to problems of modern cosmology, too. In particular, here two groups of cosmological models are discussed. In the first group the problem of the accelerated expansion of large-scale universe is discussed involving a new idea, named the varying ghost dark energy. On the other hand, the second group contains cosmological models addressed to the same problem involving either new parameterizations of the equation of state parameter of dark energy (like varying polytropic gas, or nonlinear interactions between dark energy and dark matter. Moreover, for cosmological models involving varying ghost dark energy, massless particle creation in appropriate radiation dominated universe (when the background dynamics is due to general relativity is demonstrated as well. Exploring the nature of the accelerated expansion of the large-scale universe involving generalized

  11. Solving large scale structure in ten easy steps with COLA

    Energy Technology Data Exchange (ETDEWEB)

    Tassev, Svetlin [Department of Astrophysical Sciences, Princeton University, 4 Ivy Lane, Princeton, NJ 08544 (United States); Zaldarriaga, Matias [School of Natural Sciences, Institute for Advanced Study, Olden Lane, Princeton, NJ 08540 (United States); Eisenstein, Daniel J., E-mail: stassev@cfa.harvard.edu, E-mail: matiasz@ias.edu, E-mail: deisenstein@cfa.harvard.edu [Center for Astrophysics, Harvard University, 60 Garden Street, Cambridge, MA 02138 (United States)

    2013-06-01

    We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As an illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 10{sup 9}M{sub s}un/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 10{sup 11}M{sub s}un/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.

  12. Large-Scale Traveling Weather Systems in Mars Southern Extratropics

    Science.gov (United States)

    Hollingsworth, Jeffery L.; Kahre, Melinda A.

    2017-01-01

    Between late fall and early spring, Mars' middle- and high-latitude atmosphere supports strong mean equator-to-pole temperature contrasts and an accompanying mean westerly polar vortex. Observations from both the MGS Thermal Emission Spectrometer (TES) and the MRO Mars Climate Sounder (MCS) indicate that a mean baroclinicity-barotropicity supports intense, large-scale eastward traveling weather systems (i.e., transient synoptic-period waves). Such extratropical weather disturbances are critical components of the global circulation as they serve as agents in the transport of heat and momentum, and generalized scalar/tracer quantities (e.g., atmospheric dust, water-vapor and ice clouds). The character of such traveling extratropical synoptic disturbances in Mars' southern hemisphere during late winter through early spring is investigated using a moderately high-resolution Mars global climate model (Mars GCM). This Mars GCM imposes interactively-lifted and radiatively-active dust based on a threshold value of the surface stress. The model exhibits a reasonable "dust cycle" (i.e., globally averaged, a dustier atmosphere during southern spring and summer occurs). Compared to the northern-hemisphere counterparts, the southern synoptic-period weather disturbances and accompanying frontal waves have smaller meridional and zonal scales, and are far less intense. Influences of the zonally asymmetric (i.e., east-west varying) topography on southern large-scale weather are investigated, in addition to large-scale up-slope/down-slope flows and the diurnal cycle. A southern storm zone in late winter and early spring presents in the western hemisphere via orographic influences from the Tharsis highlands, and the Argyre and Hellas impact basins. Geographically localized transient-wave activity diagnostics are constructed that illuminate dynamical differences amongst the simulations and these are presented.

  13. Nonlinear evolution of large-scale structure in the universe

    International Nuclear Information System (INIS)

    Frenk, C.S.; White, S.D.M.; Davis, M.

    1983-01-01

    Using N-body simulations we study the nonlinear development of primordial density perturbation in an Einstein--de Sitter universe. We compare the evolution of an initial distribution without small-scale density fluctuations to evolution from a random Poisson distribution. These initial conditions mimic the assumptions of the adiabatic and isothermal theories of galaxy formation. The large-scale structures which form in the two cases are markedly dissimilar. In particular, the correlation function xi(r) and the visual appearance of our adiabatic (or ''pancake'') models match better the observed distribution of galaxies. This distribution is characterized by large-scale filamentary structure. Because the pancake models do not evolve in a self-similar fashion, the slope of xi(r) steepens with time; as a result there is a unique epoch at which these models fit the galaxy observations. We find the ratio of cutoff length to correlation length at this time to be lambda/sub min//r 0 = 5.1; its expected value in a neutrino dominated universe is 4(Ωh) -1 (H 0 = 100h km s -1 Mpc -1 ). At early epochs these models predict a negligible amplitude for xi(r) and could explain the lack of measurable clustering in the Lyα absorption lines of high-redshift quasars. However, large-scale structure in our models collapses after z = 2. If this collapse precedes galaxy formation as in the usual pancake theory, galaxies formed uncomfortably recently. The extent of this problem may depend on the cosmological model used; the present series of experiments should be extended in the future to include models with Ω<1

  14. A method of orbital analysis for large-scale first-principles simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ohwaki, Tsukuru [Advanced Materials Laboratory, Nissan Research Center, Nissan Motor Co., Ltd., 1 Natsushima-cho, Yokosuka, Kanagawa 237-8523 (Japan); Otani, Minoru [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Ozaki, Taisuke [Research Center for Simulation Science (RCSS), Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)

    2014-06-28

    An efficient method of calculating the natural bond orbitals (NBOs) based on a truncation of the entire density matrix of a whole system is presented for large-scale density functional theory calculations. The method recovers an orbital picture for O(N) electronic structure methods which directly evaluate the density matrix without using Kohn-Sham orbitals, thus enabling quantitative analysis of chemical reactions in large-scale systems in the language of localized Lewis-type chemical bonds. With the density matrix calculated by either an exact diagonalization or O(N) method, the computational cost is O(1) for the calculation of NBOs associated with a local region where a chemical reaction takes place. As an illustration of the method, we demonstrate how an electronic structure in a local region of interest can be analyzed by NBOs in a large-scale first-principles molecular dynamics simulation for a liquid electrolyte bulk model (propylene carbonate + LiBF{sub 4})

  15. Quantitative Missense Variant Effect Prediction Using Large-Scale Mutagenesis Data.

    Science.gov (United States)

    Gray, Vanessa E; Hause, Ronald J; Luebeck, Jens; Shendure, Jay; Fowler, Douglas M

    2018-01-24

    Large datasets describing the quantitative effects of mutations on protein function are becoming increasingly available. Here, we leverage these datasets to develop Envision, which predicts the magnitude of a missense variant's molecular effect. Envision combines 21,026 variant effect measurements from nine large-scale experimental mutagenesis datasets, a hitherto untapped training resource, with a supervised, stochastic gradient boosting learning algorithm. Envision outperforms other missense variant effect predictors both on large-scale mutagenesis data and on an independent test dataset comprising 2,312 TP53 variants whose effects were measured using a low-throughput approach. This dataset was never used for hyperparameter tuning or model training and thus serves as an independent validation set. Envision prediction accuracy is also more consistent across amino acids than other predictors. Finally, we demonstrate that Envision's performance improves as more large-scale mutagenesis data are incorporated. We precompute Envision predictions for every possible single amino acid variant in human, mouse, frog, zebrafish, fruit fly, worm, and yeast proteomes (https://envision.gs.washington.edu/). Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Recent Advances in Understanding Large Scale Vapour Explosions

    International Nuclear Information System (INIS)

    Board, S.J.; Hall, R.W.

    1976-01-01

    In foundries, violent explosions occur occasionally when molten metal comes into contact with water. If similar explosions can occur with other materials, hazardous situations may arise for example in LNG marine transportation accidents, or in liquid cooled reactor incidents when molten UO 2 contacts water or sodium coolant. Over the last 10 years a large body of experimental data has been obtained on the behaviour of small quantities of hot material in contact with a vaporisable coolant. Such experiments generally give low energy yields, despite producing fine fragmentation of the molten material. These events have been interpreted in terms of a wide range of phenomena such as violent boiling, liquid entrainment, bubble collapse, superheat, surface cracking and many others. Many of these studies have been aimed at understanding the small scale behaviour of the particular materials of interest. However, understanding the nature of the energetic events which were the original cause for concern may also be necessary to give confidence that violent events cannot occur for these materials in large scale situations. More recently, there has been a trend towards larger experiments and some of these have produced explosions of moderately high efficiency. Although occurrence of such large scale explosions can depend rather critically on initial conditions in a way which is not fully understood, there are signs that the interpretation of these events may be more straightforward than that of the single drop experiments. In the last two years several theoretical models for large scale explosions have appeared which attempt a self contained explanation of at least some stages of such high yield events: these have as their common feature a description of how a propagating breakdown of an initially quasi-stable distribution of materials is induced by the pressure and flow field caused by the energy release in adjacent regions. These models have led to the idea that for a full

  17. Safeguarding aspects of large-scale commercial reprocessing plants

    International Nuclear Information System (INIS)

    1979-03-01

    The paper points out that several solutions to the problems of safeguarding large-scale plants have been put forward: (1) Increased measurement accuracy. This does not remove the problem of timely detection. (2) Continuous in-process measurement. As yet unproven and likely to be costly. (3) More extensive use of containment and surveillance. The latter appears to be feasible but requires the incorporation of safeguards into plant design and sufficient redundancy to protect the operators interests. The advantages of altering the emphasis of safeguards philosophy from quantitative goals to the analysis of diversion strategies should be considered

  18. Large-Scale Graph Processing Using Apache Giraph

    KAUST Repository

    Sakr, Sherif

    2017-01-07

    This book takes its reader on a journey through Apache Giraph, a popular distributed graph processing platform designed to bring the power of big data processing to graph data. Designed as a step-by-step self-study guide for everyone interested in large-scale graph processing, it describes the fundamental abstractions of the system, its programming models and various techniques for using the system to process graph data at scale, including the implementation of several popular and advanced graph analytics algorithms.

  19. Highly Scalable Trip Grouping for Large Scale Collective Transportation Systems

    DEFF Research Database (Denmark)

    Gidofalvi, Gyozo; Pedersen, Torben Bach; Risch, Tore

    2008-01-01

    Transportation-related problems, like road congestion, parking, and pollution, are increasing in most cities. In order to reduce traffic, recent work has proposed methods for vehicle sharing, for example for sharing cabs by grouping "closeby" cab requests and thus minimizing transportation cost...... and utilizing cab space. However, the methods published so far do not scale to large data volumes, which is necessary to facilitate large-scale collective transportation systems, e.g., ride-sharing systems for large cities. This paper presents highly scalable trip grouping algorithms, which generalize previous...

  20. Large-scale computing techniques for complex system simulations

    CERN Document Server

    Dubitzky, Werner; Schott, Bernard

    2012-01-01

    Complex systems modeling and simulation approaches are being adopted in a growing number of sectors, including finance, economics, biology, astronomy, and many more. Technologies ranging from distributed computing to specialized hardware are explored and developed to address the computational requirements arising in complex systems simulations. The aim of this book is to present a representative overview of contemporary large-scale computing technologies in the context of complex systems simulations applications. The intention is to identify new research directions in this field and

  1. Large-Scale Analysis of Network Bistability for Human Cancers

    Science.gov (United States)

    Shiraishi, Tetsuya; Matsuyama, Shinako; Kitano, Hiroaki

    2010-01-01

    Protein–protein interaction and gene regulatory networks are likely to be locked in a state corresponding to a disease by the behavior of one or more bistable circuits exhibiting switch-like behavior. Sets of genes could be over-expressed or repressed when anomalies due to disease appear, and the circuits responsible for this over- or under-expression might persist for as long as the disease state continues. This paper shows how a large-scale analysis of network bistability for various human cancers can identify genes that can potentially serve as drug targets or diagnosis biomarkers. PMID:20628618

  2. Development of Large-Scale Spacecraft Fire Safety Experiments

    DEFF Research Database (Denmark)

    Ruff, Gary A.; Urban, David L.; Fernandez-Pello, A. Carlos

    2013-01-01

    exploration missions outside of low-earth orbit and accordingly, more complex in terms of operations, logistics, and safety. This will increase the challenge of ensuring a fire-safe environment for the crew throughout the mission. Based on our fundamental uncertainty of the behavior of fires in low...... of the spacecraft fire safety risk. The activity of this project is supported by an international topical team of fire experts from other space agencies who conduct research that is integrated into the overall experiment design. The large-scale space flight experiment will be conducted in an Orbital Sciences...

  3. Large scale obscuration and related climate effects open literature bibliography

    International Nuclear Information System (INIS)

    Russell, N.A.; Geitgey, J.; Behl, Y.K.; Zak, B.D.

    1994-05-01

    Large scale obscuration and related climate effects of nuclear detonations first became a matter of concern in connection with the so-called ''Nuclear Winter Controversy'' in the early 1980's. Since then, the world has changed. Nevertheless, concern remains about the atmospheric effects of nuclear detonations, but the source of concern has shifted. Now it focuses less on global, and more on regional effects and their resulting impacts on the performance of electro-optical and other defense-related systems. This bibliography reflects the modified interest

  4. Large Scale Composite Manufacturing for Heavy Lift Launch Vehicles

    Science.gov (United States)

    Stavana, Jacob; Cohen, Leslie J.; Houseal, Keth; Pelham, Larry; Lort, Richard; Zimmerman, Thomas; Sutter, James; Western, Mike; Harper, Robert; Stuart, Michael

    2012-01-01

    Risk reduction for the large scale composite manufacturing is an important goal to produce light weight components for heavy lift launch vehicles. NASA and an industry team successfully employed a building block approach using low-cost Automated Tape Layup (ATL) of autoclave and Out-of-Autoclave (OoA) prepregs. Several large, curved sandwich panels were fabricated at HITCO Carbon Composites. The aluminum honeycomb core sandwich panels are segments of a 1/16th arc from a 10 meter cylindrical barrel. Lessons learned highlight the manufacturing challenges required to produce light weight composite structures such as fairings for heavy lift launch vehicles.

  5. Large Scale Simulations of the Euler Equations on GPU Clusters

    KAUST Repository

    Liebmann, Manfred

    2010-08-01

    The paper investigates the scalability of a parallel Euler solver, using the Vijayasundaram method, on a GPU cluster with 32 Nvidia Geforce GTX 295 boards. The aim of this research is to enable large scale fluid dynamics simulations with up to one billion elements. We investigate communication protocols for the GPU cluster to compensate for the slow Gigabit Ethernet network between the GPU compute nodes and to maintain overall efficiency. A diesel engine intake-port and a nozzle, meshed in different resolutions, give good real world examples for the scalability tests on the GPU cluster. © 2010 IEEE.

  6. Enabling Large-Scale Biomedical Analysis in the Cloud

    Directory of Open Access Journals (Sweden)

    Ying-Chih Lin

    2013-01-01

    Full Text Available Recent progress in high-throughput instrumentations has led to an astonishing growth in both volume and complexity of biomedical data collected from various sources. The planet-size data brings serious challenges to the storage and computing technologies. Cloud computing is an alternative to crack the nut because it gives concurrent consideration to enable storage and high-performance computing on large-scale data. This work briefly introduces the data intensive computing system and summarizes existing cloud-based resources in bioinformatics. These developments and applications would facilitate biomedical research to make the vast amount of diversification data meaningful and usable.

  7. Large-scale structure in the universe: Theory vs observations

    International Nuclear Information System (INIS)

    Kashlinsky, A.; Jones, B.J.T.

    1990-01-01

    A variety of observations constrain models of the origin of large scale cosmic structures. We review here the elements of current theories and comment in detail on which of the current observational data provide the principal constraints. We point out that enough observational data have accumulated to constrain (and perhaps determine) the power spectrum of primordial density fluctuations over a very large range of scales. We discuss the theories in the light of observational data and focus on the potential of future observations in providing even (and ever) tighter constraints. (orig.)

  8. Current status of large-scale cryogenic gravitational wave telescope

    International Nuclear Information System (INIS)

    Kuroda, K; Ohashi, M; Miyoki, S; Uchiyama, T; Ishitsuka, H; Yamamoto, K; Kasahara, K; Fujimoto, M-K; Kawamura, S; Takahashi, R; Yamazaki, T; Arai, K; Tatsumi, D; Ueda, A; Fukushima, M; Sato, S; Nagano, S; Tsunesada, Y; Zhu, Zong-Hong; Shintomi, T; Yamamoto, A; Suzuki, T; Saito, Y; Haruyama, T; Sato, N; Higashi, Y; Tomaru, T; Tsubono, K; Ando, M; Takamori, A; Numata, K; Aso, Y; Ueda, K-I; Yoneda, H; Nakagawa, K; Musha, M; Mio, N; Moriwaki, S; Somiya, K; Araya, A; Kanda, N; Telada, S; Tagoshi, H; Nakamura, T; Sasaki, M; Tanaka, T; Oohara, K; Takahashi, H; Miyakawa, O; Tobar, M E

    2003-01-01

    The large-scale cryogenic gravitational wave telescope (LCGT) project is the proposed advancement of TAMA, which will be able to detect the coalescences of binary neutron stars occurring in our galaxy. LCGT intends to detect the coalescence events within about 240 Mpc, the rate of which is expected to be from 0.1 to several events in a year. LCGT has Fabry-Perot cavities of 3 km baseline and the mirrors are cooled down to a cryogenic temperature of 20 K. It is planned to be built in the underground of Kamioka mine. This paper overviews the revision of the design and the current status of the R and D

  9. Large scale obscuration and related climate effects open literature bibliography

    Energy Technology Data Exchange (ETDEWEB)

    Russell, N.A.; Geitgey, J.; Behl, Y.K.; Zak, B.D.

    1994-05-01

    Large scale obscuration and related climate effects of nuclear detonations first became a matter of concern in connection with the so-called ``Nuclear Winter Controversy`` in the early 1980`s. Since then, the world has changed. Nevertheless, concern remains about the atmospheric effects of nuclear detonations, but the source of concern has shifted. Now it focuses less on global, and more on regional effects and their resulting impacts on the performance of electro-optical and other defense-related systems. This bibliography reflects the modified interest.

  10. Properties of large-scale methane/hydrogen jet fires

    Energy Technology Data Exchange (ETDEWEB)

    Studer, E. [CEA Saclay, DEN, LTMF Heat Transfer and Fluid Mech Lab, 91 - Gif-sur-Yvette (France); Jamois, D.; Leroy, G.; Hebrard, J. [INERIS, F-60150 Verneuil En Halatte (France); Jallais, S. [Air Liquide, F-78350 Jouy En Josas (France); Blanchetiere, V. [GDF SUEZ, 93 - La Plaine St Denis (France)

    2009-12-15

    A future economy based on reduction of carbon-based fuels for power generation and transportation may consider hydrogen as possible energy carrier Extensive and widespread use of hydrogen might require a pipeline network. The alternatives might be the use of the existing natural gas network or to design a dedicated network. Whatever the solution, mixing hydrogen with natural gas will modify the consequences of accidents, substantially The French National Research Agency (ANR) funded project called HYDROMEL focuses on these critical questions Within this project large-scale jet fires have been studied experimentally and numerically The main characteristics of these flames including visible length, radiation fluxes and blowout have been assessed. (authors)

  11. Large-Scale Graph Processing Using Apache Giraph

    KAUST Repository

    Sakr, Sherif; Orakzai, Faisal Moeen; Abdelaziz, Ibrahim; Khayyat, Zuhair

    2017-01-01

    This book takes its reader on a journey through Apache Giraph, a popular distributed graph processing platform designed to bring the power of big data processing to graph data. Designed as a step-by-step self-study guide for everyone interested in large-scale graph processing, it describes the fundamental abstractions of the system, its programming models and various techniques for using the system to process graph data at scale, including the implementation of several popular and advanced graph analytics algorithms.

  12. Multidimensional quantum entanglement with large-scale integrated optics

    DEFF Research Database (Denmark)

    Wang, Jianwei; Paesani, Stefano; Ding, Yunhong

    2018-01-01

    -dimensional entanglement. A programmable bipartite entangled system is realized with dimension up to 15 × 15 on a large-scale silicon-photonics quantum circuit. The device integrates more than 550 photonic components on a single chip, including 16 identical photon-pair sources. We verify the high precision, generality......The ability to control multidimensional quantum systems is key for the investigation of fundamental science and for the development of advanced quantum technologies. We demonstrate a multidimensional integrated quantum photonic platform able to generate, control and analyze high...

  13. Status of large scale wind turbine technology development abroad?

    Institute of Scientific and Technical Information of China (English)

    Ye LI; Lei DUAN

    2016-01-01

    To facilitate the large scale (multi-megawatt) wind turbine development in China, the foreign e?orts and achievements in the area are reviewed and summarized. Not only the popular horizontal axis wind turbines on-land but also the o?shore wind turbines, vertical axis wind turbines, airborne wind turbines, and shroud wind turbines are discussed. The purpose of this review is to provide a comprehensive comment and assessment about the basic work principle, economic aspects, and environmental impacts of turbines.

  14. Cosmological parameters from large scale structure - geometric versus shape information

    CERN Document Server

    Hamann, Jan; Lesgourgues, Julien; Rampf, Cornelius; Wong, Yvonne Y Y

    2010-01-01

    The matter power spectrum as derived from large scale structure (LSS) surveys contains two important and distinct pieces of information: an overall smooth shape and the imprint of baryon acoustic oscillations (BAO). We investigate the separate impact of these two types of information on cosmological parameter estimation, and show that for the simplest cosmological models, the broad-band shape information currently contained in the SDSS DR7 halo power spectrum (HPS) is by far superseded by geometric information derived from the baryonic features. An immediate corollary is that contrary to popular beliefs, the upper limit on the neutrino mass m_\

  15. Test on large-scale seismic isolation elements, 2

    International Nuclear Information System (INIS)

    Mazda, T.; Moteki, M.; Ishida, K.; Shiojiri, H.; Fujita, T.

    1991-01-01

    Seismic isolation test program of Central Research Inst. of Electric Power Industry (CRIEPI) to apply seismic isolation to Fast Breeder Reactor (FBR) plant was started in 1987. In this test program, demonstration test of seismic isolation elements was considered as one of the most important research items. Facilities for testing seismic isolation elements were built in Abiko Research Laboratory of CRIEPI. Various tests of large-scale seismic isolation elements were conducted up to this day. Many important test data to develop design technical guidelines was obtained. (author)

  16. Testing Inflation with Large Scale Structure: Connecting Hopes with Reality

    International Nuclear Information System (INIS)

    Alvarez, Marcello; Baldauf, T.; Bond, J. Richard; Dalal, N.; Putter, R. D.; Dore, O.; Green, Daniel; Hirata, Chris; Huang, Zhiqi; Huterer, Dragan; Jeong, Donghui; Johnson, Matthew C.; Krause, Elisabeth; Loverde, Marilena; Meyers, Joel; Meeburg, Daniel; Senatore, Leonardo; Shandera, Sarah; Silverstein, Eva; Slosar, Anze; Smith, Kendrick; Zaldarriaga, Matias; Assassi, Valentin; Braden, Jonathan; Hajian, Amir; Kobayashi, Takeshi; Stein, George; Engelen, Alexander van

    2014-01-01

    The statistics of primordial curvature fluctuations are our window into the period of inflation, where these fluctuations were generated. To date, the cosmic microwave background has been the dominant source of information about these perturbations. Large-scale structure is, however, from where drastic improvements should originate. In this paper, we explain the theoretical motivations for pursuing such measurements and the challenges that lie ahead. In particular, we discuss and identify theoretical targets regarding the measurement of primordial non-Gaussianity. We argue that when quantified in terms of the local (equilateral) template amplitude floc\

  17. Design techniques for large scale linear measurement systems

    International Nuclear Information System (INIS)

    Candy, J.V.

    1979-03-01

    Techniques to design measurement schemes for systems modeled by large scale linear time invariant systems, i.e., physical systems modeled by a large number (> 5) of ordinary differential equations, are described. The techniques are based on transforming the physical system model to a coordinate system facilitating the design and then transforming back to the original coordinates. An example of a three-stage, four-species, extraction column used in the reprocessing of spent nuclear fuel elements is presented. The basic ideas are briefly discussed in the case of noisy measurements. An example using a plutonium nitrate storage vessel (reprocessing) with measurement uncertainty is also presented

  18. How Large-Scale Research Facilities Connect to Global Research

    DEFF Research Database (Denmark)

    Lauto, Giancarlo; Valentin, Finn

    2013-01-01

    Policies for large-scale research facilities (LSRFs) often highlight their spillovers to industrial innovation and their contribution to the external connectivity of the regional innovation system hosting them. Arguably, the particular institutional features of LSRFs are conducive for collaborative...... research. However, based on data on publications produced in 2006–2009 at the Neutron Science Directorate of Oak Ridge National Laboratory in Tennessee (United States), we find that internationalization of its collaborative research is restrained by coordination costs similar to those characterizing other...

  19. Novel algorithm of large-scale simultaneous linear equations

    International Nuclear Information System (INIS)

    Fujiwara, T; Hoshi, T; Yamamoto, S; Sogabe, T; Zhang, S-L

    2010-01-01

    We review our recently developed methods of solving large-scale simultaneous linear equations and applications to electronic structure calculations both in one-electron theory and many-electron theory. This is the shifted COCG (conjugate orthogonal conjugate gradient) method based on the Krylov subspace, and the most important issue for applications is the shift equation and the seed switching method, which greatly reduce the computational cost. The applications to nano-scale Si crystals and the double orbital extended Hubbard model are presented.

  20. Exploiting multi-scale parallelism for large scale numerical modelling of laser wakefield accelerators

    International Nuclear Information System (INIS)

    Fonseca, R A; Vieira, J; Silva, L O; Fiuza, F; Davidson, A; Tsung, F S; Mori, W B

    2013-01-01

    A new generation of laser wakefield accelerators (LWFA), supported by the extreme accelerating fields generated in the interaction of PW-Class lasers and underdense targets, promises the production of high quality electron beams in short distances for multiple applications. Achieving this goal will rely heavily on numerical modelling to further understand the underlying physics and identify optimal regimes, but large scale modelling of these scenarios is computationally heavy and requires the efficient use of state-of-the-art petascale supercomputing systems. We discuss the main difficulties involved in running these simulations and the new developments implemented in the OSIRIS framework to address these issues, ranging from multi-dimensional dynamic load balancing and hybrid distributed/shared memory parallelism to the vectorization of the PIC algorithm. We present the results of the OASCR Joule Metric program on the issue of large scale modelling of LWFA, demonstrating speedups of over 1 order of magnitude on the same hardware. Finally, scalability to over ∼10 6 cores and sustained performance over ∼2 P Flops is demonstrated, opening the way for large scale modelling of LWFA scenarios. (paper)