A tool for simulating parallel branch-and-bound methods

NASA Astrophysics Data System (ADS)

Golubeva, Yana; Orlov, Yury; Posypkin, Mikhail

2016-01-01

The Branch-and-Bound method is known as one of the most powerful but very resource consuming global optimization methods. Parallel and distributed computing can efficiently cope with this issue. The major difficulty in parallel B&B method is the need for dynamic load redistribution. Therefore design and study of load balancing algorithms is a separate and very important research topic. This paper presents a tool for simulating parallel Branchand-Bound method. The simulator allows one to run load balancing algorithms with various numbers of processors, sizes of the search tree, the characteristics of the supercomputer's interconnect thereby fostering deep study of load distribution strategies. The process of resolution of the optimization problem by B&B method is replaced by a stochastic branching process. Data exchanges are modeled using the concept of logical time. The user friendly graphical interface to the simulator provides efficient visualization and convenient performance analysis.

Simulation Tool for Dielectric Barrier Discharge Plasma Actuators

NASA Technical Reports Server (NTRS)

Likhanskii, Alexander

2014-01-01

Traditional approaches for active flow separation control using dielectric barrier discharge (DBD) plasma actuators are limited to relatively low speed flows and atmospheric conditions. This results in low feasibility of the DBDs for aerospace applications. For active flow control at turbine blades, fixed wings, and rotary wings and on hypersonic vehicles, DBD plasma actuators must perform at a wide range of conditions, including rarified flows and combustion mixtures. An efficient, comprehensive, physically based DBD simulation tool can optimize DBD plasma actuators for different operation conditions. Researchers are developing a DBD plasma actuator simulation tool for a wide range of ambient gas pressures. The tool will treat DBD using either kinetic, fluid, or hybrid models, depending on the DBD operational condition.

Sensitivity of simulated conservation practice effectiveness to representation of field and in-stream processes in the Little River Watershed

USDA-ARS?s Scientific Manuscript database

Evaluating the effectiveness of conservation practices (CPs) is an important step to achieving efficient and successful water quality management. Watershed-scale simulation models can provide useful and convenient tools for this evaluation, but simulated conservation practice effectiveness should be...

Resolving Off-Nominal Situations in Schedule-Based Terminal Area Operations: Results from a Human-in-the-Loop Simulation

NASA Technical Reports Server (NTRS)

Mercer, Joey; Callantine, Todd; Martin, Lynne

2012-01-01

A recent human-in-the-loop simulation in the Airspace Operations Laboratory (AOL) at NASA's Ames Research Center investigated the robustness of Controller-Managed Spacing (CMS) operations. CMS refers to AOL-developed controller tools and procedures for enabling arrivals to conduct efficient Optimized Profile Descents with sustained high throughput. The simulation provided a rich data set for examining how a traffic management supervisor and terminal-area controller participants used the CMS tools and coordinated to respond to off-nominal events. This paper proposes quantitative measures for characterizing the participants responses. Case studies of go-around events, replicated during the simulation, provide insights into the strategies employed and the role the CMS tools played in supporting them.

Front panel engineering with CAD simulation tool

NASA Astrophysics Data System (ADS)

Delacour, Jacques; Ungar, Serge; Mathieu, Gilles; Hasna, Guenther; Martinez, Pascal; Roche, Jean-Christophe

1999-04-01

THe progress made recently in display technology covers many fields of application. The specification of radiance, colorimetry and lighting efficiency creates some new challenges for designers. Photometric design is limited by the capability of correctly predicting the result of a lighting system, to save on the costs and time taken to build multiple prototypes or bread board benches. The second step of the research carried out by company OPTIS is to propose an optimization method to be applied to the lighting system, developed in the software SPEOS. The main features of the tool requires include the CAD interface, to enable fast and efficient transfer between mechanical and light design software, the source modeling, the light transfer model and an optimization tool. The CAD interface is mainly a prototype of transfer, which is not the subjects here. Photometric simulation is efficiently achieved by using the measured source encoding and a simulation by the Monte Carlo method. Today, the advantages and the limitations of the Monte Carlo method are well known. The noise reduction requires a long calculation time, which increases with the complexity of the display panel. A successful optimization is difficult to achieve, due to the long calculation time required for each optimization pass including a Monte Carlo simulation. The problem was initially defined as an engineering method of study. The experience shows that good understanding and mastering of the phenomenon of light transfer is limited by the complexity of non sequential propagation. The engineer must call for the help of a simulation and optimization tool. The main point needed to be able to perform an efficient optimization is a quick method for simulating light transfer. Much work has been done in this area and some interesting results can be observed. It must be said that the Monte Carlo method wastes time calculating some results and information which are not required for the needs of the simulation. Low efficiency transfer system cost a lot of lost time. More generally, the light transfer simulation can be treated efficiently when the integrated result is composed of elementary sub results that include quick analytical calculated intersections. The first axis of research appear. The quick integration research and the quick calculation of geometric intersections. The first axis of research brings some general solutions also valid for multi-reflection systems. The second axis requires some deep thinking on the intersection calculation. An interesting way is the subdivision of space in VOXELS. This is an adapted method of 3D division of space according to the objects and their location. An experimental software has been developed to provide a validation of the method. The gain is particularly high in complex systems. An important reduction in the calculation time has been achieved.

Development of a Tool for an Efficient Calibration of CORSIM Models

DOT National Transportation Integrated Search

2014-08-01

This project proposes a Memetic Algorithm (MA) for the calibration of microscopic traffic flow simulation models. The proposed MA includes a combination of genetic and simulated annealing algorithms. The genetic algorithm performs the exploration of ...

Development of efficient and cost-effective distributed hydrological modeling tool MWEasyDHM based on open-source MapWindow GIS

NASA Astrophysics Data System (ADS)

Lei, Xiaohui; Wang, Yuhui; Liao, Weihong; Jiang, Yunzhong; Tian, Yu; Wang, Hao

2011-09-01

Many regions are still threatened with frequent floods and water resource shortage problems in China. Consequently, the task of reproducing and predicting the hydrological process in watersheds is hard and unavoidable for reducing the risks of damage and loss. Thus, it is necessary to develop an efficient and cost-effective hydrological tool in China as many areas should be modeled. Currently, developed hydrological tools such as Mike SHE and ArcSWAT (soil and water assessment tool based on ArcGIS) show significant power in improving the precision of hydrological modeling in China by considering spatial variability both in land cover and in soil type. However, adopting developed commercial tools in such a large developing country comes at a high cost. Commercial modeling tools usually contain large numbers of formulas, complicated data formats, and many preprocessing or postprocessing steps that may make it difficult for the user to carry out simulation, thus lowering the efficiency of the modeling process. Besides, commercial hydrological models usually cannot be modified or improved to be suitable for some special hydrological conditions in China. Some other hydrological models are open source, but integrated into commercial GIS systems. Therefore, by integrating hydrological simulation code EasyDHM, a hydrological simulation tool named MWEasyDHM was developed based on open-source MapWindow GIS, the purpose of which is to establish the first open-source GIS-based distributed hydrological model tool in China by integrating modules of preprocessing, model computation, parameter estimation, result display, and analysis. MWEasyDHM provides users with a friendly manipulating MapWindow GIS interface, selectable multifunctional hydrological processing modules, and, more importantly, an efficient and cost-effective hydrological simulation tool. The general construction of MWEasyDHM consists of four major parts: (1) a general GIS module for hydrological analysis, (2) a preprocessing module for modeling inputs, (3) a model calibration module, and (4) a postprocessing module. The general GIS module for hydrological analysis is developed on the basis of totally open-source GIS software, MapWindow, which contains basic GIS functions. The preprocessing module is made up of three submodules including a DEM-based submodule for hydrological analysis, a submodule for default parameter calculation, and a submodule for the spatial interpolation of meteorological data. The calibration module contains parallel computation, real-time computation, and visualization. The postprocessing module includes model calibration and model results spatial visualization using tabular form and spatial grids. MWEasyDHM makes it possible for efficient modeling and calibration of EasyDHM, and promises further development of cost-effective applications in various watersheds.

Coupling the Multizone Airflow and Contaminant Transport Software CONTAM with EnergyPlus Using Co-Simulation.

PubMed

Dols, W Stuart; Emmerich, Steven J; Polidoro, Brian J

2016-08-01

Building modelers need simulation tools capable of simultaneously considering building energy use, airflow and indoor air quality (IAQ) to design and evaluate the ability of buildings and their systems to meet today's demanding energy efficiency and IAQ performance requirements. CONTAM is a widely-used multizone building airflow and contaminant transport simulation tool that requires indoor temperatures as input values. EnergyPlus is a prominent whole-building energy simulation program capable of performing heat transfer calculations that require interzone and infiltration airflows as input values. On their own, each tool is limited in its ability to account for thermal processes upon which building airflow may be significantly dependent and vice versa. This paper describes the initial phase of coupling of CONTAM with EnergyPlus to capture the interdependencies between airflow and heat transfer using co-simulation that allows for sharing of data between independently executing simulation tools. The coupling is accomplished based on the Functional Mock-up Interface (FMI) for Co-simulation specification that provides for integration between independently developed tools. A three-zone combined heat transfer/airflow analytical BESTEST case was simulated to verify the co-simulation is functioning as expected, and an investigation of a two-zone, natural ventilation case designed to challenge the coupled thermal/airflow solution methods was performed.

Progress Toward an Efficient and General CFD Tool for Propulsion Design/Analysis

NASA Technical Reports Server (NTRS)

Cox, C. F.; Cinnella, P.; Westmoreland, S.

1996-01-01

The simulation of propulsive flows inherently involves chemical activity. Recent years have seen substantial strides made in the development of numerical schemes for reacting flowfields, in particular those involving finite-rate chemistry. However, finite-rate calculations are computationally intensive and require knowledge of the actual kinetics, which are not always known with sufficient accuracy. Alternatively, flow simulations based on the assumption of local chemical equilibrium are capable of obtaining physically reasonable results at far less computational cost. The present study summarizes the development of efficient numerical techniques for the simulation of flows in local chemical equilibrium, whereby a 'Black Box' chemical equilibrium solver is coupled to the usual gasdynamic equations. The generalization of the methods enables the modelling of any arbitrary mixture of thermally perfect gases, including air, combustion mixtures and plasmas. As demonstration of the potential of the methodologies, several solutions, involving reacting and perfect gas flows, will be presented. Included is a preliminary simulation of the SSME startup transient. Future enhancements to the proposed techniques will be discussed, including more efficient finite-rate and hybrid (partial equilibrium) schemes. The algorithms that have been developed and are being optimized provide for an efficient and general tool for the design and analysis of propulsion systems.

Simulation of laser radar tooling ball measurements: focus dependence

NASA Astrophysics Data System (ADS)

Smith, Daniel G.; Slotwinski, Anthony; Hedges, Thomas

2015-10-01

The Nikon Metrology Laser Radar system focuses a beam from a fiber to a target object and receives the light scattered from the target through the same fiber. The system can, among other things, make highly accurate measurements of the position of a tooling ball by locating the angular position of peak signal quality, which is related to the fiber coupling efficiency. This article explores the relationship between fiber coupling efficiency and focus condition.

[Tools for laparoscopic skill development - available trainers and simulators].

PubMed

Jaksa, László; Haidegger, Tamás; Galambos, Péter; Kiss, Rita

2017-10-01

The laparoscopic minimally invasive surgical technique is widely employed on a global scale. However, the efficient and ethical teaching of this technique requires equipment for surgical simulation. These educational devices are present on the market in the form of box trainers and virtual reality simulators, or some combination of those. In this article, we present a systematic overview of commercially available surgical simulators describing the most important features of each product. Our overview elaborates on box trainers and virtual reality simulators, and also touches on surgical robotics simulators, together with operating room workflow simulators, for the sake of completeness. Apart from presenting educational tools, we evaluated the literature of laparoscopic surgical education and simulation, to provide a complete picture of the unfolding trends in this field. Orv Hetil. 2017; 158(40): 1570-1576.

Efficient simulation of press hardening process through integrated structural and CFD analyses

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

Palaniswamy, Hariharasudhan; Mondalek, Pamela; Wronski, Maciek

Press hardened steel parts are being increasingly used in automotive structures for their higher strength to meet safety standards while reducing vehicle weight to improve fuel consumption. However, manufacturing of sheet metal parts by press hardening process to achieve desired properties is extremely challenging as it involves complex interaction of plastic deformation, metallurgical change, thermal distribution, and fluid flow. Numerical simulation is critical for successful design of the process and to understand the interaction among the numerous process parameters to control the press hardening process in order to consistently achieve desired part properties. Until now there has been no integratedmore » commercial software solution that can efficiently model the complete process from forming of the blank, heat transfer between the blank and tool, microstructure evolution in the blank, heat loss from tool to the fluid that flows through water channels in the tools. In this study, a numerical solution based on Altair HyperWorks® product suite involving RADIOSS®, a non-linear finite element based structural analysis solver and AcuSolve®, an incompressible fluid flow solver based on Galerkin Least Square Finite Element Method have been utilized to develop an efficient solution for complete press hardening process design and analysis. RADIOSS is used to handle the plastic deformation, heat transfer between the blank and tool, and microstructure evolution in the blank during cooling. While AcuSolve is used to efficiently model heat loss from tool to the fluid that flows through water channels in the tools. The approach is demonstrated through some case studies.« less

Massively parallel multicanonical simulations

NASA Astrophysics Data System (ADS)

Gross, Jonathan; Zierenberg, Johannes; Weigel, Martin; Janke, Wolfhard

2018-03-01

Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free-energy landscapes. As Markov chain methods, they are inherently serial computationally. It was demonstrated recently, however, that a combination of independent simulations that communicate weight updates at variable intervals allows for the efficient utilization of parallel computational resources for multicanonical simulations. Implementing this approach for the many-thread architecture provided by current generations of graphics processing units (GPUs), we show how it can be efficiently employed with of the order of 104 parallel walkers and beyond, thus constituting a versatile tool for Monte Carlo simulations in the era of massively parallel computing. We provide the fully documented source code for the approach applied to the paradigmatic example of the two-dimensional Ising model as starting point and reference for practitioners in the field.

The Effectiveness of a Route Crossing Tool in a Simulated New York Airspace

NASA Technical Reports Server (NTRS)

Parke, Bonny; Chevalley, Eric; Bienert, Nancy; Lee, Paul; Gonter, Kari; Omar, Faisal; Kraut, Joshua; Yoo, Hyo-Sang; Borade, Abhay; Gabriel, Conrad;

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data

NASA Astrophysics Data System (ADS)

Shkurti, Ardita; Goni, Ramon; Andrio, Pau; Breitmoser, Elena; Bethune, Iain; Orozco, Modesto; Laughton, Charles A.

The biomolecular simulation community is currently in need of novel and optimised software tools that can analyse and process, in reasonable timescales, the large generated amounts of molecular simulation data. In light of this, we have developed and present here pyPcazip: a suite of software tools for compression and analysis of molecular dynamics (MD) simulation data. The software is compatible with trajectory file formats generated by most contemporary MD engines such as AMBER, CHARMM, GROMACS and NAMD, and is MPI parallelised to permit the efficient processing of very large datasets. pyPcazip is a Unix based open-source software (BSD licenced) written in Python.

Circuit design tool. User's manual, revision 2

NASA Technical Reports Server (NTRS)

Miyake, Keith M.; Smith, Donald E.

1992-01-01

The CAM chip design was produced in a UNIX software environment using a design tool that supports definition of digital electronic modules, composition of these modules into higher level circuits, and event-driven simulation of these circuits. Our design tool provides an interface whose goals include straightforward but flexible primitive module definition and circuit composition, efficient simulation, and a debugging environment that facilitates design verification and alteration. The tool provides a set of primitive modules which can be composed into higher level circuits. Each module is a C-language subroutine that uses a set of interface protocols understood by the design tool. Primitives can be altered simply by recoding their C-code image; in addition new primitives can be added allowing higher level circuits to be described in C-code rather than as a composition of primitive modules--this feature can greatly enhance the speed of simulation.

An efficient 3-D eddy-current solver using an independent impedance method for transcranial magnetic stimulation.

PubMed

De Geeter, Nele; Crevecoeur, Guillaume; Dupre, Luc

2011-02-01

In many important bioelectromagnetic problem settings, eddy-current simulations are required. Examples are the reduction of eddy-current artifacts in magnetic resonance imaging and techniques, whereby the eddy currents interact with the biological system, like the alteration of the neurophysiology due to transcranial magnetic stimulation (TMS). TMS has become an important tool for the diagnosis and treatment of neurological diseases and psychiatric disorders. A widely applied method for simulating the eddy currents is the impedance method (IM). However, this method has to contend with an ill conditioned problem and consequently a long convergence time. When dealing with optimal design problems and sensitivity control, the convergence rate becomes even more crucial since the eddy-current solver needs to be evaluated in an iterative loop. Therefore, we introduce an independent IM (IIM), which improves the conditionality and speeds up the numerical convergence. This paper shows how IIM is based on IM and what are the advantages. Moreover, the method is applied to the efficient simulation of TMS. The proposed IIM achieves superior convergence properties with high time efficiency, compared to the traditional IM and is therefore a useful tool for accurate and fast TMS simulations.

Self-learning Monte Carlo method

DOE PAGES

Liu, Junwei; Qi, Yang; Meng, Zi Yang; ...

2017-01-04

Monte Carlo simulation is an unbiased numerical tool for studying classical and quantum many-body systems. One of its bottlenecks is the lack of a general and efficient update algorithm for large size systems close to the phase transition, for which local updates perform badly. In this Rapid Communication, we propose a general-purpose Monte Carlo method, dubbed self-learning Monte Carlo (SLMC), in which an efficient update algorithm is first learned from the training data generated in trial simulations and then used to speed up the actual simulation. Lastly, we demonstrate the efficiency of SLMC in a spin model at the phasemore » transition point, achieving a 10–20 times speedup.« less

Hybrid ODE/SSA methods and the cell cycle model

NASA Astrophysics Data System (ADS)

Wang, S.; Chen, M.; Cao, Y.

2017-07-01

Stochastic effect in cellular systems has been an important topic in systems biology. Stochastic modeling and simulation methods are important tools to study stochastic effect. Given the low efficiency of stochastic simulation algorithms, the hybrid method, which combines an ordinary differential equation (ODE) system with a stochastic chemically reacting system, shows its unique advantages in the modeling and simulation of biochemical systems. The efficiency of hybrid method is usually limited by reactions in the stochastic subsystem, which are modeled and simulated using Gillespie's framework and frequently interrupt the integration of the ODE subsystem. In this paper we develop an efficient implementation approach for the hybrid method coupled with traditional ODE solvers. We also compare the efficiency of hybrid methods with three widely used ODE solvers RADAU5, DASSL, and DLSODAR. Numerical experiments with three biochemical models are presented. A detailed discussion is presented for the performances of three ODE solvers.

Improving the sampling efficiency of Monte Carlo molecular simulations: an evolutionary approach

NASA Astrophysics Data System (ADS)

Leblanc, Benoit; Braunschweig, Bertrand; Toulhoat, Hervé; Lutton, Evelyne

We present a new approach in order to improve the convergence of Monte Carlo (MC) simulations of molecular systems belonging to complex energetic landscapes: the problem is redefined in terms of the dynamic allocation of MC move frequencies depending on their past efficiency, measured with respect to a relevant sampling criterion. We introduce various empirical criteria with the aim of accounting for the proper convergence in phase space sampling. The dynamic allocation is performed over parallel simulations by means of a new evolutionary algorithm involving 'immortal' individuals. The method is bench marked with respect to conventional procedures on a model for melt linear polyethylene. We record significant improvement in sampling efficiencies, thus in computational load, while the optimal sets of move frequencies are liable to allow interesting physical insights into the particular systems simulated. This last aspect should provide a new tool for designing more efficient new MC moves.

First-Principle Simulation of Blast Barrier Effectiveness for the Development of Simplified Design Tools

DTIC Science & Technology

2010-12-01

Simulation of Free -Field Blast ........................................................................45 27. (a) Peak Incident Pressure and (b...several types of problems involving blast propagation. Mastin et al. (1995) compared CTH simulations to free -field incident pressure as predicted by...a measure of accuracy and efficiency. To provide this direct comparison, a series of 2D-axisymmetric free -field air blast simulations were

SUNREL Related Links | Buildings | NREL

Science.gov Websites

SUNREL Related Links SUNREL Related Links DOE Simulation Software Tools Directory a directory of 301 building software tools for evaluation of energy efficiency, renewable energy, and sustainability in buildings. TREAT Software Program a computer program that uses SUNREL and is designed to provide

Impact and Penetration Simulations for Composite Wing-like Structures

NASA Technical Reports Server (NTRS)

Knight, Norman F.

1998-01-01

The goal of this research project was to develop methodologies for the analysis of wing-like structures subjected to impact loadings. Low-speed impact causing either no damage or only minimal damage and high-speed impact causing severe laminate damage and possible penetration of the structure were to be considered during this research effort. To address this goal, an assessment of current analytical tools for impact analysis was performed. Assessment of the analytical tools for impact and penetration simulations with regard to accuracy, modeling, and damage modeling was considered as well as robustness, efficient, and usage in a wing design environment. Following a qualitative assessment, selected quantitative evaluations will be performed using the leading simulation tools. Based on this assessment, future research thrusts for impact and penetration simulation of composite wing-like structures were identified.

Successes and Challenges of Incompressible Flow Simulation

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin

2003-01-01

During the past thirty years, numerical methods and simulation tools for incompressible flows have been advanced as a subset of CFD discipline. Even though incompressible flows are encountered in many areas of engineering, simulation of compressible flow has been the major driver for developing computational algorithms and tools. This is probably due to rather stringent requirements for predicting aerodynamic performance characteristics of flight vehicles, while flow devices involving low speed or incompressible flow could be reasonably well designed without resorting to accurate numerical simulations. As flow devices are required to be more sophisticated and highly efficient, CFD tools become indispensable in fluid engineering for incompressible and low speed flow. This paper is intended to review some of the successes made possible by advances in computational technologies during the same period, and discuss some of the current challenges.

The value of SPaCE in delivering patient feedback.

PubMed

Clapham, Laura; Allan, Laura; Stirling, Kevin

2016-02-01

The use of simulated patients (SPs) within undergraduate medical curricula is an established and valued learning opportunity. Within the context of simulation, it is imperative to capture feedback from all participants within the simulation activity. The Simulated Patient Candidate Evaluation (SPaCE) tool was developed to deliver SP feedback following a simulation activity. SpaCE is a closed feedback tool that allows SPs to rate a student's performance, using a five-point Likert scale, in three domains: attitude; interaction skills; and management. This research study examined the value of the SPaCE tool and how it contributes to the overall feedback that a student receives. Classical test theory was used to determine the reliability of the SPaCE tool. An evaluation of all SP responses was conducted to observe trends in scoring patterns for each question. Qualitative data were collected via a free-text questionnaire and subsequent focus group discussion. It is imperative to capture feedback from all participants within the simulation activity Classical test theory determined that the SPaCE tool had a reliability co-efficient of 0.89. A total of 13 SPs replied to the questionnaire. A thematic analysis of all questionnaire data identified that the SPaCE tool provides a structure that allows patient feedback to be given effectively following a simulation activity. These themes were discussed further with six SPs who attended the subsequent focus group session. The SPaCE tool has been shown to be a reliable closed feedback tool that allows SPs to discriminate between students, based on their performance. The next stage in the development of the SPaCE tool is to test the wider applicability of this feedback tool. © 2015 John Wiley & Sons Ltd.

Electronic Systems for Spacecraft Vehicles: Required EDA Tools

NASA Technical Reports Server (NTRS)

Bachnak, Rafic

1999-01-01

The continuous increase in complexity of electronic systems is making the design and manufacturing of such systems more challenging than ever before. As a result, designers are finding it impossible to design efficient systems without the use of sophisticated Electronic Design Automation (EDA) tools. These tools offer integrated simulation of the electrical, mechanical, and manufacturing functions and lead to a correct by design methodology. This report identifies the EDA tools that would be needed to design, analyze, simulate, and evaluate electronic systems for spacecraft vehicles. In addition, the report presents recommendations to enhance the current JSC electronic design capabilities. This includes cost information and a discussion as to the impact, both positive and negative, of implementing the recommendations.

Development of Advanced Light-Duty Powertrain and Hybrid Analysis Tool (SAE 2013-01-0808)

EPA Science Inventory

The Advanced Light-Duty Powertrain and Hybrid Analysis tool was created by Environmental Protection Agency to evaluate the Greenhouse gas emissions and fuel efficiency from light-duty vehicles. It is a physics-based, forward-looking, full vehicle computer simulator, which is cap...

DEVELOPING A CAPE-OPEN COMPLIANT METAL FINISHING FACILITY POLLUTION PREVENTION TOOL (CO-MFFP2T)

EPA Science Inventory

The USEPA is developing a Computer Aided Process Engineering (CAPE) software tool for the metal finishing industry that helps users design efficient metal finishing processes that are less polluting to the environment. Metal finishing process lines can be simulated and evaluated...

XS: a FASTQ read simulator.

PubMed

Pratas, Diogo; Pinho, Armando J; Rodrigues, João M O S

2014-01-16

The emerging next-generation sequencing (NGS) is bringing, besides the natural huge amounts of data, an avalanche of new specialized tools (for analysis, compression, alignment, among others) and large public and private network infrastructures. Therefore, a direct necessity of specific simulation tools for testing and benchmarking is rising, such as a flexible and portable FASTQ read simulator, without the need of a reference sequence, yet correctly prepared for producing approximately the same characteristics as real data. We present XS, a skilled FASTQ read simulation tool, flexible, portable (does not need a reference sequence) and tunable in terms of sequence complexity. It has several running modes, depending on the time and memory available, and is aimed at testing computing infrastructures, namely cloud computing of large-scale projects, and testing FASTQ compression algorithms. Moreover, XS offers the possibility of simulating the three main FASTQ components individually (headers, DNA sequences and quality-scores). XS provides an efficient and convenient method for fast simulation of FASTQ files, such as those from Ion Torrent (currently uncovered by other simulators), Roche-454, Illumina and ABI-SOLiD sequencing machines. This tool is publicly available at http://bioinformatics.ua.pt/software/xs/.

A study with ESI PAM-STAMP® on the influence of tool deformation on final part quality during a forming process

NASA Astrophysics Data System (ADS)

Vrolijk, Mark; Ogawa, Takayuki; Camanho, Arthur; Biasutti, Manfredi; Lorenz, David

2018-05-01

As a result from the ever increasing demand to produce lighter vehicles, more and more advanced high-strength materials are used in automotive industry. Focusing on sheet metal cold forming processes, these materials require high pressing forces and exhibit large springback after forming. Due to the high pressing forces deformations occur in the tooling geometry, introducing dimensional inaccuracies in the blank and potentially impact the final springback behavior. As a result the tool deformations can have an impact on the final assembly or introduce cosmetic defects. Often several iterations are required in try-out to obtain the required tolerances, with costs going up to as much as 30% of the entire product development cost. To investigate the sheet metal part feasibility and quality, in automotive industry CAE tools are widely used. However, in current practice the influence of the tool deformations on the final part quality is generally neglected and simulations are carried out with rigid tools to avoid drastically increased calculation times. If the tool deformation is analyzed through simulation it is normally done at the end of the drawing prosses, when contact conditions are mapped on the die structure and a static analysis is performed to check the deflections of the tool. But this method does not predict the influence of these deflections on the final quality of the part. In order to take tool deformations into account during drawing simulations, ESI has developed the ability to couple solvers efficiently in a way the tool deformations can be real-time included in the drawing simulation without high increase in simulation time compared to simulations with rigid tools. In this paper a study will be presented which demonstrates the effect of tool deformations on the final part quality.

On extending parallelism to serial simulators

NASA Technical Reports Server (NTRS)

Nicol, David; Heidelberger, Philip

1994-01-01

This paper describes an approach to discrete event simulation modeling that appears to be effective for developing portable and efficient parallel execution of models of large distributed systems and communication networks. In this approach, the modeler develops submodels using an existing sequential simulation modeling tool, using the full expressive power of the tool. A set of modeling language extensions permit automatically synchronized communication between submodels; however, the automation requires that any such communication must take a nonzero amount off simulation time. Within this modeling paradigm, a variety of conservative synchronization protocols can transparently support conservative execution of submodels on potentially different processors. A specific implementation of this approach, U.P.S. (Utilitarian Parallel Simulator), is described, along with performance results on the Intel Paragon.

Energy Losses Estimation During Pulsed-Laser Seam Welding

NASA Astrophysics Data System (ADS)

Sebestova, Hana; Havelkova, Martina; Chmelickova, Hana

2014-06-01

The finite-element tool SYSWELD (ESI Group, Paris, France) was adapted to simulate pulsed-laser seam welding. Besides temperature field distribution, one of the possible outputs of the welding simulation is the amount of absorbed power necessary to melt the required material volume including energy losses. Comparing absorbed or melting energy with applied laser energy, welding efficiencies can be calculated. This article presents achieved results of welding efficiency estimation based on the assimilation both experimental and simulation output data of the pulsed Nd:YAG laser bead on plate welding of 0.6-mm-thick AISI 304 stainless steel sheets using different beam powers.

Study on Ultra-deep Azimuthal Electromagnetic Resistivity LWD Tool by Influence Quantification on Azimuthal Depth of Investigation and Real Signal

NASA Astrophysics Data System (ADS)

Li, Kesai; Gao, Jie; Ju, Xiaodong; Zhu, Jun; Xiong, Yanchun; Liu, Shuai

2018-05-01

This paper proposes a new tool design of ultra-deep azimuthal electromagnetic (EM) resistivity logging while drilling (LWD) for deeper geosteering and formation evaluation, which can benefit hydrocarbon exploration and development. First, a forward numerical simulation of azimuthal EM resistivity LWD is created based on the fast Hankel transform (FHT) method, and its accuracy is confirmed under classic formation conditions. Then, a reasonable range of tool parameters is designed by analyzing the logging response. However, modern technological limitations pose challenges to selecting appropriate tool parameters for ultra-deep azimuthal detection under detectable signal conditions. Therefore, this paper uses grey relational analysis (GRA) to quantify the influence of tool parameters on voltage and azimuthal investigation depth. After analyzing thousands of simulation data under different environmental conditions, the random forest is used to fit data and identify an optimal combination of tool parameters due to its high efficiency and accuracy. Finally, the structure of the ultra-deep azimuthal EM resistivity LWD tool is designed with a theoretical azimuthal investigation depth of 27.42-29.89 m in classic different isotropic and anisotropic formations. This design serves as a reliable theoretical foundation for efficient geosteering and formation evaluation in high-angle and horizontal (HA/HZ) wells in the future.

AF-Shell 1.0 User Guide

NASA Technical Reports Server (NTRS)

McElroy, Mark W.

2017-01-01

This document serves as a user guide for the AF-Shell 1.0 software, an efficient tool for progressive damage simulation in composite laminates. This guide contains minimal technical material and is meant solely as a guide for a new user to apply AF-Shell 1.0 to laminate damage simulation problems.

Can 3D Gamified Simulations Be Valid Vocational Training Tools for Persons with Intellectual Disability? An Experiment Based on a Real-life Situation.

PubMed

von Barnekow, Ariel; Bonet-Codina, Núria; Tost, Dani

2017-03-23

To investigate if 3D gamified simulations can be valid vocational training tools for persons with intellectual disability. A 3D gamified simulation composed by a set of training tasks for cleaning in hostelry was developed in collaboration with professionals of a real hostel and pedagogues of a special needs school. The learning objectives focus on the acquisition of vocabulary skills, work procedures, social abilities and risk prevention. Several accessibility features were developed to make the tasks easy to do from a technological point-of-view. A pilot experiment was conducted to test the pedagogical efficacy of this tool on intellectually disabled workers and students. User scores in the gamified simulation follow a curve of increasing progression. When confronted with reality, they recognized the scenario and tried to reproduce what they had learned in the simulation. Finally, they were interested in the tool, they showed a strong feeling of immersion and engagement, and they reported having fun. On the basis of this experiment we believe that 3D gamified simulations can be efficient tools to train social and professional skills of persons with intellectual disabilities contributing thus to foster their social inclusion through work.

On the powerful use of simulations in the quake-catcher network to efficiently position low-cost earthquake sensors

USGS Publications Warehouse

Benson, K.; Estrada, T.; Taufer, M.; Lawrence, J.; Cochran, E.

2011-01-01

The Quake-Catcher Network (QCN) uses low-cost sensors connected to volunteer computers across the world to monitor seismic events. The location and density of these sensors' placement can impact the accuracy of the event detection. Because testing different special arrangements of new sensors could disrupt the currently active project, this would best be accomplished in a simulated environment. This paper presents an accurate and efficient framework for simulating the low cost QCN sensors and identifying their most effective locations and densities. Results presented show how our simulations are reliable tools to study diverse scenarios under different geographical and infrastructural constraints. ?? 2011 IEEE.

SARDA: An Integrated Concept for Airport Surface Operations Management

NASA Technical Reports Server (NTRS)

Gupta, Gautam; Hoang, Ty; Jung, Yoon Chul

2013-01-01

The Spot and Runway Departure Advisor (SARDA) is an integrated decision support tool for airlines and air traffic control tower enabling surface collaborative decision making (CDM) and departure metering in order to enhance efficiency of surface operations at congested airports. The presentation describes the concept and architecture of the SARDA as a CDM tool, and the results from a human-in-the-loop simulation of the tool conducted in 2012 at the FutureFlight Central, the tower simulation facility. Also, presented is the current activities and future plan for SARDA development. The presentation was given at the meeting with the FAA senior advisor of the Surface Operations Office.

Commercial Building Energy Asset Score

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

This software (Asset Scoring Tool) is designed to help building owners and managers to gain insight into the as-built efficiency of their buildings. It is a web tool where users can enter their building information and obtain an asset score report. The asset score report consists of modeled building energy use (by end use and by fuel type), building systems (envelope, lighting, heating, cooling, service hot water) evaluations, and recommended energy efficiency measures. The intended users are building owners and operators who have limited knowledge of building energy efficiency. The scoring tool collects minimum building data (~20 data entries) frommore » users and build a full-scale energy model using the inference functionalities from Facility Energy Decision System (FEDS). The scoring tool runs real-time building energy simulation using EnergyPlus and performs life-cycle cost analysis using FEDS. An API is also under development to allow the third-party applications to exchange data with the web service of the scoring tool.« less

Methodological Foundations for Designing Intelligent Computer-Based Training

DTIC Science & Technology

1991-09-03

student models, graphic forms, version control data structures, flowcharts , etc. Circuit simulations are an obvious case. A circuit, after all, can... flowcharts as a basic data structure, and we were able to generalize our tools to create a flowchart drawing tool for inputting both the appearance and...the meaning of flowcharts efficiently. For the Sherlock work, we built a tool that permitted inputting of information about front panels and

LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation

NASA Astrophysics Data System (ADS)

Barnes, Brian C.; Leiter, Kenneth W.; Becker, Richard; Knap, Jaroslaw; Brennan, John K.

2017-07-01

We describe the development, accuracy, and efficiency of an automation package for molecular simulation, the large-scale atomic/molecular massively parallel simulator (LAMMPS) integrated materials engine (LIME). Heuristics and algorithms employed for equation of state (EOS) calculation using a particle-based model of a molecular crystal, hexahydro-1,3,5-trinitro-s-triazine (RDX), are described in detail. The simulation method for the particle-based model is energy-conserving dissipative particle dynamics, but the techniques used in LIME are generally applicable to molecular dynamics simulations with a variety of particle-based models. The newly created tool set is tested through use of its EOS data in plate impact and Taylor anvil impact continuum simulations of solid RDX. The coarse-grain model results from LIME provide an approach to bridge the scales from atomistic simulations to continuum simulations.

Virtual Observatories for Space Physics Observations and Simulations: New Routes to Efficient Access and Visualization

NASA Technical Reports Server (NTRS)

Roberts, Aaron

2005-01-01

New tools for data access and visualization promise to make the analysis of space plasma data both more efficient and more powerful, especially for answering questions about the global structure and dynamics of the Sun-Earth system. We will show how new existing tools (particularly the Virtual Space Physics Observatory-VSPO-and the Visual System for Browsing, Analysis and Retrieval of Data-ViSBARD; look for the acronyms in Google) already provide rapid access to such information as spacecraft orbits, browse plots, and detailed data, as well as visualizations that can quickly unite our view of multispacecraft observations. We will show movies illustrating multispacecraft observations of the solar wind and magnetosphere during a magnetic storm, and of simulations of 3 0-spacecraft observations derived from MHD simulations of the magnetosphere sampled along likely trajectories of the spacecraft for the MagCon mission. An important issue remaining to be solved is how best to integrate simulation data and services into the Virtual Observatory environment, and this talk will hopefully stimulate further discussion along these lines.

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

Han, S; Ji, Y; Kim, K

Purpose: A diagnostics Multileaf Collimator (MLC) was designed for diagnostic radiography dose reduction. Monte Carlo simulation was used to evaluate efficiency of shielding material for producing leaves of Multileaf collimator. Material & Methods: The general radiography unit (Rex-650R, Listem, Korea) was modeling with Monte Carlo simulation (MCNPX, LANL, USA) and we used SRS-78 program to calculate the energy spectrum of tube voltage (80, 100, 120 kVp). The shielding materials was SKD 11 alloy tool steel that is composed of 1.6% carbon(C), 0.4% silicon (Si), 0.6% manganese (Mn), 5% chromium (Cr), 1% molybdenum (Mo), and vanadium (V). The density of itmore » was 7.89 g/m3. We simulated leafs diagnostic MLC using SKD 11 with general radiography unit. We calculated efficiency of diagnostic MLC using tally6 card of MCNPX depending on energy. Results: The diagnostic MLC consisted of 25 individual metal shielding leaves on both sides, with dimensions of 10 × 0.5 × 0.5 cm3. The leaves of MLC were controlled by motors positioned on both sides of the MLC. According to energy (tube voltage), the shielding efficiency of MLC in Monte Carlo simulation was 99% (80 kVp), 96% (100 kVp) and 93% (120 kVp). Conclusion: We certified efficiency of diagnostic MLC fabricated from SKD11 alloy tool steel. Based on the results, the diagnostic MLC was designed. We will make the diagnostic MLC for dose reduction of diagnostic radiography.« less

Interactive graphic editing tools in bioluminescent imaging simulation

NASA Astrophysics Data System (ADS)

Li, Hui; Tian, Jie; Luo, Jie; Wang, Ge; Cong, Wenxiang

2005-04-01

It is a challenging task to accurately describe complicated biological tissues and bioluminescent sources in bioluminescent imaging simulation. Several graphic editing tools have been developed to efficiently model each part of the bioluminescent simulation environment and to interactively correct or improve the initial models of anatomical structures or bioluminescent sources. There are two major types of graphic editing tools: non-interactive tools and interactive tools. Geometric building blocks (i.e. regular geometric graphics and superquadrics) are applied as non-interactive tools. To a certain extent, complicated anatomical structures and bioluminescent sources can be approximately modeled by combining a sufficient large number of geometric building blocks with Boolean operators. However, those models are too simple to describe the local features and fine changes in 2D/3D irregular contours. Therefore, interactive graphic editing tools have been developed to facilitate the local modifications of any initial surface model. With initial models composed of geometric building blocks, interactive spline mode is applied to conveniently perform dragging and compressing operations on 2D/3D local surface of biological tissues and bioluminescent sources inside the region/volume of interest. Several applications of the interactive graphic editing tools will be presented in this article.

Adjoint-Based Aerodynamic Design of Complex Aerospace Configurations

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.

2016-01-01

An overview of twenty years of adjoint-based aerodynamic design research at NASA Langley Research Center is presented. Adjoint-based algorithms provide a powerful tool for efficient sensitivity analysis of complex large-scale computational fluid dynamics (CFD) simulations. Unlike alternative approaches for which computational expense generally scales with the number of design parameters, adjoint techniques yield sensitivity derivatives of a simulation output with respect to all input parameters at the cost of a single additional simulation. With modern large-scale CFD applications often requiring millions of compute hours for a single analysis, the efficiency afforded by adjoint methods is critical in realizing a computationally tractable design optimization capability for such applications.

De-quantisation

NASA Astrophysics Data System (ADS)

Gruska, Jozef

2012-06-01

One of the most basic tasks in quantum information processing, communication and security (QIPCC) research, theoretically deep and practically important, is to find bounds on how really important are inherently quantum resources for speeding up computations. This area of research is bringing a variety of results that imply, often in a very unexpected and counter-intuitive way, that: (a) surprisingly large classes of quantum circuits and algorithms can be efficiently simulated on classical computers; (b) the border line between quantum processes that can and cannot be efficiently simulated on classical computers is often surprisingly thin; (c) the addition of a seemingly very simple resource or a tool often enormously increases the power of available quantum tools. These discoveries have put also a new light on our understanding of quantum phenomena and quantum physics and on the potential of its inherently quantum and often mysteriously looking phenomena. The paper motivates and surveys research and its outcomes in the area of de-quantisation, especially presents various approaches and their outcomes concerning efficient classical simulations of various families of quantum circuits and algorithms. To motivate this area of research some outcomes in the area of de-randomization of classical randomized computations.

Self-Learning Monte Carlo Method

NASA Astrophysics Data System (ADS)

Liu, Junwei; Qi, Yang; Meng, Zi Yang; Fu, Liang

Monte Carlo simulation is an unbiased numerical tool for studying classical and quantum many-body systems. One of its bottlenecks is the lack of general and efficient update algorithm for large size systems close to phase transition or with strong frustrations, for which local updates perform badly. In this work, we propose a new general-purpose Monte Carlo method, dubbed self-learning Monte Carlo (SLMC), in which an efficient update algorithm is first learned from the training data generated in trial simulations and then used to speed up the actual simulation. We demonstrate the efficiency of SLMC in a spin model at the phase transition point, achieving a 10-20 times speedup. This work is supported by the DOE Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0010526.

Combined distribution functions: A powerful tool to identify cation coordination geometries in liquid systems

NASA Astrophysics Data System (ADS)

Sessa, Francesco; D'Angelo, Paola; Migliorati, Valentina

2018-01-01

In this work we have developed an analytical procedure to identify metal ion coordination geometries in liquid media based on the calculation of Combined Distribution Functions (CDFs) starting from Molecular Dynamics (MD) simulations. CDFs provide a fingerprint which can be easily and unambiguously assigned to a reference polyhedron. The CDF analysis has been tested on five systems and has proven to reliably identify the correct geometries of several ion coordination complexes. This tool is simple and general and can be efficiently applied to different MD simulations of liquid systems.

Operational Characteristics Identification and Simulation Model Verification for Incheon International Airport

NASA Technical Reports Server (NTRS)

Eun, Yeonju; Jeon, Daekeun; Lee, Hanbong; Zhu, Zhifan; Jung, Yoon C.; Jeong, Myeongsook; Kim, Hyounkyong; Oh, Eunmi; Hong, Sungkwon; Lee, Junwon

2016-01-01

Incheon International Airport (ICN) is one of the hub airports in East Asia. Airport operations at ICN have been growing more than 5% per year in the past five years. According to the current airport expansion plan, a new passenger terminal will be added and the current cargo ramp will be expanded in 2018. This expansion project will bring 77 new stands without adding a new runway to the airport. Due to such continuous growth in airport operations and future expansion of the ramps, it will be highly likely that airport surface traffic will experience more congestion, and therefore, suffer from efficiency degradation. There is a growing awareness in aviation research community of need for strategic and tactical surface scheduling capabilities for efficient airport surface operations. Specific to ICN airport operations, a need for A-CDM (Airport - Collaborative Decision Making) or S-CDM(Surface - Collaborative Decision Making), and controller decision support tools for efficient air traffic management has arisen since several years ago. In the United States, there has been independent research efforts made by academia, industry, and government research organizations to enhance efficiency and predictability of surface operations at busy airports. Among these research activities, the Spot and Runway Departure Advisor (SARDA) developed and tested by National Aeronautics and Space Administration (NASA) is a decision support tool to provide tactical advisories to the controllers for efficient surface operations. The effectiveness of SARDA concept, was successfully verified through the human-in-the-loop (HITL) simulations for both spot release and runway operations advisories for ATC Tower controllers of Dallas/Fort Worth International Airport (DFW) in 2010 and 2012, and gate pushback advisories for the ramp controller of Charlotte/Douglas International Airport (CLT) in 2014. The SARDA concept for tactical surface scheduling is further enhanced and is being integrated into NASA's Airspace Technology Demonstration - 2 (ATD-2) project for technology demonstration of Integrated Arrival/Departure/Surface (ADS) operations at CLT. This study is a part of the international research collaboration between KAIA (Korea Agency for Infrastructure Technology Advancement)/KARI (Korea Aerospace Research Institute) and NASA, which is being conducted to validate the effectiveness of SARDA concept as a controller decision support tool for departure and surface management of ICN. This paper presents the preliminary results of the collaboration effort. It includes investigation of the operational environment of ICN, data analysis for identification of the operational characteristics of the airport, construction and verification of airport simulation model using Surface Operations Simulator and Scheduler (SOSS), NASA's fast-time simulation tool.

Operational Characteristics Identification and Simulation Model Verification for Incheon International Airport

NASA Technical Reports Server (NTRS)

Eun, Yeonju; Jeon, Daekeun; Lee, Hanbong; Zhu, Zhifan; Jung, Yoon C.; Jeong, Myeongsook; Kim, Hyounkyong; Oh, Eunmi; Hong, Sungkwon; Lee, Junwon

2016-01-01

Incheon International Airport (ICN) is one of the hub airports in East Asia. Airport operations at ICN have been growing more than 5 percent per year in the past five years. According to the current airport expansion plan, a new passenger terminal will be added and the current cargo ramp will be expanded in 2018. This expansion project will bring 77 new stands without adding a new runway to the airport. Due to such continuous growth in airport operations and future expansion of the ramps, it will be highly likely that airport surface traffic will experience more congestion, and therefore, suffer from efficiency degradation. There is a growing awareness in aviation research community of need for strategic and tactical surface scheduling capabilities for efficient airport surface operations. Specific to ICN airport operations, a need for A-CDM (Airport - Collaborative Decision Making) or S-CDM (Surface - Collaborative Decision Making), and controller decision support tools for efficient air traffic management has arisen since several years ago. In the United States, there has been independent research efforts made by academia, industry, and government research organizations to enhance efficiency and predictability of surface operations at busy airports. Among these research activities, the Spot and Runway Departure Advisor (SARDA) developed and tested by National Aeronautics and Space Administration (NASA) is a decision support tool to provide tactical advisories to the controllers for efficient surface operations. The effectiveness of SARDA concept, was successfully verified through the human-in-the-loop (HITL) simulations for both spot release and runway operations advisories for ATC Tower controllers of Dallas-Fort Worth International Airport (DFW) in 2010 and 2012, and gate pushback advisories for the ramp controller of Charlotte-Douglas International Airport (CLT) in 2014. The SARDA concept for tactical surface scheduling is further enhanced and is being integrated into NASA's Airspace Technology Demonstration-2 (ATD-2) project for technology demonstration of Integrated Arrival-Departure-Surface (IADS) operations at CLT. This study is a part of the international research collaboration between KAIA (Korea Agency for Infrastructure Technology Advancement), KARI (Korea Aerospace Research Institute) and NASA, which is being conducted to validate the effectiveness of SARDA concept as a controller decision support tool for departure and surface management of ICN. This paper presents the preliminary results of the collaboration effort. It includes investigation of the operational environment of ICN, data analysis for identification of the operational characteristics of the airport, construction and verification of airport simulation model using Surface Operations Simulator and Scheduler (SOSS), NASA's fast-time simulation tool.

Methods and tools to simulate the effect of economic instruments in complex water resources systems. Application to the Jucar river basin.

NASA Astrophysics Data System (ADS)

Lopez-Nicolas, Antonio; Pulido-Velazquez, Manuel

2014-05-01

The main challenge of the BLUEPRINT to safeguard Europe's water resources (EC, 2012) is to guarantee that enough good quality water is available for people's needs, the economy and the environment. In this sense, economic policy instruments such as water pricing policies and water markets can be applied to enhance efficient use of water. This paper presents a method based on hydro-economic tools to assess the effect of economic instruments on water resource systems. Hydro-economic models allow integrated analysis of water supply, demand and infrastructure operation at the river basin scale, by simultaneously combining engineering, hydrologic and economic aspects of water resources management. The method made use of the simulation and optimization hydroeconomic tools SIMGAMS and OPTIGAMS. The simulation tool SIMGAMS allocates water resources among the users according to priorities and operating rules, and evaluate economic scarcity costs of the system by using economic demand functions. The model's objective function is designed so that the system aims to meet the operational targets (ranked according to priorities) at each month while following the system operating rules. The optimization tool OPTIGAMS allocates water resources based on an economic efficiency criterion: maximize net benefits, or alternatively, minimizing the total water scarcity and operating cost of water use. SIMGAS allows to simulate incentive water pricing policies based on marginal resource opportunity costs (MROC; Pulido-Velazquez et al., 2013). Storage-dependent step pricing functions are derived from the time series of MROC values at a certain reservoir in the system. These water pricing policies are defined based on water availability in the system (scarcity pricing), so that when water storage is high, the MROC is low, while low storage (drought periods) will be associated to high MROC and therefore, high prices. We also illustrate the use of OPTIGAMS to simulate the effect of ideal water markets by economic optimization, without considering the potential effect of transaction costs. These methods and tools have been applied to the Jucar River basin (Spain). The results show the potential of economic instruments in setting incentives for a more efficient management of water resources systems. Acknowledgments: The study has been partially supported by the European Community 7th Framework Project (GENESIS project, n. 226536), SAWARES (Plan Nacional I+D+i 2008-2011, CGL2009-13238-C02-01 and C02-02), SCARCE (Consolider-Ingenio 2010 CSD2009-00065) of the Spanish Ministry of Economy and Competitiveness; and EC 7th Framework Project ENHANCE (n. 308438) Reference: Pulido-Velazquez, M., Alvarez-Mendiola, E., and Andreu, J., 2013. Design of Efficient Water Pricing Policies Integrating Basinwide Resource Opportunity Costs. J. Water Resour. Plann. Manage., 139(5): 583-592.

Computer tools for systems engineering at LaRC

NASA Technical Reports Server (NTRS)

Walters, J. Milam

1994-01-01

The Systems Engineering Office (SEO) has been established to provide life cycle systems engineering support to Langley research Center projects. over the last two years, the computing market has been reviewed for tools which could enhance the effectiveness and efficiency of activities directed towards this mission. A group of interrelated applications have been procured, or are under development including a requirements management tool, a system design and simulation tool, and project and engineering data base. This paper will review the current configuration of these tools and provide information on future milestones and directions.

Analysis of simulated angiographic procedures. Part 2: extracting efficiency data from audio and video recordings.

PubMed

Duncan, James R; Kline, Benjamin; Glaiberman, Craig B

2007-04-01

To create and test methods of extracting efficiency data from recordings of simulated renal stent procedures. Task analysis was performed and used to design a standardized testing protocol. Five experienced angiographers then performed 16 renal stent simulations using the Simbionix AngioMentor angiographic simulator. Audio and video recordings of these simulations were captured from multiple vantage points. The recordings were synchronized and compiled. A series of efficiency metrics (procedure time, contrast volume, and tool use) were then extracted from the recordings. The intraobserver and interobserver variability of these individual metrics was also assessed. The metrics were converted to costs and aggregated to determine the fixed and variable costs of a procedure segment or the entire procedure. Task analysis and pilot testing led to a standardized testing protocol suitable for performance assessment. Task analysis also identified seven checkpoints that divided the renal stent simulations into six segments. Efficiency metrics for these different segments were extracted from the recordings and showed excellent intra- and interobserver correlations. Analysis of the individual and aggregated efficiency metrics demonstrated large differences between segments as well as between different angiographers. These differences persisted when efficiency was expressed as either total or variable costs. Task analysis facilitated both protocol development and data analysis. Efficiency metrics were readily extracted from recordings of simulated procedures. Aggregating the metrics and dividing the procedure into segments revealed potential insights that could be easily overlooked because the simulator currently does not attempt to aggregate the metrics and only provides data derived from the entire procedure. The data indicate that analysis of simulated angiographic procedures will be a powerful method of assessing performance in interventional radiology.

Effective Energy Simulation and Optimal Design of Side-lit Buildings with Venetian Blinds

NASA Astrophysics Data System (ADS)

Cheng, Tian

Venetian blinds are popularly used in buildings to control the amount of incoming daylight for improving visual comfort and reducing heat gains in air-conditioning systems. Studies have shown that the proper design and operation of window systems could result in significant energy savings in both lighting and cooling. However, there is no convenient computer tool that allows effective and efficient optimization of the envelope of side-lit buildings with blinds now. Three computer tools, Adeline, DOE2 and EnergyPlus widely used for the above-mentioned purpose have been experimentally examined in this study. Results indicate that the two former tools give unacceptable accuracy due to unrealistic assumptions adopted while the last one may generate large errors in certain conditions. Moreover, current computer tools have to conduct hourly energy simulations, which are not necessary for life-cycle energy analysis and optimal design, to provide annual cooling loads. This is not computationally efficient, particularly not suitable for optimal designing a building at initial stage because the impacts of many design variations and optional features have to be evaluated. A methodology is therefore developed for efficient and effective thermal and daylighting simulations and optimal design of buildings with blinds. Based on geometric optics and radiosity method, a mathematical model is developed to reasonably simulate the daylighting behaviors of venetian blinds. Indoor illuminance at any reference point can be directly and efficiently computed. They have been validated with both experiments and simulations with Radiance. Validation results show that indoor illuminances computed by the new models agree well with the measured data, and the accuracy provided by them is equivalent to that of Radiance. The computational efficiency of the new models is much higher than that of Radiance as well as EnergyPlus. Two new methods are developed for the thermal simulation of buildings. A fast Fourier transform (FFT) method is presented to avoid the root-searching process in the inverse Laplace transform of multilayered walls. Generalized explicit FFT formulae for calculating the discrete Fourier transform (DFT) are developed for the first time. They can largely facilitate the implementation of FFT. The new method also provides a basis for generating the symbolic response factors. Validation simulations show that it can generate the response factors as accurate as the analytical solutions. The second method is for direct estimation of annual or seasonal cooling loads without the need for tedious hourly energy simulations. It is validated by hourly simulation results with DOE2. Then symbolic long-term cooling load can be created by combining the two methods with thermal network analysis. The symbolic long-term cooling load can keep the design parameters of interest as symbols, which is particularly useful for the optimal design and sensitivity analysis. The methodology is applied to an office building in Hong Kong for the optimal design of building envelope. Design variables such as window-to-wall ratio, building orientation, and glazing optical and thermal properties are included in the study. Results show that the selected design values could significantly impact the energy performance of windows, and the optimal design of side-lit buildings could greatly enhance energy savings. The application example also demonstrates that the developed methodology significantly facilitates the optimal building design and sensitivity analysis, and leads to high computational efficiency.

Clinic Workflow Simulations using Secondary EHR Data

PubMed Central

Hribar, Michelle R.; Biermann, David; Read-Brown, Sarah; Reznick, Leah; Lombardi, Lorinna; Parikh, Mansi; Chamberlain, Winston; Yackel, Thomas R.; Chiang, Michael F.

2016-01-01

Clinicians today face increased patient loads, decreased reimbursements and potential negative productivity impacts of using electronic health records (EHR), but have little guidance on how to improve clinic efficiency. Discrete event simulation models are powerful tools for evaluating clinical workflow and improving efficiency, particularly when they are built from secondary EHR timing data. The purpose of this study is to demonstrate that these simulation models can be used for resource allocation decision making as well as for evaluating novel scheduling strategies in outpatient ophthalmology clinics. Key findings from this study are that: 1) secondary use of EHR timestamp data in simulation models represents clinic workflow, 2) simulations provide insight into the best allocation of resources in a clinic, 3) simulations provide critical information for schedule creation and decision making by clinic managers, and 4) simulation models built from EHR data are potentially generalizable. PMID:28269861

Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis

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

Peterson, Elena S.; Stephan, Eric G.; Corrigan, Abigail L.

2008-07-30

As computational resources continue to increase, the ability of computational simulations to effectively complement, and in some cases replace, experimentation in scientific exploration also increases. Today, large-scale simulations are recognized as an effective tool for scientific exploration in many disciplines including chemistry and biology. A natural side effect of this trend has been the need for an increasingly complex analytical environment. In this paper, we describe Northwest Trajectory Analysis Capability (NTRAC), an analytical software suite developed to enhance the efficiency of computational biophysics analyses. Our strategy is to layer higher-level services and introduce improved tools within the user’s familiar environmentmore » without preventing researchers from using traditional tools and methods. Our desire is to share these experiences to serve as an example for effectively analyzing data intensive large scale simulation data.« less

Collision detection and modeling of rigid and deformable objects in laparoscopic simulator

NASA Astrophysics Data System (ADS)

Dy, Mary-Clare; Tagawa, Kazuyoshi; Tanaka, Hiromi T.; Komori, Masaru

2015-03-01

Laparoscopic simulators are viable alternatives for surgical training and rehearsal. Haptic devices can also be incorporated with virtual reality simulators to provide additional cues to the users. However, to provide realistic feedback, the haptic device must be updated by 1kHz. On the other hand, realistic visual cues, that is, the collision detection and deformation between interacting objects must be rendered at least 30 fps. Our current laparoscopic simulator detects the collision between a point on the tool tip, and on the organ surfaces, in which haptic devices are attached on actual tool tips for realistic tool manipulation. The triangular-mesh organ model is rendered using a mass spring deformation model, or finite element method-based models. In this paper, we investigated multi-point-based collision detection on the rigid tool rods. Based on the preliminary results, we propose a method to improve the collision detection scheme, and speed up the organ deformation reaction. We discuss our proposal for an efficient method to compute simultaneous multiple collision between rigid (laparoscopic tools) and deformable (organs) objects, and perform the subsequent collision response, with haptic feedback, in real-time.

OXlearn: a new MATLAB-based simulation tool for connectionist models.

PubMed

Ruh, Nicolas; Westermann, Gert

2009-11-01

OXlearn is a free, platform-independent MATLAB toolbox in which standard connectionist neural network models can be set up, run, and analyzed by means of a user-friendly graphical interface. Due to its seamless integration with the MATLAB programming environment, the inner workings of the simulation tool can be easily inspected and/or extended using native MATLAB commands or components. This combination of usability, transparency, and extendability makes OXlearn an efficient tool for the implementation of basic research projects or the prototyping of more complex research endeavors, as well as for teaching. Both the MATLAB toolbox and a compiled version that does not require access to MATLAB can be downloaded from http://psych.brookes.ac.uk/oxlearn/.

Improving Building Energy Simulation Programs Through Diagnostic Testing (Fact Sheet)

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

Not Available

2012-02-01

New test procedure evaluates quality and accuracy of energy analysis tools for the residential building retrofit market. Reducing the energy use of existing homes in the United States offers significant energy-saving opportunities, which can be identified through building simulation software tools that calculate optimal packages of efficiency measures. To improve the accuracy of energy analysis for residential buildings, the National Renewable Energy Laboratory's (NREL) Buildings Research team developed the Building Energy Simulation Test for Existing Homes (BESTEST-EX), a method for diagnosing and correcting errors in building energy audit software and calibration procedures. BESTEST-EX consists of building physics and utility billmore » calibration test cases, which software developers can use to compare their tools simulation findings to reference results generated with state-of-the-art simulation tools. Overall, the BESTEST-EX methodology: (1) Tests software predictions of retrofit energy savings in existing homes; (2) Ensures building physics calculations and utility bill calibration procedures perform to a minimum standard; and (3) Quantifies impacts of uncertainties in input audit data and occupant behavior. BESTEST-EX is helping software developers identify and correct bugs in their software, as well as develop and test utility bill calibration procedures.« less

Efficient dispatching in a terminal city network

DOT National Transportation Integrated Search

2001-01-01

This report describes new optimization and simulation tools to address several problems in transportation, specifically driver dispatching and tour formation in full truckload trucking. In this segment of transportation industry, one of the problems ...

Innovative and Advanced Coupled Neutron Transport and Thermal Hydraulic Method (Tool) for the Design, Analysis and Optimization of VHTR/NGNP Prismatic Reactors

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

Rahnema, Farzad; Garimeela, Srinivas; Ougouag, Abderrafi

2013-11-29

This project will develop a 3D, advanced coarse mesh transport method (COMET-Hex) for steady- state and transient analyses in advanced very high-temperature reactors (VHTRs). The project will lead to a coupled neutronics and thermal hydraulic (T/H) core simulation tool with fuel depletion capability. The computational tool will be developed in hexagonal geometry, based solely on transport theory without (spatial) homogenization in complicated 3D geometries. In addition to the hexagonal geometry extension, collaborators will concurrently develop three additional capabilities to increase the code’s versatility as an advanced and robust core simulator for VHTRs. First, the project team will develop and implementmore » a depletion method within the core simulator. Second, the team will develop an elementary (proof-of-concept) 1D time-dependent transport method for efficient transient analyses. The third capability will be a thermal hydraulic method coupled to the neutronics transport module for VHTRs. Current advancements in reactor core design are pushing VHTRs toward greater core and fuel heterogeneity to pursue higher burn-ups, efficiently transmute used fuel, maximize energy production, and improve plant economics and safety. As a result, an accurate and efficient neutron transport, with capabilities to treat heterogeneous burnable poison effects, is highly desirable for predicting VHTR neutronics performance. This research project’s primary objective is to advance the state of the art for reactor analysis.« less

Validation of the ROMI-RIP rough mill simulator

Treesearch

Edward R. Thomas; Urs Buehlmann

2002-01-01

The USDA Forest Service's ROMI-RIP rough mill rip-first simulation program is a popular tool for analyzing rough mill conditions, determining more efficient rough mill practices, and finding optimal lumber board cut-up patterns. However, until now, the results generated by ROMI-RIP have not been rigorously compared to those of an actual rough mill. Validating the...

Simulated sawing of squares: a tool to improve wood utilization

Treesearch

R. Bruce Anderson; Hugh W. Reynolds

1981-01-01

Manufacturers of turning squares have had difficulty finding the best combination of bolt and square sizes for producing squares most efficiently. A computer simulation technique has been developed for inexpensively detemining the best combination of bolt and square size. Ranges of bolt dimeters to achieve a stated level of yield are given. The manufacturer can choose...

Ultra-low loss fully-etched grating couplers for perfectly vertical coupling compatible with DUV lithography tools

NASA Astrophysics Data System (ADS)

Dabos, G.; Pleros, N.; Tsiokos, D.

2016-03-01

Hybrid integration of VCSELs onto silicon-on-insulator (SOI) substrates has emerged as an attractive approach for bridging the gap between cost-effective and energy-efficient directly modulated laser sources and silicon-based PICs by leveraging flip-chip (FC) bonding techniques and silicon grating couplers (GCs). In this context, silicon GCs, should comply with the process requirements imposed by the complimentary-metal-oxide-semiconductor manufacturing tools addressing in parallel the challenges originating from the perfectly vertical incidence. Firstly, fully etched GCs compatible with deep-ultraviolet lithography tools offering high coupling efficiencies are imperatively needed to maintain low fabrication cost. Secondly, GC's tolerance to VCSEL bonding misalignment errors is a prerequisite for practical deployment. Finally, a major challenge originating from the perfectly vertical coupling scheme is the minimization of the direct back-reflection to the VCSEL's outgoing facet which may destabilize its operation. Motivated from the above challenges, we used numerical simulation tools to design an ultra-low loss, bidirectional VCSEL-to-SOI optical coupling scheme for either TE or TM polarization, based on low-cost fully etched GCs with a Si-layer of 340 nm without employing bottom reflectors or optimizing the buried-oxide layer. Comprehensive 2D Finite-Difference-Time- Domain simulations have been performed. The reported GC layout remains fully compatible with the back-end-of-line (BEOL) stack associated with the 3D integration technology exploiting all the inter-metal-dielectric (IMD) layers of the CMOS fab. Simulation results predicted for the first time in fully etched structures a coupling efficiency of as low as -0.87 dB at 1548 nm and -1.47 dB at 1560 nm with a minimum direct back-reflection of -27.4 dB and -14.2 dB for TE and TM polarization, respectively.

On Designing Multicore-Aware Simulators for Systems Biology Endowed with OnLine Statistics

PubMed Central

Calcagno, Cristina; Coppo, Mario

2014-01-01

The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big) data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed. PMID:25050327

On designing multicore-aware simulators for systems biology endowed with OnLine statistics.

PubMed

Aldinucci, Marco; Calcagno, Cristina; Coppo, Mario; Damiani, Ferruccio; Drocco, Maurizio; Sciacca, Eva; Spinella, Salvatore; Torquati, Massimo; Troina, Angelo

2014-01-01

The paper arguments are on enabling methodologies for the design of a fully parallel, online, interactive tool aiming to support the bioinformatics scientists .In particular, the features of these methodologies, supported by the FastFlow parallel programming framework, are shown on a simulation tool to perform the modeling, the tuning, and the sensitivity analysis of stochastic biological models. A stochastic simulation needs thousands of independent simulation trajectories turning into big data that should be analysed by statistic and data mining tools. In the considered approach the two stages are pipelined in such a way that the simulation stage streams out the partial results of all simulation trajectories to the analysis stage that immediately produces a partial result. The simulation-analysis workflow is validated for performance and effectiveness of the online analysis in capturing biological systems behavior on a multicore platform and representative proof-of-concept biological systems. The exploited methodologies include pattern-based parallel programming and data streaming that provide key features to the software designers such as performance portability and efficient in-memory (big) data management and movement. Two paradigmatic classes of biological systems exhibiting multistable and oscillatory behavior are used as a testbed.

A new approach to road accident rescue.

PubMed

Morales, Alejandro; González-Aguilera, Diego; López, Alfonso I; Gutiérrez, Miguel A

2016-01-01

This article develops and validates a new methodology and tool for rescue assistance in traffic accidents, with the aim of improving its efficiency and safety in the evacuation of people, reducing the number of victims in road accidents. Different tests supported by professionals and experts have been designed under different circumstances and with different categories of damaged vehicles coming from real accidents and simulated trapped victims in order to calibrate and refine the proposed methodology and tool. To validate this new approach, a tool called App_Rescue has been developed. This tool is based on the use of a computer system that allows an efficient access to the technical information of the vehicle and sanitary information of the common passengers. The time spent during rescue using the standard protocol and the proposed method was compared. This rescue assistance system allows us to make vital information accessible in posttrauma care services, improving the effectiveness of interventions by the emergency services, reducing the rescue time and therefore minimizing the consequences involved and the number of victims. This could often mean saving lives. In the different simulated rescue operations, the rescue time has been reduced an average of 14%.

SimVascular: An Open Source Pipeline for Cardiovascular Simulation.

PubMed

Updegrove, Adam; Wilson, Nathan M; Merkow, Jameson; Lan, Hongzhi; Marsden, Alison L; Shadden, Shawn C

2017-03-01

Patient-specific cardiovascular simulation has become a paradigm in cardiovascular research and is emerging as a powerful tool in basic, translational and clinical research. In this paper we discuss the recent development of a fully open-source SimVascular software package, which provides a complete pipeline from medical image data segmentation to patient-specific blood flow simulation and analysis. This package serves as a research tool for cardiovascular modeling and simulation, and has contributed to numerous advances in personalized medicine, surgical planning and medical device design. The SimVascular software has recently been refactored and expanded to enhance functionality, usability, efficiency and accuracy of image-based patient-specific modeling tools. Moreover, SimVascular previously required several licensed components that hindered new user adoption and code management and our recent developments have replaced these commercial components to create a fully open source pipeline. These developments foster advances in cardiovascular modeling research, increased collaboration, standardization of methods, and a growing developer community.

Dynamic Analyses of Result Quality in Energy-Aware Approximate Programs

NASA Astrophysics Data System (ADS)

RIngenburg, Michael F.

Energy efficiency is a key concern in the design of modern computer systems. One promising approach to energy-efficient computation, approximate computing, trades off output precision for energy efficiency. However, this tradeoff can have unexpected effects on computation quality. This thesis presents dynamic analysis tools to study, debug, and monitor the quality and energy efficiency of approximate computations. We propose three styles of tools: prototyping tools that allow developers to experiment with approximation in their applications, online tools that instrument code to determine the key sources of error, and online tools that monitor the quality of deployed applications in real time. Our prototyping tool is based on an extension to the functional language OCaml. We add approximation constructs to the language, an approximation simulator to the runtime, and profiling and auto-tuning tools for studying and experimenting with energy-quality tradeoffs. We also present two online debugging tools and three online monitoring tools. The first online tool identifies correlations between output quality and the total number of executions of, and errors in, individual approximate operations. The second tracks the number of approximate operations that flow into a particular value. Our online tools comprise three low-cost approaches to dynamic quality monitoring. They are designed to monitor quality in deployed applications without spending more energy than is saved by approximation. Online monitors can be used to perform real time adjustments to energy usage in order to meet specific quality goals. We present prototype implementations of all of these tools and describe their usage with several applications. Our prototyping, profiling, and autotuning tools allow us to experiment with approximation strategies and identify new strategies, our online tools succeed in providing new insights into the effects of approximation on output quality, and our monitors succeed in controlling output quality while still maintaining significant energy efficiency gains.

Limits to high-speed simulations of spiking neural networks using general-purpose computers.

PubMed

Zenke, Friedemann; Gerstner, Wulfram

2014-01-01

To understand how the central nervous system performs computations using recurrent neuronal circuitry, simulations have become an indispensable tool for theoretical neuroscience. To study neuronal circuits and their ability to self-organize, increasing attention has been directed toward synaptic plasticity. In particular spike-timing-dependent plasticity (STDP) creates specific demands for simulations of spiking neural networks. On the one hand a high temporal resolution is required to capture the millisecond timescale of typical STDP windows. On the other hand network simulations have to evolve over hours up to days, to capture the timescale of long-term plasticity. To do this efficiently, fast simulation speed is the crucial ingredient rather than large neuron numbers. Using different medium-sized network models consisting of several thousands of neurons and off-the-shelf hardware, we compare the simulation speed of the simulators: Brian, NEST and Neuron as well as our own simulator Auryn. Our results show that real-time simulations of different plastic network models are possible in parallel simulations in which numerical precision is not a primary concern. Even so, the speed-up margin of parallelism is limited and boosting simulation speeds beyond one tenth of real-time is difficult. By profiling simulation code we show that the run times of typical plastic network simulations encounter a hard boundary. This limit is partly due to latencies in the inter-process communications and thus cannot be overcome by increased parallelism. Overall, these results show that to study plasticity in medium-sized spiking neural networks, adequate simulation tools are readily available which run efficiently on small clusters. However, to run simulations substantially faster than real-time, special hardware is a prerequisite.

Java-based Graphical User Interface for MAVERIC-II

NASA Technical Reports Server (NTRS)

Seo, Suk Jai

2005-01-01

A computer program entitled "Marshall Aerospace Vehicle Representation in C II, (MAVERIC-II)" is a vehicle flight simulation program written primarily in the C programming language. It is written by James W. McCarter at NASA/Marshall Space Flight Center. The goal of the MAVERIC-II development effort is to provide a simulation tool that facilitates the rapid development of high-fidelity flight simulations for launch, orbital, and reentry vehicles of any user-defined configuration for all phases of flight. MAVERIC-II has been found invaluable in performing flight simulations for various Space Transportation Systems. The flexibility provided by MAVERIC-II has allowed several different launch vehicles, including the Saturn V, a Space Launch Initiative Two-Stage-to-Orbit concept and a Shuttle-derived launch vehicle, to be simulated during ascent and portions of on-orbit flight in an extremely efficient manner. It was found that MAVERIC-II provided the high fidelity vehicle and flight environment models as well as the program modularity to allow efficient integration, modification and testing of advanced guidance and control algorithms. In addition to serving as an analysis tool for techno logy development, many researchers have found MAVERIC-II to be an efficient, powerful analysis tool that evaluates guidance, navigation, and control designs, vehicle robustness, and requirements. MAVERIC-II is currently designed to execute in a UNIX environment. The input to the program is composed of three segments: 1) the vehicle models such as propulsion, aerodynamics, and guidance, navigation, and control 2) the environment models such as atmosphere and gravity, and 3) a simulation framework which is responsible for executing the vehicle and environment models and propagating the vehicle s states forward in time and handling user input/output. MAVERIC users prepare data files for the above models and run the simulation program. They can see the output on screen and/or store in files and examine the output data later. Users can also view the output stored in output files by calling a plotting program such as gnuplot. A typical scenario of the use of MAVERIC consists of three-steps; editing existing input data files, running MAVERIC, and plotting output results.

Structural Heterogeneity and Quantitative FRET Efficiency Distributions of Polyprolines through a Hybrid Atomistic Simulation and Monte Carlo Approach

PubMed Central

Hoefling, Martin; Lima, Nicola; Haenni, Dominik; Seidel, Claus A. M.; Schuler, Benjamin; Grubmüller, Helmut

2011-01-01

Förster Resonance Energy Transfer (FRET) experiments probe molecular distances via distance dependent energy transfer from an excited donor dye to an acceptor dye. Single molecule experiments not only probe average distances, but also distance distributions or even fluctuations, and thus provide a powerful tool to study biomolecular structure and dynamics. However, the measured energy transfer efficiency depends not only on the distance between the dyes, but also on their mutual orientation, which is typically inaccessible to experiments. Thus, assumptions on the orientation distributions and averages are usually made, limiting the accuracy of the distance distributions extracted from FRET experiments. Here, we demonstrate that by combining single molecule FRET experiments with the mutual dye orientation statistics obtained from Molecular Dynamics (MD) simulations, improved estimates of distances and distributions are obtained. From the simulated time-dependent mutual orientations, FRET efficiencies are calculated and the full statistics of individual photon absorption, energy transfer, and photon emission events is obtained from subsequent Monte Carlo (MC) simulations of the FRET kinetics. All recorded emission events are collected to bursts from which efficiency distributions are calculated in close resemblance to the actual FRET experiment, taking shot noise fully into account. Using polyproline chains with attached Alexa 488 and Alexa 594 dyes as a test system, we demonstrate the feasibility of this approach by direct comparison to experimental data. We identified cis-isomers and different static local environments as sources of the experimentally observed heterogeneity. Reconstructions of distance distributions from experimental data at different levels of theory demonstrate how the respective underlying assumptions and approximations affect the obtained accuracy. Our results show that dye fluctuations obtained from MD simulations, combined with MC single photon kinetics, provide a versatile tool to improve the accuracy of distance distributions that can be extracted from measured single molecule FRET efficiencies. PMID:21629703

Integration of Dynamic Models in Range Operations

NASA Technical Reports Server (NTRS)

Bardina, Jorge; Thirumalainambi, Rajkumar

2004-01-01

This work addresses the various model interactions in real-time to make an efficient internet based decision making tool for Shuttle launch. The decision making tool depends on the launch commit criteria coupled with physical models. Dynamic interaction between a wide variety of simulation applications and techniques, embedded algorithms, and data visualizations are needed to exploit the full potential of modeling and simulation. This paper also discusses in depth details of web based 3-D graphics and applications to range safety. The advantages of this dynamic model integration are secure accessibility and distribution of real time information to other NASA centers.

The numerical simulation tool for the MAORY multiconjugate adaptive optics system

NASA Astrophysics Data System (ADS)

Arcidiacono, C.; Schreiber, L.; Bregoli, G.; Diolaiti, E.; Foppiani, I.; Agapito, G.; Puglisi, A.; Xompero, M.; Oberti, S.; Cosentino, G.; Lombini, M.; Butler, R. C.; Ciliegi, P.; Cortecchia, F.; Patti, M.; Esposito, S.; Feautrier, P.

2016-07-01

The Multiconjugate Adaptive Optics RelaY (MAORY) is and Adaptive Optics module to be mounted on the ESO European-Extremely Large Telescope (E-ELT). It is an hybrid Natural and Laser Guide System that will perform the correction of the atmospheric turbulence volume above the telescope feeding the Multi-AO Imaging Camera for Deep Observations Near Infrared spectro-imager (MICADO). We developed an end-to-end Monte- Carlo adaptive optics simulation tool to investigate the performance of a the MAORY and the calibration, acquisition, operation strategies. MAORY will implement Multiconjugate Adaptive Optics combining Laser Guide Stars (LGS) and Natural Guide Stars (NGS) measurements. The simulation tool implement the various aspect of the MAORY in an end to end fashion. The code has been developed using IDL and use libraries in C++ and CUDA for efficiency improvements. Here we recall the code architecture, we describe the modeled instrument components and the control strategies implemented in the code.

Framework for Architecture Trade Study Using MBSE and Performance Simulation

NASA Technical Reports Server (NTRS)

Ryan, Jessica; Sarkani, Shahram; Mazzuchim, Thomas

2012-01-01

Increasing complexity in modern systems as well as cost and schedule constraints require a new paradigm of system engineering to fulfill stakeholder needs. Challenges facing efficient trade studies include poor tool interoperability, lack of simulation coordination (design parameters) and requirements flowdown. A recent trend toward Model Based System Engineering (MBSE) includes flexible architecture definition, program documentation, requirements traceability and system engineering reuse. As a new domain MBSE still lacks governing standards and commonly accepted frameworks. This paper proposes a framework for efficient architecture definition using MBSE in conjunction with Domain Specific simulation to evaluate trade studies. A general framework is provided followed with a specific example including a method for designing a trade study, defining candidate architectures, planning simulations to fulfill requirements and finally a weighted decision analysis to optimize system objectives.

Taxi Time Prediction at Charlotte Airport Using Fast-Time Simulation and Machine Learning Techniques

NASA Technical Reports Server (NTRS)

Lee, Hanbong

2016-01-01

Accurate taxi time prediction is required for enabling efficient runway scheduling that can increase runway throughput and reduce taxi times and fuel consumptions on the airport surface. Currently NASA and American Airlines are jointly developing a decision-support tool called Spot and Runway Departure Advisor (SARDA) that assists airport ramp controllers to make gate pushback decisions and improve the overall efficiency of airport surface traffic. In this presentation, we propose to use Linear Optimized Sequencing (LINOS), a discrete-event fast-time simulation tool, to predict taxi times and provide the estimates to the runway scheduler in real-time airport operations. To assess its prediction accuracy, we also introduce a data-driven analytical method using machine learning techniques. These two taxi time prediction methods are evaluated with actual taxi time data obtained from the SARDA human-in-the-loop (HITL) simulation for Charlotte Douglas International Airport (CLT) using various performance measurement metrics. Based on the taxi time prediction results, we also discuss how the prediction accuracy can be affected by the operational complexity at this airport and how we can improve the fast time simulation model before implementing it with an airport scheduling algorithm in a real-time environment.

Method for Evaluating Energy Use of Dishwashers, Clothes Washers, and Clothes Dryers: Preprint

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

Eastment, M.; Hendron, R.

Building America teams are researching opportunities to improve energy efficiency for some of the more challenging end-uses, such as lighting (both fixed and occupant-provided), appliances (clothes washer, dishwasher, clothes dryer, refrigerator, and range), and miscellaneous electric loads, which are all heavily dependent on occupant behavior and product choices. These end-uses have grown to be a much more significant fraction of total household energy use (as much as 50% for very efficient homes) as energy efficient homes have become more commonplace through programs such as ENERGY STAR and Building America. As modern appliances become more sophisticated the residential energy analyst ismore » faced with a daunting task in trying to calculate the energy savings of high efficiency appliances. Unfortunately, most whole-building simulation tools do not allow the input of detailed appliance specifications. Using DOE test procedures the method outlined in this paper presents a reasonable way to generate inputs for whole-building energy-simulation tools. The information necessary to generate these inputs is available on Energy-Guide labels, the ENERGY-STAR website, California Energy Commission's Appliance website and manufacturer's literature. Building America has developed a standard method for analyzing the effect of high efficiency appliances on whole-building energy consumption when compared to the Building America's Research Benchmark building.« less

Integration of SimSET photon history generator in GATE for efficient Monte Carlo simulations of pinhole SPECT.

PubMed

Chen, Chia-Lin; Wang, Yuchuan; Lee, Jason J S; Tsui, Benjamin M W

2008-07-01

The authors developed and validated an efficient Monte Carlo simulation (MCS) workflow to facilitate small animal pinhole SPECT imaging research. This workflow seamlessly integrates two existing MCS tools: simulation system for emission tomography (SimSET) and GEANT4 application for emission tomography (GATE). Specifically, we retained the strength of GATE in describing complex collimator/detector configurations to meet the anticipated needs for studying advanced pinhole collimation (e.g., multipinhole) geometry, while inserting the fast SimSET photon history generator (PHG) to circumvent the relatively slow GEANT4 MCS code used by GATE in simulating photon interactions inside voxelized phantoms. For validation, data generated from this new SimSET-GATE workflow were compared with those from GATE-only simulations as well as experimental measurements obtained using a commercial small animal pinhole SPECT system. Our results showed excellent agreement (e.g., in system point response functions and energy spectra) between SimSET-GATE and GATE-only simulations, and, more importantly, a significant computational speedup (up to approximately 10-fold) provided by the new workflow. Satisfactory agreement between MCS results and experimental data were also observed. In conclusion, the authors have successfully integrated SimSET photon history generator in GATE for fast and realistic pinhole SPECT simulations, which can facilitate research in, for example, the development and application of quantitative pinhole and multipinhole SPECT for small animal imaging. This integrated simulation tool can also be adapted for studying other preclinical and clinical SPECT techniques.

CPAS Preflight Drop Test Analysis Process

NASA Technical Reports Server (NTRS)

Englert, Megan E.; Bledsoe, Kristin J.; Romero, Leah M.

2015-01-01

Throughout the Capsule Parachute Assembly System (CPAS) drop test program, the CPAS Analysis Team has developed a simulation and analysis process to support drop test planning and execution. This process includes multiple phases focused on developing test simulations and communicating results to all groups involved in the drop test. CPAS Engineering Development Unit (EDU) series drop test planning begins with the development of a basic operational concept for each test. Trajectory simulation tools include the Flight Analysis and Simulation Tool (FAST) for single bodies, and the Automatic Dynamic Analysis of Mechanical Systems (ADAMS) simulation for the mated vehicle. Results are communicated to the team at the Test Configuration Review (TCR) and Test Readiness Review (TRR), as well as at Analysis Integrated Product Team (IPT) meetings in earlier and intermediate phases of the pre-test planning. The ability to plan and communicate efficiently with rapidly changing objectives and tight schedule constraints is a necessity for safe and successful drop tests.

Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

PubMed Central

Wabik, Jacek; Kmiecik, Sebastian; Gront, Dominik; Kouza, Maksim; Koliński, Andrzej

2013-01-01

We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems. PMID:23665897

Historian: accurate reconstruction of ancestral sequences and evolutionary rates.

PubMed

Holmes, Ian H

2017-04-15

Reconstruction of ancestral sequence histories, and estimation of parameters like indel rates, are improved by using explicit evolutionary models and summing over uncertain alignments. The previous best tool for this purpose (according to simulation benchmarks) was ProtPal, but this tool was too slow for practical use. Historian combines an efficient reimplementation of the ProtPal algorithm with performance-improving heuristics from other alignment tools. Simulation results on fidelity of rate estimation via ancestral reconstruction, along with evaluations on the structurally informed alignment dataset BAliBase 3.0, recommend Historian over other alignment tools for evolutionary applications. Historian is available at https://github.com/evoldoers/historian under the Creative Commons Attribution 3.0 US license. ihholmes+historian@gmail.com. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Systems analysis of a closed loop ECLSS using the ASPEN simulation tool. Thermodynamic efficiency analysis of ECLSS components. M.S. Thesis

NASA Technical Reports Server (NTRS)

Chatterjee, Sharmista

1993-01-01

Our first goal in this project was to perform a systems analysis of a closed loop Environmental Control Life Support System (ECLSS). This pertains to the development of a model of an existing real system from which to assess the state or performance of the existing system. Systems analysis is applied to conceptual models obtained from a system design effort. For our modelling purposes we used a simulator tool called ASPEN (Advanced System for Process Engineering). Our second goal was to evaluate the thermodynamic efficiency of the different components comprising an ECLSS. Use is made of the second law of thermodynamics to determine the amount of irreversibility of energy loss of each component. This will aid design scientists in selecting the components generating the least entropy, as our penultimate goal is to keep the entropy generation of the whole system at a minimum.

A Comparison of Robotic Simulation Performance on Basic Virtual Reality Skills: Simulator Subjective Versus Objective Assessment Tools.

PubMed

Dubin, Ariel K; Smith, Roger; Julian, Danielle; Tanaka, Alyssa; Mattingly, Patricia

To answer the question of whether there is a difference between robotic virtual reality simulator performance assessment and validated human reviewers. Current surgical education relies heavily on simulation. Several assessment tools are available to the trainee, including the actual robotic simulator assessment metrics and the Global Evaluative Assessment of Robotic Skills (GEARS) metrics, both of which have been independently validated. GEARS is a rating scale through which human evaluators can score trainees' performances on 6 domains: depth perception, bimanual dexterity, efficiency, force sensitivity, autonomy, and robotic control. Each domain is scored on a 5-point Likert scale with anchors. We used 2 common robotic simulators, the dV-Trainer (dVT; Mimic Technologies Inc., Seattle, WA) and the da Vinci Skills Simulator (dVSS; Intuitive Surgical, Sunnyvale, CA), to compare the performance metrics of robotic surgical simulators with the GEARS for a basic robotic task on each simulator. A prospective single-blinded randomized study. A surgical education and training center. Surgeons and surgeons in training. Demographic information was collected including sex, age, level of training, specialty, and previous surgical and simulator experience. Subjects performed 2 trials of ring and rail 1 (RR1) on each of the 2 simulators (dVSS and dVT) after undergoing randomization and warm-up exercises. The second RR1 trial simulator performance was recorded, and the deidentified videos were sent to human reviewers using GEARS. Eight different simulator assessment metrics were identified and paired with a similar performance metric in the GEARS tool. The GEARS evaluation scores and simulator assessment scores were paired and a Spearman rho calculated for their level of correlation. Seventy-four subjects were enrolled in this randomized study with 9 subjects excluded for missing or incomplete data. There was a strong correlation between the GEARS score and the simulator metric score for time to complete versus efficiency, time to complete versus total score, economy of motion versus depth perception, and overall score versus total score with rho coefficients greater than or equal to 0.70; these were significant (p < .0001). Those with weak correlation (rho ≥0.30) were bimanual dexterity versus economy of motion, efficiency versus master workspace range, bimanual dexterity versus master workspace range, and robotic control versus instrument collisions. On basic VR tasks, several simulator metrics are well matched with GEARS scores assigned by human reviewers, but others are not. Identifying these matches/mismatches can improve the training and assessment process when using robotic surgical simulators. Copyright © 2017 American Association of Gynecologic Laparoscopists. Published by Elsevier Inc. All rights reserved.

3-D simulation of nanopore structure for DNA sequencing.

PubMed

Park, Jun-Mo; Pak, Y Eugene; Chun, Honggu; Lee, Jong-Ho

2012-07-01

In this paper, we propose a method for simulating nanopore structure by using conventional 3-D simulation tool to mimic the I-V behavior of the nanopore structure. In the simulation, we use lightly doped silicon for ionic solution where some parameters like electron affinity and dielectric constant are fitted to consider the ionic solution. By using this method, we can simulate the I-V behavior of nanopore structure depending on the location and the size of the sphere shaped silicon oxide which is considered to be an indicator of a DNA base. In addition, we simulate an Ionic Field Effect Transistor (IFET) which has basically the nanopore structure, and show that the simulated curves follow sufficiently the I-V behavior of the measurement data. Therefore, we think it is reasonable to apply parameter modeling mentioned above to simulate nanopore structure. The key idea is to modify electron affinity of silicon which is used to mimic the KCl solution to avoid band bending and depletion inside the nanopore. We could efficiently utilize conventional 3-D simulation tool to simulate the I-V behavior of nanopore structures.

Advanced data management for optimising the operation of a full-scale WWTP.

PubMed

Beltrán, Sergio; Maiza, Mikel; de la Sota, Alejandro; Villanueva, José María; Ayesa, Eduardo

2012-01-01

The lack of appropriate data management tools is presently a limiting factor for a broader implementation and a more efficient use of sensors and analysers, monitoring systems and process controllers in wastewater treatment plants (WWTPs). This paper presents a technical solution for advanced data management of a full-scale WWTP. The solution is based on an efficient and intelligent use of the plant data by a standard centralisation of the heterogeneous data acquired from different sources, effective data processing to extract adequate information, and a straightforward connection to other emerging tools focused on the operational optimisation of the plant such as advanced monitoring and control or dynamic simulators. A pilot study of the advanced data manager tool was designed and implemented in the Galindo-Bilbao WWTP. The results of the pilot study showed its potential for agile and intelligent plant data management by generating new enriched information combining data from different plant sources, facilitating the connection of operational support systems, and developing automatic plots and trends of simulated results and actual data for plant performance and diagnosis.

Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.

PubMed

Lemkul, Justin A; Roux, Benoît; van der Spoel, David; MacKerell, Alexander D

2015-07-15

Explicit treatment of electronic polarization in empirical force fields used for molecular dynamics simulations represents an important advancement in simulation methodology. A straightforward means of treating electronic polarization in these simulations is the inclusion of Drude oscillators, which are auxiliary, charge-carrying particles bonded to the cores of atoms in the system. The additional degrees of freedom make these simulations more computationally expensive relative to simulations using traditional fixed-charge (additive) force fields. Thus, efficient tools are needed for conducting these simulations. Here, we present the implementation of highly scalable algorithms in the GROMACS simulation package that allow for the simulation of polarizable systems using extended Lagrangian dynamics with a dual Nosé-Hoover thermostat as well as simulations using a full self-consistent field treatment of polarization. The performance of systems of varying size is evaluated, showing that the present code parallelizes efficiently and is the fastest implementation of the extended Lagrangian methods currently available for simulations using the Drude polarizable force field. © 2015 Wiley Periodicals, Inc.

Assessment of the SWAT model to simulate a watershed with limited available data in the Pampas region, Argentina.

PubMed

Romagnoli, Martín; Portapila, Margarita; Rigalli, Alfredo; Maydana, Gisela; Burgués, Martín; García, Carlos M

2017-10-15

Argentina has been among the world leaders in the production and export of agricultural products since the 1990s. The Carcarañá River Lower Basin (CRLB), a cropland of the Pampas region supplied by extensive rainfall, is located in an area with few streamgauging and other hydrologic/water-quality stations. Therefore, limited hydrologic data are available resulting in limited water-resources assessment. This work explores the application of Soil and Water Assessment Tool (SWAT) model to the CRLB in the Santa Fe province of the Pampas region. The analysis of field and remote-sensing data characterizing hydrology, water quality, soil types, land use/land cover, management practices, and crop yield, guarantee a comprehensive SWAT modeling approach. A combined manual and automated calibration and validation process incorporating sensitivity and uncertainty analysis is performed using information concerning interior watershed processes. Eleven N/P fertilizer rates are selected to simulate the impact of N fertilizer on crop yield, plant uptake, as well as runoff and leaching losses. Different indices (partial factor productivity, agronomic efficiency, apparent crop recovery efficiency of applied nutrient, internal utilization efficiency, and physiological efficiency) are considered to assess nitrogen-use efficiency. The overall quality of the fit is satisfactory considering the input data limitations. This work provides, for the first time in Argentina, a reliable tool to simulate yield response to soil quality and water availability capable to meet defined environmental targets to support decision making on planning public policies and private activities on the Pampas region. Copyright © 2017 Elsevier B.V. All rights reserved.

TU-AB-BRC-07: Efficiency of An IAEA Phase-Space Source for a Low Energy X-Ray Tube Using Egs++

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

Watson, PGF; Renaud, MA; Seuntjens, J

Purpose: To extend the capability of the EGSnrc C++ class library (egs++) to write and read IAEA phase-space files as a particle source, and to assess the relative efficiency gain in dose calculation using an IAEA phase-space source for modelling a miniature low energy x-ray source. Methods: We created a new ausgab object to score particles exiting a user-defined geometry and write them to an IAEA phase-space file. A new particle source was created to read from IAEA phase-space data. With these tools, a phase-space file was generated for particles exiting a miniature 50 kVp x-ray tube (The INTRABEAM System,more » Carl Zeiss). The phase-space source was validated by comparing calculated PDDs with a full electron source simulation of the INTRABEAM. The dose calculation efficiency gain of the phase-space source was determined relative to the full simulation. The efficiency gain as a function of i) depth in water, and ii) job parallelization was investigated. Results: The phase-space and electron source PDDs were found to agree to 0.5% RMS, comparable to statistical uncertainties. The use of a phase-space source for the INTRABEAM led to a relative efficiency gain of greater than 20 over the full electron source simulation, with an increase of up to a factor of 196. The efficiency gain was found to decrease with depth in water, due to the influence of scattering. Job parallelization (across 2 to 256 cores) was not found to have any detrimental effect on efficiency gain. Conclusion: A set of tools has been developed for writing and reading IAEA phase-space files, which can be used with any egs++ user code. For simulation of a low energy x-ray tube, the use of a phase-space source was found to increase the relative dose calculation efficiency by factor of up to 196. The authors acknowledge partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant No. 432290).« less

NDE and SHM Simulation for CFRP Composites

NASA Technical Reports Server (NTRS)

Leckey, Cara A. C.; Parker, F. Raymond

2014-01-01

Ultrasound-based nondestructive evaluation (NDE) is a common technique for damage detection in composite materials. There is a need for advanced NDE that goes beyond damage detection to damage quantification and characterization in order to enable data driven prognostics. The damage types that exist in carbon fiber-reinforced polymer (CFRP) composites include microcracking and delaminations, and can be initiated and grown via impact forces (due to ground vehicles, tool drops, bird strikes, etc), fatigue, and extreme environmental changes. X-ray microfocus computed tomography data, among other methods, have shown that these damage types often result in voids/discontinuities of a complex volumetric shape. The specific damage geometry and location within ply layers affect damage growth. Realistic threedimensional NDE and structural health monitoring (SHM) simulations can aid in the development and optimization of damage quantification and characterization techniques. This paper is an overview of ongoing work towards realistic NDE and SHM simulation tools for composites, and also discusses NASA's need for such simulation tools in aeronautics and spaceflight. The paper describes the development and implementation of a custom ultrasound simulation tool that is used to model ultrasonic wave interaction with realistic 3-dimensional damage in CFRP composites. The custom code uses elastodynamic finite integration technique and is parallelized to run efficiently on computing cluster or multicore machines.

EggLib: processing, analysis and simulation tools for population genetics and genomics

PubMed Central

2012-01-01

Background With the considerable growth of available nucleotide sequence data over the last decade, integrated and flexible analytical tools have become a necessity. In particular, in the field of population genetics, there is a strong need for automated and reliable procedures to conduct repeatable and rapid polymorphism analyses, coalescent simulations, data manipulation and estimation of demographic parameters under a variety of scenarios. Results In this context, we present EggLib (Evolutionary Genetics and Genomics Library), a flexible and powerful C++/Python software package providing efficient and easy to use computational tools for sequence data management and extensive population genetic analyses on nucleotide sequence data. EggLib is a multifaceted project involving several integrated modules: an underlying computationally efficient C++ library (which can be used independently in pure C++ applications); two C++ programs; a Python package providing, among other features, a high level Python interface to the C++ library; and the egglib script which provides direct access to pre-programmed Python applications. Conclusions EggLib has been designed aiming to be both efficient and easy to use. A wide array of methods are implemented, including file format conversion, sequence alignment edition, coalescent simulations, neutrality tests and estimation of demographic parameters by Approximate Bayesian Computation (ABC). Classes implementing different demographic scenarios for ABC analyses can easily be developed by the user and included to the package. EggLib source code is distributed freely under the GNU General Public License (GPL) from its website http://egglib.sourceforge.net/ where a full documentation and a manual can also be found and downloaded. PMID:22494792

EggLib: processing, analysis and simulation tools for population genetics and genomics.

PubMed

De Mita, Stéphane; Siol, Mathieu

2012-04-11

With the considerable growth of available nucleotide sequence data over the last decade, integrated and flexible analytical tools have become a necessity. In particular, in the field of population genetics, there is a strong need for automated and reliable procedures to conduct repeatable and rapid polymorphism analyses, coalescent simulations, data manipulation and estimation of demographic parameters under a variety of scenarios. In this context, we present EggLib (Evolutionary Genetics and Genomics Library), a flexible and powerful C++/Python software package providing efficient and easy to use computational tools for sequence data management and extensive population genetic analyses on nucleotide sequence data. EggLib is a multifaceted project involving several integrated modules: an underlying computationally efficient C++ library (which can be used independently in pure C++ applications); two C++ programs; a Python package providing, among other features, a high level Python interface to the C++ library; and the egglib script which provides direct access to pre-programmed Python applications. EggLib has been designed aiming to be both efficient and easy to use. A wide array of methods are implemented, including file format conversion, sequence alignment edition, coalescent simulations, neutrality tests and estimation of demographic parameters by Approximate Bayesian Computation (ABC). Classes implementing different demographic scenarios for ABC analyses can easily be developed by the user and included to the package. EggLib source code is distributed freely under the GNU General Public License (GPL) from its website http://egglib.sourceforge.net/ where a full documentation and a manual can also be found and downloaded.

Efficient and Robust Optimization for Building Energy Simulation

PubMed Central

Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

2016-01-01

Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell’s Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell’s method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell’s Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell’s Hybrid method presently used in HVACSIM+. PMID:27325907

Efficient and Robust Optimization for Building Energy Simulation.

PubMed

Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

2016-06-15

Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell's Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell's method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell's Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell's Hybrid method presently used in HVACSIM+.

Development and operation of a real-time simulation at the NASA Ames Vertical Motion Simulator

NASA Technical Reports Server (NTRS)

Sweeney, Christopher; Sheppard, Shirin; Chetelat, Monique

1993-01-01

The Vertical Motion Simulator (VMS) facility at the NASA Ames Research Center combines the largest vertical motion capability in the world with a flexible real-time operating system allowing research to be conducted quickly and effectively. Due to the diverse nature of the aircraft simulated and the large number of simulations conducted annually, the challenge for the simulation engineer is to develop an accurate real-time simulation in a timely, efficient manner. The SimLab facility and the software tools necessary for an operating simulation will be discussed. Subsequent sections will describe the development process through operation of the simulation; this includes acceptance of the model, validation, integration and production phases.

Analyzing and Visualizing Cosmological Simulations with ParaView

NASA Astrophysics Data System (ADS)

Woodring, Jonathan; Heitmann, Katrin; Ahrens, James; Fasel, Patricia; Hsu, Chung-Hsing; Habib, Salman; Pope, Adrian

2011-07-01

The advent of large cosmological sky surveys—ushering in the era of precision cosmology—has been accompanied by ever larger cosmological simulations. The analysis of these simulations, which currently encompass tens of billions of particles and up to a trillion particles in the near future, is often as daunting as carrying out the simulations in the first place. Therefore, the development of very efficient analysis tools combining qualitative and quantitative capabilities is a matter of some urgency. In this paper, we introduce new analysis features implemented within ParaView, a fully parallel, open-source visualization toolkit, to analyze large N-body simulations. A major aspect of ParaView is that it can live and operate on the same machines and utilize the same parallel power as the simulation codes themselves. In addition, data movement is in a serious bottleneck now and will become even more of an issue in the future; an interactive visualization and analysis tool that can handle data in situ is fast becoming essential. The new features in ParaView include particle readers and a very efficient halo finder that identifies friends-of-friends halos and determines common halo properties, including spherical overdensity properties. In combination with many other functionalities already existing within ParaView, such as histogram routines or interfaces to programming languages like Python, this enhanced version enables fast, interactive, and convenient analyses of large cosmological simulations. In addition, development paths are available for future extensions.

Advanced Dynamically Adaptive Algorithms for Stochastic Simulations on Extreme Scales

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

Xiu, Dongbin

2017-03-03

The focus of the project is the development of mathematical methods and high-performance computational tools for stochastic simulations, with a particular emphasis on computations on extreme scales. The core of the project revolves around the design of highly efficient and scalable numerical algorithms that can adaptively and accurately, in high dimensional spaces, resolve stochastic problems with limited smoothness, even containing discontinuities.

SU-E-T-58: A Novel Monte Carlo Photon Transport Simulation Scheme and Its Application in Cone Beam CT Projection Simulation

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

Xu, Y; Southern Medical University, Guangzhou; Tian, Z

Purpose: Monte Carlo (MC) simulation is an important tool to solve radiotherapy and medical imaging problems. Low computational efficiency hinders its wide applications. Conventionally, MC is performed in a particle-by -particle fashion. The lack of control on particle trajectory is a main cause of low efficiency in some applications. Take cone beam CT (CBCT) projection simulation as an example, significant amount of computations were wasted on transporting photons that do not reach the detector. To solve this problem, we propose an innovative MC simulation scheme with a path-by-path sampling method. Methods: Consider a photon path starting at the x-ray source.more » After going through a set of interactions, it ends at the detector. In the proposed scheme, we sampled an entire photon path each time. Metropolis-Hasting algorithm was employed to accept/reject a sampled path based on a calculated acceptance probability, in order to maintain correct relative probabilities among different paths, which are governed by photon transport physics. We developed a package gMMC on GPU with this new scheme implemented. The performance of gMMC was tested in a sample problem of CBCT projection simulation for a homogeneous object. The results were compared to those obtained using gMCDRR, a GPU-based MC tool with the conventional particle-by-particle simulation scheme. Results: Calculated scattered photon signals in gMMC agreed with those from gMCDRR with a relative difference of 3%. It took 3.1 hr. for gMCDRR to simulate 7.8e11 photons and 246.5 sec for gMMC to simulate 1.4e10 paths. Under this setting, both results attained the same ∼2% statistical uncertainty. Hence, a speed-up factor of ∼45.3 was achieved by this new path-by-path simulation scheme, where all the computations were spent on those photons contributing to the detector signal. Conclusion: We innovatively proposed a novel path-by-path simulation scheme that enabled a significant efficiency enhancement for MC particle transport simulations.« less

The LSST operations simulator

NASA Astrophysics Data System (ADS)

Delgado, Francisco; Saha, Abhijit; Chandrasekharan, Srinivasan; Cook, Kem; Petry, Catherine; Ridgway, Stephen

2014-08-01

The Operations Simulator for the Large Synoptic Survey Telescope (LSST; http://www.lsst.org) allows the planning of LSST observations that obey explicit science driven observing specifications, patterns, schema, and priorities, while optimizing against the constraints placed by design-specific opto-mechanical system performance of the telescope facility, site specific conditions as well as additional scheduled and unscheduled downtime. It has a detailed model to simulate the external conditions with real weather history data from the site, a fully parameterized kinematic model for the internal conditions of the telescope, camera and dome, and serves as a prototype for an automatic scheduler for the real time survey operations with LSST. The Simulator is a critical tool that has been key since very early in the project, to help validate the design parameters of the observatory against the science requirements and the goals from specific science programs. A simulation run records the characteristics of all observations (e.g., epoch, sky position, seeing, sky brightness) in a MySQL database, which can be queried for any desired purpose. Derivative information digests of the observing history are made with an analysis package called Simulation Survey Tools for Analysis and Reporting (SSTAR). Merit functions and metrics have been designed to examine how suitable a specific simulation run is for several different science applications. Software to efficiently compare the efficacy of different survey strategies for a wide variety of science applications using such a growing set of metrics is under development. A recent restructuring of the code allows us to a) use "look-ahead" strategies that avoid cadence sequences that cannot be completed due to observing constraints; and b) examine alternate optimization strategies, so that the most efficient scheduling algorithm(s) can be identified and used: even few-percent efficiency gains will create substantive scientific opportunity. The enhanced simulator is being used to assess the feasibility of desired observing cadences, study the impact of changing science program priorities and assist with performance margin investigations of the LSST system.

Biochemical Network Stochastic Simulator (BioNetS): software for stochastic modeling of biochemical networks.

PubMed

Adalsteinsson, David; McMillen, David; Elston, Timothy C

2004-03-08

Intrinsic fluctuations due to the stochastic nature of biochemical reactions can have large effects on the response of biochemical networks. This is particularly true for pathways that involve transcriptional regulation, where generally there are two copies of each gene and the number of messenger RNA (mRNA) molecules can be small. Therefore, there is a need for computational tools for developing and investigating stochastic models of biochemical networks. We have developed the software package Biochemical Network Stochastic Simulator (BioNetS) for efficiently and accurately simulating stochastic models of biochemical networks. BioNetS has a graphical user interface that allows models to be entered in a straightforward manner, and allows the user to specify the type of random variable (discrete or continuous) for each chemical species in the network. The discrete variables are simulated using an efficient implementation of the Gillespie algorithm. For the continuous random variables, BioNetS constructs and numerically solves the appropriate chemical Langevin equations. The software package has been developed to scale efficiently with network size, thereby allowing large systems to be studied. BioNetS runs as a BioSpice agent and can be downloaded from http://www.biospice.org. BioNetS also can be run as a stand alone package. All the required files are accessible from http://x.amath.unc.edu/BioNetS. We have developed BioNetS to be a reliable tool for studying the stochastic dynamics of large biochemical networks. Important features of BioNetS are its ability to handle hybrid models that consist of both continuous and discrete random variables and its ability to model cell growth and division. We have verified the accuracy and efficiency of the numerical methods by considering several test systems.

Trends in Programming Languages for Neuroscience Simulations

PubMed Central

Davison, Andrew P.; Hines, Michael L.; Muller, Eilif

2009-01-01

Neuroscience simulators allow scientists to express models in terms of biological concepts, without having to concern themselves with low-level computational details of their implementation. The expressiveness, power and ease-of-use of the simulator interface is critical in efficiently and accurately translating ideas into a working simulation. We review long-term trends in the development of programmable simulator interfaces, and examine the benefits of moving from proprietary, domain-specific languages to modern dynamic general-purpose languages, in particular Python, which provide neuroscientists with an interactive and expressive simulation development environment and easy access to state-of-the-art general-purpose tools for scientific computing. PMID:20198154

Trends in programming languages for neuroscience simulations.

PubMed

Davison, Andrew P; Hines, Michael L; Muller, Eilif

2009-01-01

Neuroscience simulators allow scientists to express models in terms of biological concepts, without having to concern themselves with low-level computational details of their implementation. The expressiveness, power and ease-of-use of the simulator interface is critical in efficiently and accurately translating ideas into a working simulation. We review long-term trends in the development of programmable simulator interfaces, and examine the benefits of moving from proprietary, domain-specific languages to modern dynamic general-purpose languages, in particular Python, which provide neuroscientists with an interactive and expressive simulation development environment and easy access to state-of-the-art general-purpose tools for scientific computing.

Predicting SPE Fluxes: Coupled Simulations and Analysis Tools

NASA Astrophysics Data System (ADS)

Gorby, M.; Schwadron, N.; Linker, J.; Caplan, R. M.; Wijaya, J.; Downs, C.; Lionello, R.

2017-12-01

Presented here is a nuts-and-bolts look at the coupled framework of Predictive Science Inc's Magnetohydrodynamics Around a Sphere (MAS) code and the Energetic Particle Radiation Environment Module (EPREM). MAS simulated coronal mass ejection output from a variety of events can be selected as the MHD input to EPREM and a variety of parameters can be set to run against: bakground seed particle spectra, mean free path, perpendicular diffusion efficiency, etc.. A standard set of visualizations are produced as well as a library of analysis tools for deeper inquiries. All steps will be covered end-to-end as well as the framework's user interface and availability.

Online machining error estimation method of numerical control gear grinding machine tool based on data analysis of internal sensors

NASA Astrophysics Data System (ADS)

Zhao, Fei; Zhang, Chi; Yang, Guilin; Chen, Chinyin

2016-12-01

This paper presents an online estimation method of cutting error by analyzing of internal sensor readings. The internal sensors of numerical control (NC) machine tool are selected to avoid installation problem. The estimation mathematic model of cutting error was proposed to compute the relative position of cutting point and tool center point (TCP) from internal sensor readings based on cutting theory of gear. In order to verify the effectiveness of the proposed model, it was simulated and experimented in gear generating grinding process. The cutting error of gear was estimated and the factors which induce cutting error were analyzed. The simulation and experiments verify that the proposed approach is an efficient way to estimate the cutting error of work-piece during machining process.

USING TIME VARIANT VOLTAGE TO CALCULATE ENERGY CONSUMPTION AND POWER USE OF BUILDING SYSTEMS

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

Makhmalbaf, Atefe; Augenbroe , Godfried

2015-12-09

Buildings are the main consumers of electricity across the world. However, in the research and studies related to building performance assessment, the focus has been on evaluating the energy efficiency of buildings whereas the instantaneous power efficiency has been overlooked as an important aspect of total energy consumption. As a result, we never developed adequate models that capture both thermal and electrical characteristics (e.g., voltage) of building systems to assess the impact of variations in the power system and emerging technologies of the smart grid on buildings energy and power performance and vice versa. This paper argues that the powermore » performance of buildings as a function of electrical parameters should be evaluated in addition to systems’ mechanical and thermal behavior. The main advantage of capturing electrical behavior of building load is to better understand instantaneous power consumption and more importantly to control it. Voltage is one of the electrical parameters that can be used to describe load. Hence, voltage dependent power models are constructed in this work and they are coupled with existing thermal energy models. Lack of models that describe electrical behavior of systems also adds to the uncertainty of energy consumption calculations carried out in building energy simulation tools such as EnergyPlus, a common building energy modeling and simulation tool. To integrate voltage-dependent power models with thermal models, the thermal cycle (operation mode) of each system was fed into the voltage-based electrical model. Energy consumption of systems used in this study were simulated using EnergyPlus. Simulated results were then compared with estimated and measured power data. The mean square error (MSE) between simulated, estimated, and measured values were calculated. Results indicate that estimated power has lower MSE when compared with measured data than simulated results. Results discussed in this paper will illustrate the significance of enhancing building energy models with electrical characteristics. This would support different studies such as those related to modernization of the power system that require micro scale building-grid interaction, evaluating building energy efficiency with power efficiency considerations, and also design and control decisions that rely on accuracy of building energy simulation results.« less

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

PubMed

Hess, Berk; Kutzner, Carsten; van der Spoel, David; Lindahl, Erik

2008-03-01

Molecular simulation is an extremely useful, but computationally very expensive tool for studies of chemical and biomolecular systems. Here, we present a new implementation of our molecular simulation toolkit GROMACS which now both achieves extremely high performance on single processors from algorithmic optimizations and hand-coded routines and simultaneously scales very well on parallel machines. The code encompasses a minimal-communication domain decomposition algorithm, full dynamic load balancing, a state-of-the-art parallel constraint solver, and efficient virtual site algorithms that allow removal of hydrogen atom degrees of freedom to enable integration time steps up to 5 fs for atomistic simulations also in parallel. To improve the scaling properties of the common particle mesh Ewald electrostatics algorithms, we have in addition used a Multiple-Program, Multiple-Data approach, with separate node domains responsible for direct and reciprocal space interactions. Not only does this combination of algorithms enable extremely long simulations of large systems but also it provides that simulation performance on quite modest numbers of standard cluster nodes.

Efficient Constant-Time Complexity Algorithm for Stochastic Simulation of Large Reaction Networks.

PubMed

Thanh, Vo Hong; Zunino, Roberto; Priami, Corrado

2017-01-01

Exact stochastic simulation is an indispensable tool for a quantitative study of biochemical reaction networks. The simulation realizes the time evolution of the model by randomly choosing a reaction to fire and update the system state according to a probability that is proportional to the reaction propensity. Two computationally expensive tasks in simulating large biochemical networks are the selection of next reaction firings and the update of reaction propensities due to state changes. We present in this work a new exact algorithm to optimize both of these simulation bottlenecks. Our algorithm employs the composition-rejection on the propensity bounds of reactions to select the next reaction firing. The selection of next reaction firings is independent of the number reactions while the update of propensities is skipped and performed only when necessary. It therefore provides a favorable scaling for the computational complexity in simulating large reaction networks. We benchmark our new algorithm with the state of the art algorithms available in literature to demonstrate its applicability and efficiency.

Modeling the Environmental Impact of Air Traffic Operations

NASA Technical Reports Server (NTRS)

Chen, Neil

2011-01-01

There is increased interest to understand and mitigate the impacts of air traffic on the climate, since greenhouse gases, nitrogen oxides, and contrails generated by air traffic can have adverse impacts on the climate. The models described in this presentation are useful for quantifying these impacts and for studying alternative environmentally aware operational concepts. These models have been developed by leveraging and building upon existing simulation and optimization techniques developed for the design of efficient traffic flow management strategies. Specific enhancements to the existing simulation and optimization techniques include new models that simulate aircraft fuel flow, emissions and contrails. To ensure that these new models are beneficial to the larger climate research community, the outputs of these new models are compatible with existing global climate modeling tools like the FAA's Aviation Environmental Design Tool.

Spot and Runway Departure Advisor

NASA Technical Reports Server (NTRS)

Jung, Yoon Chul

2013-01-01

The Spot and Runway Departure Advisor (SARDA) is a research prototype of a decision support tool for ATC tower controllers to assist in manging and controlling traffic on the surface of an airport. SARDA employs a scheduler to generate an optimal runway schedule and gate push-back - spot release sequence and schedule that improves efficiency of surface operations. The advisories for ATC tower controllers are displayed on an Electronic Flight Strip (EFS) system. The human-in-the-loop simulation of the SARDA tool was conducted for east operations of Dallas-Ft. Worth International Airport (DFW) to evaluate performance of the SARDA tool and human factors, such as situational awareness and workload. The results indicates noticeable taxi delay reduction and fuel savings by using the SARDA tool. Reduction in controller workload were also observed throughout the scenario runs. The future plan includes modeling and simulation of the ramp operations of the Charlotte International Airport, and develop a decision support tool for the ramp controllers.

Adaptation of non-technical skills behavioural markers for delivery room simulation.

PubMed

Bracco, Fabrizio; Masini, Michele; De Tonetti, Gabriele; Brogioni, Francesca; Amidani, Arianna; Monichino, Sara; Maltoni, Alessandra; Dato, Andrea; Grattarola, Claudia; Cordone, Massimo; Torre, Giancarlo; Launo, Claudio; Chiorri, Carlo; Celleno, Danilo

2017-03-17

Simulation in healthcare has proved to be a useful method in improving skills and increasing the safety of clinical operations. The debriefing session, after the simulated scenario, is the core of the simulation, since it allows participants to integrate the experience with the theoretical frameworks and the procedural guidelines. There is consistent evidence for the relevance of non-technical skills (NTS) for the safe and efficient accomplishment of operations. However, the observation, assessment and feedback on these skills is particularly complex, because the process needs expert observers and the feedback is often provided in judgmental and ineffective ways. The aim of this study was therefore to develop and test a set of observation and rating forms for the NTS behavioural markers of multi-professional teams involved in delivery room emergency simulations (MINTS-DR, Multi-professional Inventory for Non-Technical Skills in the Delivery Room). The MINTS-DR was developed by adapting the existing tools and, when needed, by designing new tools according to the literature. We followed a bottom-up process accompanied by interviews and co-design between practitioners and psychology experts. The forms were specific for anaesthetists, gynaecologists, nurses/midwives, assistants, plus a global team assessment tool. We administered the tools in five editions of a simulation training course that involved 48 practitioners. Ratings on usability and usefulness were collected. The mean ratings of the usability and usefulness of the tools were not statistically different to or higher than 4 on a 5-point rating scale. In either case no significant differences were found across professional categories. The MINTS-DR is quick and easy to administer. It is judged to be a useful asset in maximising the learning experience that is provided by the simulation.

Taming Log Files from Game/Simulation-Based Assessments: Data Models and Data Analysis Tools. Research Report. ETS RR-16-10

ERIC Educational Resources Information Center

Hao, Jiangang; Smith, Lawrence; Mislevy, Robert; von Davier, Alina; Bauer, Malcolm

2016-01-01

Extracting information efficiently from game/simulation-based assessment (G/SBA) logs requires two things: a well-structured log file and a set of analysis methods. In this report, we propose a generic data model specified as an extensible markup language (XML) schema for the log files of G/SBAs. We also propose a set of analysis methods for…

Rough mill simulator version 3.0: an analysis tool for refining rough mill operations

Treesearch

Edward Thomas; Joel Weiss

2006-01-01

ROMI-3 is a rough mill computer simulation package designed to be used by both rip-first and chop-first rough mill operators and researchers. ROMI-3 allows users to model and examine the complex relationships among cutting bill, lumber grade mix, processing options, and their impact on rough mill yield and efficiency. Integrated into the ROMI-3 software is a new least-...

Commercial Building Energy Saver, API

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

Hong, Tianzhen; Piette, Mary; Lee, Sang Hoon

2015-08-27

The CBES API provides Application Programming Interface to a suite of functions to improve energy efficiency of buildings, including building energy benchmarking, preliminary retrofit analysis using a pre-simulation database DEEP, and detailed retrofit analysis using energy modeling with the EnergyPlus simulation engine. The CBES API is used to power the LBNL CBES Web App. It can be adopted by third party developers and vendors into their software tools and platforms.

Special Report: Part One. New Tools for Professionals.

ERIC Educational Resources Information Center

Liskin, Miriam; And Others

1984-01-01

This collection of articles includes an examination of word-processing software; project management software; new expert systems that turn microcomputers into logical, well-informed consultants; simulated negotiation software; telephone management systems; and the physical design of an efficient microcomputer work space. (MBR)

Growth and yield models for central hardwoods

Treesearch

Martin E. Dale; Donald E. Hilt

1989-01-01

Over the last 20 years computers have become an efficient tool to estimate growth and yield. Computerized yield estimates vary from simple approximation or interpolation of traditional normal yield tables to highly sophisticated programs that simulate the growth and yield of each individual tree.

Scheduling and Separating Departures Crossing Arrival Flows in Shared Airspace

NASA Technical Reports Server (NTRS)

Chevalley, Eric; Parke, Bonny K.; Lee, Paul; Omar, Faisal; Lee, Hwasoo; Beinert, Nancy; Kraut, Joshua M.; Palmer, Everett

2013-01-01

Flight efficiency and reduction of flight delays are among the primary goals of NextGen. In this paper, we propose a concept of shared airspace where departures fly across arrival flows, provided gaps are available in these flows. We have explored solutions to separate departures temporally from arrival traffic and pre-arranged procedures to support controllers' decisions. We conducted a Human-in-the-Loop simulation and assessed the efficiency and safety of 96 departures from the San Jose airport (SJC) climbing across the arrival airspace of the Oakland and San Francisco arrival flows. In our simulation, the SJC tower had a tool to schedule departures to fly across predicted gaps in the arrival flow. When departures were mistimed and separation could not be ensured, a safe but less efficient route was provided to the departures to fly under the arrival flows. A coordination using a point-out procedure allowed the arrival controller to control the SJC departures right after takeoff. We manipulated the accuracy of departure time (accurate vs. inaccurate) as well as which sector took control of the departures after takeoff (departure vs. arrival sector) in a 2x2 full factorial plan. Results show that coordination time decreased and climb efficiency increased when the arrival sector controlled the aircraft right after takeoff. Also, climb efficiency increased when the departure times were more accurate. Coordination was shown to be a critical component of tactical operations in shared airspace. Although workload, coordination, and safety were judged by controllers as acceptable in the simulation, it appears that in the field, controllers would need improved tools and coordination procedures to support this procedure.

sedFlow - an efficient tool for simulating bedload transport, bed roughness, and longitudinal profile evolution in mountain streams

NASA Astrophysics Data System (ADS)

Heimann, F. U. M.; Rickenmann, D.; Turowski, J. M.; Kirchner, J. W.

2014-07-01

Especially in mountainuous environments, the prediction of sediment dynamics is important for managing natural hazards, assessing in-stream habitats, and understanding geomorphic evolution. We present the new modelling tool sedFlow for simulating fractional bedload transport dynamics in mountain streams. The model can deal with the effects of adverse slopes and uses state of the art approaches for quantifying macro-roughness effects in steep channels. Local grain size distributions are dynamically adjusted according to the transport dynamics of each grain size fraction. The tool sedFlow features fast calculations and straightforward pre- and postprocessing of simulation data. The model is provided together with its complete source code free of charge under the terms of the GNU General Public License (www.wsl.ch/sedFlow). Examples of the application of sedFlow are given in a companion article by Heimann et al. (2014).

A Modeling Tool for Household Biogas Burner Flame Port Design

NASA Astrophysics Data System (ADS)

Decker, Thomas J.

Anaerobic digestion is a well-known and potentially beneficial process for rural communities in emerging markets, providing the opportunity to generate usable gaseous fuel from agricultural waste. With recent developments in low-cost digestion technology, communities across the world are gaining affordable access to the benefits of anaerobic digestion derived biogas. For example, biogas can displace conventional cooking fuels such as biomass (wood, charcoal, dung) and Liquefied Petroleum Gas (LPG), effectively reducing harmful emissions and fuel cost respectively. To support the ongoing scaling effort of biogas in rural communities, this study has developed and tested a design tool aimed at optimizing flame port geometry for household biogas-fired burners. The tool consists of a multi-component simulation that incorporates three-dimensional CAD designs with simulated chemical kinetics and computational fluid dynamics. An array of circular and rectangular port designs was developed for a widely available biogas stove (called the Lotus) as part of this study. These port designs were created through guidance from previous studies found in the literature. The three highest performing designs identified by the tool were manufactured and tested experimentally to validate tool output and to compare against the original port geometry. The experimental results aligned with the tool's prediction for the three chosen designs. Each design demonstrated improved thermal efficiency relative to the original, with one configuration of circular ports exhibiting superior performance. The results of the study indicated that designing for a targeted range of port hydraulic diameter, velocity and mixture density in the tool is a relevant way to improve the thermal efficiency of a biogas burner. Conversely, the emissions predictions made by the tool were found to be unreliable and incongruent with laboratory experiments.

Numerical Simulations of SCR DeNOx System for a 660MW coal-fired power station

NASA Astrophysics Data System (ADS)

Yongqiang, Deng; Zhongming, Mei; Yijun, Mao; Nianping, Liu; Guoming, Yin

2018-06-01

Aimed at the selective catalytic reduction (SCR) DeNOx system of a 660 MW coal-fired power station, which is limited by low denitrification efficiency, large ammonia consumption and over-high ammonia escape rate, numerical simulations were conducted by employing STAR-CCM+ (CFD tool). The simulations results revealed the problems existed in the SCR DeNOx system. Aimed at limitations of the target SCR DeNOx system, factors affecting the denitrification performance of SCR, including the structural parameters and ammonia injected by the ammonia nozzles, were optimized. Under the optimized operational conditions, the denitrification efficiency of the SCR system was enhanced, while the ammonia escape rate was reduced below 3ppm. This study serves as references for optimization and modification of SCR systems.

Development of an Efficient Approach to Perform Neutronics Simulations for Plutonium-238 Production

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

Chandler, David; Ellis, Ronald James

Conversion of 238Pu decay heat into usable electricity is imperative to power National Aeronautics and Space Administration (NASA) deep space exploration missions; however, the current stockpile of 238Pu is diminishing and the quality is less than ideal. In response, the US Department of Energy and NASA have undertaken a program to reestablish a domestic 238Pu production program and a technology demonstration sub-project has been initiated. Neutronics simulations for 238Pu production play a vital role in this project because the results guide reactor safety-basis, target design and optimization, and post-irradiation examination activities. A new, efficient neutronics simulation tool written in Pythonmore » was developed to evaluate, with the highest fidelity possible with approved tools, the time-dependent nuclide evolution and heat deposition rates in 238Pu production targets irradiated in the High Flux Isotope Reactor (HFIR). The Python Activation and Heat Deposition Script (PAHDS) was developed specifically for experiment analysis in HFIR and couples the MCNP5 and SCALE 6.1.3 software quality assured tools to take advantage of an existing high-fidelity MCNP HFIR model, the most up-to-date ORIGEN code, and the most up-to-date nuclear data. Three cycle simulations were performed with PAHDS implementing ENDF/B-VII.0, ENDF/B-VII.1, and the Hybrid Library GPD-Rev0 cross-section libraries. The 238Pu production results were benchmarked against VESTA-obtained results and the impact of various cross-section libraries on the calculated metrics were assessed.« less

Integration of Linear Dynamic Emission and Climate Models with Air Traffic Simulations

NASA Technical Reports Server (NTRS)

Sridhar, Banavar; Ng, Hok K.; Chen, Neil Y.

2012-01-01

Future air traffic management systems are required to balance the conflicting objectives of maximizing safety and efficiency of traffic flows while minimizing the climate impact of aviation emissions and contrails. Integrating emission and climate models together with air traffic simulations improve the understanding of the complex interaction between the physical climate system, carbon and other greenhouse gas emissions and aviation activity. This paper integrates a national-level air traffic simulation and optimization capability with simple climate models and carbon cycle models, and climate metrics to assess the impact of aviation on climate. The capability can be used to make trade-offs between extra fuel cost and reduction in global surface temperature change. The parameters in the simulation can be used to evaluate the effect of various uncertainties in emission models and contrails and the impact of different decision horizons. Alternatively, the optimization results from the simulation can be used as inputs to other tools that monetize global climate impacts like the FAA s Aviation Environmental Portfolio Management Tool for Impacts.

The use of simulation in teaching the basic sciences.

PubMed

Eason, Martin P

2013-12-01

To assess the current use of simulation in medical education, specifically, the teaching of the basic sciences to accomplish the goal of improved integration. Simulation is increasingly being used by the institutions to teach the basic sciences. Preliminary data suggest that it is an effective tool with increased retention and learner satisfaction. Medical education is undergoing tremendous change. One of the directions of that change is increasing integration of the basic and clinical sciences to improve the efficiency and quality of medical education, and ultimately to improve the patient care. Integration is thought to improve the understanding of basic science conceptual knowledge and to better prepare the learners for clinical practice. Simulation because of its unique effects on learning is currently being successfully used by many institutions as a means to produce that integration through its use in the teaching of the basic sciences. Preliminary data indicate that simulation is an effective tool for basic science education and garners high learner satisfaction.

Prediction of La0.6Sr0.4Co0.2Fe0.8O3 cathode microstructures during sintering: Kinetic Monte Carlo (KMC) simulations calibrated by artificial neural networks

NASA Astrophysics Data System (ADS)

Yan, Zilin; Kim, Yongtae; Hara, Shotaro; Shikazono, Naoki

2017-04-01

The Potts Kinetic Monte Carlo (KMC) model, proven to be a robust tool to study all stages of sintering process, is an ideal tool to analyze the microstructure evolution of electrodes in solid oxide fuel cells (SOFCs). Due to the nature of this model, the input parameters of KMC simulations such as simulation temperatures and attempt frequencies are difficult to identify. We propose a rigorous and efficient approach to facilitate the input parameter calibration process using artificial neural networks (ANNs). The trained ANN reduces drastically the number of trial-and-error of KMC simulations. The KMC simulation using the calibrated input parameters predicts the microstructures of a La0.6Sr0.4Co0.2Fe0.8O3 cathode material during sintering, showing both qualitative and quantitative congruence with real 3D microstructures obtained by focused ion beam scanning electron microscopy (FIB-SEM) reconstruction.

SU-D-213-03: Towards An Optimized 3D Scintillation Dosimetry Tool for Quality Assurance of Dynamic Radiotherapy Techniques

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

Rilling, M; Centre de Recherche sur le Cancer, Hôtel-Dieu de Québec, Quebec City, QC; Département de radio-oncologie, CHU de Québec, Quebec City, QC

2015-06-15

Purpose: The purpose of this work is to simulate a multi-focus plenoptic camera used as the measuring device in a real-time three-dimensional scintillation dosimeter. Simulating and optimizing this realistic optical system will bridge the technological gap between concept validation and a clinically viable tool that can provide highly efficient, accurate and precise measurements for dynamic radiotherapy techniques. Methods: The experimental prototype, previously developed for proof of concept purposes, uses an off-the-shelf multi-focus plenoptic camera. With an array of interleaved microlenses of different focal lengths, this camera records spatial and angular information of light emitted by a plastic scintillator volume. Themore » three distinct microlens focal lengths were determined experimentally for use as baseline parameters by measuring image-to-object magnification for different distances in object space. A simulated plenoptic system was implemented using the non-sequential ray tracing software Zemax: this tool allows complete simulation of multiple optical paths by modeling interactions at interfaces such as scatter, diffraction, reflection and refraction. The active sensor was modeled based on the camera manufacturer specifications by a 2048×2048, 5 µm-pixel pitch sensor. Planar light sources, simulating the plastic scintillator volume, were employed for ray tracing simulations. Results: The microlens focal lengths were determined to be 384, 327 and 290 µm. A realistic multi-focus plenoptic system, with independently defined and optimizable specifications, was fully simulated. A f/2.9 and 54 mm-focal length Double Gauss objective was modeled as the system’s main lens. A three-focal length hexagonal microlens array of 250-µm thickness was designed, acting as an image-relay system between the main lens and sensor. Conclusion: Simulation of a fully modeled multi-focus plenoptic camera enables the decoupled optimization of the main lens and microlens specifications. This work leads the way to improving the 3D dosimeter’s achievable resolution, efficiency and build for providing a quality assurance tool fully meeting clinical needs. M.R. is financially supported by a Master’s Canada Graduate Scholarship from the NSERC. This research is also supported by the NSERC Industrial Research Chair in Optical Design.« less

Using Simulation to Examine the Effect of Physician Heterogeneity on the Operational Efficiency of an Overcrowded Hospital Emergency Department

NASA Astrophysics Data System (ADS)

Kuo, Y.-H.; Leung, J. M. Y.; Graham, C. A.

2015-05-01

In this paper, we present a case study of modelling and analyzing the patient flow of a hospital emergency department in Hong Kong. The emergency department is facing the challenge of overcrowding and the patients there usually experience a long waiting time. Our project team was requested by a senior consultant of the emergency department to analyze the patient flow and provide a decision support tool to help improve their operations. We adopt a simulation approach to mimic their daily operations. With the simulation model, we conduct a computational study to examine the effect of physician heterogeneity on the emergency department performance. We found that physician heterogeneity has a great impact on the operational efficiency and thus should be considered when developing simulation models. Our computational results show that, with the same average of service rates among the physicians, variation in the rates can improve overcrowding situation. This suggests that emergency departments may consider having some efficient physicians to speed up the overall service rate in return for more time for patients who need extra medical care.

Real time estimation of arterial travel time and operational measures through integration of real time fixed sensor data and simulation.

DOT National Transportation Integrated Search

2012-02-01

A wide variety of advanced technological tools have been implemented throughout Georgias : transportation network to increase its efficiency. These systems are credited with reducing or : maintaining freeway congestion levels in light of increasin...

Distributions of Cognates in Europe as Based on Levenshtein Distance

ERIC Educational Resources Information Center

Schepens, Job; Dijkstra, Ton; Grootjen, Franc

2012-01-01

Researchers on bilingual processing can benefit from computational tools developed in artificial intelligence. We show that a normalized Levenshtein distance function can efficiently and reliably simulate bilingual orthographic similarity ratings. Orthographic similarity distributions of cognates and non-cognates were identified across pairs of…

Understanding Building Infrastructure and Building Operation through DOE Asset Score Model: Lessons Learned from a Pilot Project

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

Wang, Na; Goel, Supriya; Gorrissen, Willy J.

2013-06-24

The U.S. Department of Energy (DOE) is developing a national voluntary energy asset score system to help building owners to evaluate the as-built physical characteristics (including building envelope, the mechanical and electrical systems) and overall building energy efficiency, independent of occupancy and operational choices. The energy asset score breaks down building energy use information by simulating building performance under typical operating and occupancy conditions for a given use type. A web-based modeling tool, the energy asset score tool facilitates the implementation of the asset score system. The tool consists of a simplified user interface built on a centralized simulation enginemore » (EnergyPlus). It is intended to reduce both the implementation cost for the users and increase modeling standardization compared with an approach that requires users to build their own energy models. A pilot project with forty-two buildings (consisting mostly offices and schools) was conducted in 2012. This paper reports the findings. Participants were asked to collect a minimum set of building data and enter it into the asset score tool. Participants also provided their utility bills, existing ENERGY STAR scores, and previous energy audit/modeling results if available. The results from the asset score tool were compared with the building energy use data provided by the pilot participants. Three comparisons were performed. First, the actual building energy use, either from the utility bills or via ENERGY STAR Portfolio Manager, was compared with the modeled energy use. It was intended to examine how well the energy asset score represents a building’s system efficiencies, and how well it is correlated to a building’s actual energy consumption. Second, calibrated building energy models (where they exist) were used to examine any discrepancies between the asset score model and the pilot participant buildings’ [known] energy use pattern. This comparison examined the end use breakdowns and more detailed time series data. Third, ASHRAE 90.1 prototype buildings were also used as an industry standard modeling approach to test the accuracy level of the asset score tool. Our analysis showed that the asset score tool, which uses simplified building simulation, could provide results comparable to a more detailed energy model. The buildings’ as-built efficiency can be reflected in the energy asset score. An analysis between the modeled energy use through the asset score tool and the actual energy use from the utility bills can further inform building owners about the effectiveness of their building’s operation and maintenance.« less

Design and Analysis of Bionic Cutting Blades Using Finite Element Method.

PubMed

Li, Mo; Yang, Yuwang; Guo, Li; Chen, Donghui; Sun, Hongliang; Tong, Jin

2015-01-01

Praying mantis is one of the most efficient predators in insect world, which has a pair of powerful tools, two sharp and strong forelegs. Its femur and tibia are both armed with a double row of strong spines along their posterior edges which can firmly grasp the prey, when the femur and tibia fold on each other in capturing. These spines are so sharp that they can easily and quickly cut into the prey. The geometrical characteristic of the praying mantis's foreleg, especially its tibia, has important reference value for the design of agricultural soil-cutting tools. Learning from the profile and arrangement of these spines, cutting blades with tooth profile were designed in this work. Two different sizes of tooth structure and arrangement were utilized in the design on the cutting edge. A conventional smooth-edge blade was used to compare with the bionic serrate-edge blades. To compare the working efficiency of conventional blade and bionic blades, 3D finite element simulation analysis and experimental measurement were operated in present work. Both the simulation and experimental results indicated that the bionic serrate-edge blades showed better performance in cutting efficiency.

Design and Analysis of Bionic Cutting Blades Using Finite Element Method

PubMed Central

Li, Mo; Yang, Yuwang; Guo, Li; Chen, Donghui; Sun, Hongliang; Tong, Jin

2015-01-01

Praying mantis is one of the most efficient predators in insect world, which has a pair of powerful tools, two sharp and strong forelegs. Its femur and tibia are both armed with a double row of strong spines along their posterior edges which can firmly grasp the prey, when the femur and tibia fold on each other in capturing. These spines are so sharp that they can easily and quickly cut into the prey. The geometrical characteristic of the praying mantis's foreleg, especially its tibia, has important reference value for the design of agricultural soil-cutting tools. Learning from the profile and arrangement of these spines, cutting blades with tooth profile were designed in this work. Two different sizes of tooth structure and arrangement were utilized in the design on the cutting edge. A conventional smooth-edge blade was used to compare with the bionic serrate-edge blades. To compare the working efficiency of conventional blade and bionic blades, 3D finite element simulation analysis and experimental measurement were operated in present work. Both the simulation and experimental results indicated that the bionic serrate-edge blades showed better performance in cutting efficiency. PMID:27019583

Freud: a software suite for high-throughput simulation analysis

NASA Astrophysics Data System (ADS)

Harper, Eric; Spellings, Matthew; Anderson, Joshua; Glotzer, Sharon

Computer simulation is an indispensable tool for the study of a wide variety of systems. As simulations scale to fill petascale and exascale supercomputing clusters, so too does the size of the data produced, as well as the difficulty in analyzing these data. We present Freud, an analysis software suite for efficient analysis of simulation data. Freud makes no assumptions about the system being analyzed, allowing for general analysis methods to be applied to nearly any type of simulation. Freud includes standard analysis methods such as the radial distribution function, as well as new methods including the potential of mean force and torque and local crystal environment analysis. Freud combines a Python interface with fast, parallel C + + analysis routines to run efficiently on laptops, workstations, and supercomputing clusters. Data analysis on clusters reduces data transfer requirements, a prohibitive cost for petascale computing. Used in conjunction with simulation software, Freud allows for smart simulations that adapt to the current state of the system, enabling the study of phenomena such as nucleation and growth, intelligent investigation of phases and phase transitions, and determination of effective pair potentials.

CFD - Mature Technology?

NASA Technical Reports Server (NTRS)

Kwak, Dochan

2005-01-01

Over the past 30 years, numerical methods and simulation tools for fluid dynamic problems have advanced as a new discipline, namely, computational fluid dynamics (CFD). Although a wide spectrum of flow regimes are encountered in many areas of science and engineering, simulation of compressible flow has been the major driver for developing computational algorithms and tools. This is probably due to a large demand for predicting the aerodynamic performance characteristics of flight vehicles, such as commercial, military, and space vehicles. As flow analysis is required to be more accurate and computationally efficient for both commercial and mission-oriented applications (such as those encountered in meteorology, aerospace vehicle development, general fluid engineering and biofluid analysis) CFD tools for engineering become increasingly important for predicting safety, performance and cost. This paper presents the author's perspective on the maturity of CFD, especially from an aerospace engineering point of view.

Future Automotive Systems Technology Simulator (FASTSim)

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

An advanced vehicle powertrain systems analysis tool, the Future Automotive Systems Technology Simulator (FASTSim) provides a simple way to compare powertrains and estimate the impact of technology improvements on light-, medium- and heavy-duty vehicle efficiency, performance, cost, and battery life. Created by the National Renewable Energy Laboratory, FASTSim accommodates a range of vehicle types - including conventional vehicles, electric-drive vehicles, and fuel cell vehicles - and is available for free download in Microsoft Excel and Python formats.

FERN - a Java framework for stochastic simulation and evaluation of reaction networks.

PubMed

Erhard, Florian; Friedel, Caroline C; Zimmer, Ralf

2008-08-29

Stochastic simulation can be used to illustrate the development of biological systems over time and the stochastic nature of these processes. Currently available programs for stochastic simulation, however, are limited in that they either a) do not provide the most efficient simulation algorithms and are difficult to extend, b) cannot be easily integrated into other applications or c) do not allow to monitor and intervene during the simulation process in an easy and intuitive way. Thus, in order to use stochastic simulation in innovative high-level modeling and analysis approaches more flexible tools are necessary. In this article, we present FERN (Framework for Evaluation of Reaction Networks), a Java framework for the efficient simulation of chemical reaction networks. FERN is subdivided into three layers for network representation, simulation and visualization of the simulation results each of which can be easily extended. It provides efficient and accurate state-of-the-art stochastic simulation algorithms for well-mixed chemical systems and a powerful observer system, which makes it possible to track and control the simulation progress on every level. To illustrate how FERN can be easily integrated into other systems biology applications, plugins to Cytoscape and CellDesigner are included. These plugins make it possible to run simulations and to observe the simulation progress in a reaction network in real-time from within the Cytoscape or CellDesigner environment. FERN addresses shortcomings of currently available stochastic simulation programs in several ways. First, it provides a broad range of efficient and accurate algorithms both for exact and approximate stochastic simulation and a simple interface for extending to new algorithms. FERN's implementations are considerably faster than the C implementations of gillespie2 or the Java implementations of ISBJava. Second, it can be used in a straightforward way both as a stand-alone program and within new systems biology applications. Finally, complex scenarios requiring intervention during the simulation progress can be modelled easily with FERN.

An object oriented Python interface for atomistic simulations

NASA Astrophysics Data System (ADS)

Hynninen, T.; Himanen, L.; Parkkinen, V.; Musso, T.; Corander, J.; Foster, A. S.

2016-01-01

Programmable simulation environments allow one to monitor and control calculations efficiently and automatically before, during, and after runtime. Environments directly accessible in a programming environment can be interfaced with powerful external analysis tools and extensions to enhance the functionality of the core program, and by incorporating a flexible object based structure, the environments make building and analysing computational setups intuitive. In this work, we present a classical atomistic force field with an interface written in Python language. The program is an extension for an existing object based atomistic simulation environment.

Atomdroid: a computational chemistry tool for mobile platforms.

PubMed

Feldt, Jonas; Mata, Ricardo A; Dieterich, Johannes M

2012-04-23

We present the implementation of a new molecular mechanics program designed for use in mobile platforms, the first specifically built for these devices. The software is designed to run on Android operating systems and is compatible with several modern tablet-PCs and smartphones available in the market. It includes molecular viewer/builder capabilities with integrated routines for geometry optimizations and Monte Carlo simulations. These functionalities allow it to work as a stand-alone tool. We discuss some particular development aspects, as well as the overall feasibility of using computational chemistry software packages in mobile platforms. Benchmark calculations show that through efficient implementation techniques even hand-held devices can be used to simulate midsized systems using force fields.

Dynamic Performance Comparison for MPPT-PV Systems using Hybrid Pspice/Matlab Simulation

NASA Astrophysics Data System (ADS)

Aouchiche, N.; Becherif, M.; HadjArab, A.; Aitcheikh, M. S.; Ramadan, H. S.; Cheknane, A.

2016-10-01

The power generated by solar photovoltaic (PV) module depends on the surrounding irradiance and temperature. This paper presents a hybrid Matlab™/Pspice™ simulation model of PV system, combined with Cadence software SLPS. The hybridization is performed in order to gain the advantages of both simulation tools such as accuracy and efficiency in both Pspice electronic circuit and Matlab™ mathematical modelling respectively. For this purpose, the PV panel and the boost converter are developed using Pspice™ and hybridized with the mathematical Matlab™ model of maximum power point method controller (MPPT) through SLPS. The main objective is verify the significance of using the proposed hybrid simulation techniques in comparing the different MPPT algorithms such as the perturbation and observation (P&O), incremental of conductance (Inc-Cond) and counter reaction voltage using pilot cell (Pilot-Cell). Various simulations are performed under different atmospheric conditions in order to evaluate the dynamic behaviour for the system under study in terms of stability, efficiency and rapidity.

Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms☆

PubMed Central

Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

2016-01-01

This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins. Guest Editors: J.C. Gumbart and Sergei Noskov. PMID:26766517

A versatile model for soft patchy particles with various patch arrangements.

PubMed

Li, Zhan-Wei; Zhu, You-Liang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2016-01-21

We propose a simple and general mesoscale soft patchy particle model, which can felicitously describe the deformable and surface-anisotropic characteristics of soft patchy particles. This model can be used in dynamics simulations to investigate the aggregation behavior and mechanism of various types of soft patchy particles with tunable number, size, direction, and geometrical arrangement of the patches. To improve the computational efficiency of this mesoscale model in dynamics simulations, we give the simulation algorithm that fits the compute unified device architecture (CUDA) framework of NVIDIA graphics processing units (GPUs). The validation of the model and the performance of the simulations using GPUs are demonstrated by simulating several benchmark systems of soft patchy particles with 1 to 4 patches in a regular geometrical arrangement. Because of its simplicity and computational efficiency, the soft patchy particle model will provide a powerful tool to investigate the aggregation behavior of soft patchy particles, such as patchy micelles, patchy microgels, and patchy dendrimers, over larger spatial and temporal scales.

Common Methodology for Efficient Airspace Operations

NASA Technical Reports Server (NTRS)

Sridhar, Banavar

2012-01-01

Topics include: a) Developing a common methodology to model and avoid disturbances affecting airspace. b) Integrated contrails and emission models to a national level airspace simulation. c) Developed capability to visualize, evaluate technology and alternate operational concepts and provide inputs for policy-analysis tools to reduce the impact of aviation on the environment. d) Collaborating with Volpe Research Center, NOAA and DLR to leverage expertise and tools in aircraft emissions and weather/climate modeling. Airspace operations is a trade-off balancing safety, capacity, efficiency and environmental considerations. Ideal flight: Unimpeded wind optimal route with optimal climb and descent. Operations degraded due to reduction in airport and airspace capacity caused by inefficient procedures and disturbances.

Adaptive sparse grid approach for the efficient simulation of pulsed eddy current testing inspections

NASA Astrophysics Data System (ADS)

Miorelli, Roberto; Reboud, Christophe

2018-04-01

Pulsed Eddy Current Testing (PECT) is a popular NonDestructive Testing (NDT) technique for some applications like corrosion monitoring in the oil and gas industry, or rivet inspection in the aeronautic area. Its particularity is to use a transient excitation, which allows to retrieve more information from the piece than conventional harmonic ECT, in a simpler and cheaper way than multi-frequency ECT setups. Efficient modeling tools prove, as usual, very useful to optimize experimental sensors and devices or evaluate their performance, for instance. This paper proposes an efficient simulation of PECT signals based on standard time harmonic solvers and use of an Adaptive Sparse Grid (ASG) algorithm. An adaptive sampling of the ECT signal spectrum is performed with this algorithm, then the complete spectrum is interpolated from this sparse representation and PECT signals are finally synthesized by means of inverse Fourier transform. Simulation results corresponding to existing industrial configurations are presented and the performance of the strategy is discussed by comparison to reference results.

How to use MPI communication in highly parallel climate simulations more easily and more efficiently.

NASA Astrophysics Data System (ADS)

Behrens, Jörg; Hanke, Moritz; Jahns, Thomas

2014-05-01

In this talk we present a way to facilitate efficient use of MPI communication for developers of climate models. Exploitation of the performance potential of today's highly parallel supercomputers with real world simulations is a complex task. This is partly caused by the low level nature of the MPI communication library which is the dominant communication tool at least for inter-node communication. In order to manage the complexity of the task, climate simulations with non-trivial communication patterns often use an internal abstraction layer above MPI without exploiting the benefits of communication aggregation or MPI-datatypes. The solution for the complexity and performance problem we propose is the communication library YAXT. This library is built on top of MPI and takes high level descriptions of arbitrary domain decompositions and automatically derives an efficient collective data exchange. Several exchanges can be aggregated in order to reduce latency costs. Examples are given which demonstrate the simplicity and the performance gains for selected climate applications.

Efficient parallel simulation of CO2 geologic sequestration insaline aquifers

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

Zhang, Keni; Doughty, Christine; Wu, Yu-Shu

2007-01-01

An efficient parallel simulator for large-scale, long-termCO2 geologic sequestration in saline aquifers has been developed. Theparallel simulator is a three-dimensional, fully implicit model thatsolves large, sparse linear systems arising from discretization of thepartial differential equations for mass and energy balance in porous andfractured media. The simulator is based on the ECO2N module of the TOUGH2code and inherits all the process capabilities of the single-CPU TOUGH2code, including a comprehensive description of the thermodynamics andthermophysical properties of H2O-NaCl- CO2 mixtures, modeling singleand/or two-phase isothermal or non-isothermal flow processes, two-phasemixtures, fluid phases appearing or disappearing, as well as saltprecipitation or dissolution. The newmore » parallel simulator uses MPI forparallel implementation, the METIS software package for simulation domainpartitioning, and the iterative parallel linear solver package Aztec forsolving linear equations by multiple processors. In addition, theparallel simulator has been implemented with an efficient communicationscheme. Test examples show that a linear or super-linear speedup can beobtained on Linux clusters as well as on supercomputers. Because of thesignificant improvement in both simulation time and memory requirement,the new simulator provides a powerful tool for tackling larger scale andmore complex problems than can be solved by single-CPU codes. Ahigh-resolution simulation example is presented that models buoyantconvection, induced by a small increase in brine density caused bydissolution of CO2.« less

Computational Challenges of Viscous Incompressible Flows

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin; Kim, Chang Sung

2004-01-01

Over the past thirty years, numerical methods and simulation tools for incompressible flows have been advanced as a subset of the computational fluid dynamics (CFD) discipline. Although incompressible flows are encountered in many areas of engineering, simulation of compressible flow has been the major driver for developing computational algorithms and tools. This is probably due to the rather stringent requirements for predicting aerodynamic performance characteristics of flight vehicles, while flow devices involving low-speed or incompressible flow could be reasonably well designed without resorting to accurate numerical simulations. As flow devices are required to be more sophisticated and highly efficient CFD took become increasingly important in fluid engineering for incompressible and low-speed flow. This paper reviews some of the successes made possible by advances in computational technologies during the same period, and discusses some of the current challenges faced in computing incompressible flows.

Simulation-based ongoing professional practice evaluation in psychiatry: a novel tool for performance assessment.

PubMed

Gorrindo, Tristan; Goldfarb, Elizabeth; Birnbaum, Robert J; Chevalier, Lydia; Meller, Benjamin; Alpert, Jonathan; Herman, John; Weiss, Anthony

2013-07-01

Ongoing professional practice evaluation (OPPE) activities consist of a quantitative, competency-based evaluation of clinical performance. Hospitals must design assessments that measure clinical competencies, are scalable, and minimize impact on the clinician's daily routines. A psychiatry department at a large academic medical center designed and implemented an interactive Web-based psychiatric simulation focusing on violence risk assessment as a tool for a departmentwide OPPE. Of 412 invited clinicians in a large psychiatry department, 410 completed an online simulation in April-May 2012. Participants received scheduled e-mail reminders with instructions describing how to access the simulation. Using the Computer Simulation Assessment Tool, participants viewed an introductory video and were then asked to conduct a risk assessment, acting as a clinician in the encounter by selecting actions from a series of drop-down menus. Each action was paired with a corresponding video segment of a clinical encounter with a standardized patient. Participants were scored on the basis of their actions within the simulation (Measure 1) and by their responses to the open-ended questions in which they were asked to integrate the information from the simulation in a summative manner (Measure 2). Of the 410 clinicians, 381 (92.9%) passed Measure 1,359 (87.6%) passed Measure 2, and 5 (1.2%) failed both measures. Seventy-five (18.3%) participants were referred for focused professional practice evaluation (FPPE) after failing either Measure 1, Measure 2, or both. Overall, Web-based simulation and e-mail engagement tools were a scalable and efficient way to assess a large number of clinicians in OPPE and to identify those who required FPPE.

A finite element analysis modeling tool for solid oxide fuel cell development: coupled electrochemistry, thermal and flow analysis in MARC®

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

Khaleel, Mohammad A.; Lin, Zijing; Singh, Prabhakar

2004-05-03

A 3D simulation tool for modeling solid oxide fuel cells is described. The tool combines the versatility and efficiency of a commercial finite element analysis code, MARC{reg_sign}, with an in-house developed robust and flexible electrochemical (EC) module. Based upon characteristic parameters obtained experimentally and assigned by the user, the EC module calculates the current density distribution, heat generation, and fuel and oxidant species concentration, taking the temperature profile provided by MARC{reg_sign} and operating conditions such as the fuel and oxidant flow rate and the total stack output voltage or current as the input. MARC{reg_sign} performs flow and thermal analyses basedmore » on the initial and boundary thermal and flow conditions and the heat generation calculated by the EC module. The main coupling between MARC{reg_sign} and EC is for MARC{reg_sign} to supply the temperature field to EC and for EC to give the heat generation profile to MARC{reg_sign}. The loosely coupled, iterative scheme is advantageous in terms of memory requirement, numerical stability and computational efficiency. The coupling is iterated to self-consistency for a steady-state solution. Sample results for steady states as well as the startup process for stacks with different flow designs are presented to illustrate the modeling capability and numerical performance characteristic of the simulation tool.« less

Mixed reality ventriculostomy simulation: experience in neurosurgical residency.

PubMed

Hooten, Kristopher G; Lister, J Richard; Lombard, Gwen; Lizdas, David E; Lampotang, Samsun; Rajon, Didier A; Bova, Frank; Murad, Gregory J A

2014-12-01

Medicine and surgery are turning toward simulation to improve on limited patient interaction during residency training. Many simulators today use virtual reality with augmented haptic feedback with little to no physical elements. In a collaborative effort, the University of Florida Department of Neurosurgery and the Center for Safety, Simulation & Advanced Learning Technologies created a novel "mixed" physical and virtual simulator to mimic the ventriculostomy procedure. The simulator contains all the physical components encountered for the procedure with superimposed 3-D virtual elements for the neuroanatomical structures. To introduce the ventriculostomy simulator and its validation as a necessary training tool in neurosurgical residency. We tested the simulator in more than 260 residents. An algorithm combining time and accuracy was used to grade performance. Voluntary postperformance surveys were used to evaluate the experience. Results demonstrate that more experienced residents have statistically significant better scores and completed the procedure in less time than inexperienced residents. Survey results revealed that most residents agreed that practice on the simulator would help with future ventriculostomies. This mixed reality simulator provides a real-life experience, and will be an instrumental tool in training the next generation of neurosurgeons. We have now implemented a standard where incoming residents must prove efficiency and skill on the simulator before their first interaction with a patient.

Research and Analysis of Image Processing Technologies Based on DotNet Framework

NASA Astrophysics Data System (ADS)

Ya-Lin, Song; Chen-Xi, Bai

Microsoft.Net is a kind of most popular program development tool. This paper gave a detailed analysis concluded about some image processing technologies of the advantages and disadvantages by .Net processed image while the same algorithm is used in Programming experiments. The result shows that the two best efficient methods are unsafe pointer and Direct 3D, and Direct 3D used to 3D simulation development, and the others are useful in some fields while these technologies are poor efficiency and not suited to real-time processing. The experiment results in paper will help some projects about image processing and simulation based DotNet and it has strong practicability.

A web-based rapid assessment tool for production publishing solutions

NASA Astrophysics Data System (ADS)

Sun, Tong

2010-02-01

Solution assessment is a critical first-step in understanding and measuring the business process efficiency enabled by an integrated solution package. However, assessing the effectiveness of any solution is usually a very expensive and timeconsuming task which involves lots of domain knowledge, collecting and understanding the specific customer operational context, defining validation scenarios and estimating the expected performance and operational cost. This paper presents an intelligent web-based tool that can rapidly assess any given solution package for production publishing workflows via a simulation engine and create a report for various estimated performance metrics (e.g. throughput, turnaround time, resource utilization) and operational cost. By integrating the digital publishing workflow ontology and an activity based costing model with a Petri-net based workflow simulation engine, this web-based tool allows users to quickly evaluate any potential digital publishing solutions side-by-side within their desired operational contexts, and provides a low-cost and rapid assessment for organizations before committing any purchase. This tool also benefits the solution providers to shorten the sales cycles, establishing a trustworthy customer relationship and supplement the professional assessment services with a proven quantitative simulation and estimation technology.

Modeling RF-induced Plasma-Surface Interactions with VSim

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Smithe, David N.; Pankin, Alexei Y.; Roark, Christine M.; Stoltz, Peter H.; Zhou, Sean C.-D.; Kruger, Scott E.

2014-10-01

An overview of ongoing enhancements to the Plasma Discharge (PD) module of Tech-X's VSim software tool is presented. A sub-grid kinetic sheath model, developed for the accurate computation of sheath potentials near metal and dielectric-coated walls, enables the physical effects of DC and RF sheath dynamics to be included in macroscopic-scale plasma simulations that need not explicitly resolve sheath scale lengths. Sheath potential evolution, together with particle behavior near the sheath (e.g. sputtering), can thus be simulated in complex, experimentally relevant geometries. Simulations of RF sheath-enhanced impurity production near surfaces of the C-Mod field-aligned ICRF antenna are presented to illustrate the model; impurity mitigation techniques are also explored. Model extensions to capture the physics of secondary electron emission and of multispecies plasmas are summarized, together with a discussion of improved tools for plasma chemistry and IEDF/EEDF visualization and modeling. The latter tools are also highly relevant for commercial plasma processing applications. Ultimately, we aim to establish VSimPD as a robust, efficient computational tool for modeling fusion and industrial plasma processes. Supported by U.S. DoE SBIR Phase I/II Award DE-SC0009501.

Scalable streaming tools for analyzing N-body simulations: Finding halos and investigating excursion sets in one pass

NASA Astrophysics Data System (ADS)

Ivkin, N.; Liu, Z.; Yang, L. F.; Kumar, S. S.; Lemson, G.; Neyrinck, M.; Szalay, A. S.; Braverman, V.; Budavari, T.

2018-04-01

Cosmological N-body simulations play a vital role in studying models for the evolution of the Universe. To compare to observations and make a scientific inference, statistic analysis on large simulation datasets, e.g., finding halos, obtaining multi-point correlation functions, is crucial. However, traditional in-memory methods for these tasks do not scale to the datasets that are forbiddingly large in modern simulations. Our prior paper (Liu et al., 2015) proposes memory-efficient streaming algorithms that can find the largest halos in a simulation with up to 109 particles on a small server or desktop. However, this approach fails when directly scaling to larger datasets. This paper presents a robust streaming tool that leverages state-of-the-art techniques on GPU boosting, sampling, and parallel I/O, to significantly improve performance and scalability. Our rigorous analysis of the sketch parameters improves the previous results from finding the centers of the 103 largest halos (Liu et al., 2015) to ∼ 104 - 105, and reveals the trade-offs between memory, running time and number of halos. Our experiments show that our tool can scale to datasets with up to ∼ 1012 particles while using less than an hour of running time on a single GPU Nvidia GTX 1080.

Unsteady Three-Dimensional Simulation of a Shear Coaxial GO2/GH2 Rocket Injector with RANS and Hybrid-RAN-LES/DES Using Flamelet Models

NASA Technical Reports Server (NTRS)

Westra, Doug G.; West, Jeffrey S.; Richardson, Brian R.

2015-01-01

Historically, the analysis and design of liquid rocket engines (LREs) has relied on full-scale testing and one-dimensional empirical tools. The testing is extremely expensive and the one-dimensional tools are not designed to capture the highly complex, and multi-dimensional features that are inherent to LREs. Recent advances in computational fluid dynamics (CFD) tools have made it possible to predict liquid rocket engine performance, stability, to assess the effect of complex flow features, and to evaluate injector-driven thermal environments, to mitigate the cost of testing. Extensive efforts to verify and validate these CFD tools have been conducted, to provide confidence for using them during the design cycle. Previous validation efforts have documented comparisons of predicted heat flux thermal environments with test data for a single element gaseous oxygen (GO2) and gaseous hydrogen (GH2) injector. The most notable validation effort was a comprehensive validation effort conducted by Tucker et al. [1], in which a number of different groups modeled a GO2/GH2 single element configuration by Pal et al [2]. The tools used for this validation comparison employed a range of algorithms, from both steady and unsteady Reynolds Averaged Navier-Stokes (U/RANS) calculations, large-eddy simulations (LES), detached eddy simulations (DES), and various combinations. A more recent effort by Thakur et al. [3] focused on using a state-of-the-art CFD simulation tool, Loci/STREAM, on a two-dimensional grid. Loci/STREAM was chosen because it has a unique, very efficient flamelet parameterization of combustion reactions that are too computationally expensive to simulate with conventional finite-rate chemistry calculations. The current effort focuses on further advancement of validation efforts, again using the Loci/STREAM tool with the flamelet parameterization, but this time with a three-dimensional grid. Comparisons to the Pal et al. heat flux data will be made for both RANS and Hybrid RANSLES/ Detached Eddy simulations (DES). Computation costs will be reported, along with comparison of accuracy and cost to much less expensive two-dimensional RANS simulations of the same geometry.

Development of the McGill simulator for endoscopic sinus surgery: a new high-fidelity virtual reality simulator for endoscopic sinus surgery.

PubMed

Varshney, Rickul; Frenkiel, Saul; Nguyen, Lily H P; Young, Meredith; Del Maestro, Rolando; Zeitouni, Anthony; Tewfik, Marc A

2014-01-01

The technical challenges of endoscopic sinus surgery (ESS) and the high risk of complications support the development of alternative modalities to train residents in these procedures. Virtual reality simulation is becoming a useful tool for training the skills necessary for minimally invasive surgery; however, there are currently no ESS virtual reality simulators available with valid evidence supporting their use in resident education. Our aim was to develop a new rhinology simulator, as well as to define potential performance metrics for trainee assessment. The McGill simulator for endoscopic sinus surgery (MSESS), a new sinus surgery virtual reality simulator with haptic feedback, was developed (a collaboration between the McGill University Department of Otolaryngology-Head and Neck Surgery, the Montreal Neurologic Institute Simulation Lab, and the National Research Council of Canada). A panel of experts in education, performance assessment, rhinology, and skull base surgery convened to identify core technical abilities that would need to be taught by the simulator, as well as performance metrics to be developed and captured. The MSESS allows the user to perform basic sinus surgery skills, such as an ethmoidectomy and sphenoidotomy, through the use of endoscopic tools in a virtual nasal model. The performance metrics were developed by an expert panel and include measurements of safety, quality, and efficiency of the procedure. The MSESS incorporates novel technological advancements to create a realistic platform for trainees. To our knowledge, this is the first simulator to combine novel tools such as the endonasal wash and elaborate anatomic deformity with advanced performance metrics for ESS.

Assessment of Lightning Transients on a De-Iced Rotor Blade with Predictive Tools and Coaxial Return Measurements

NASA Astrophysics Data System (ADS)

Guillet, S.; Gosmain, A.; Ducoux, W.; Ponçon, M.; Fontaine, G.; Desseix, P.; Perraud, P.

2012-05-01

The increasing use of composite materials in aircrafts primary structures has led to different problematics in the field of safety of flight in lightning conditions. The consequences of this technological mutation, which occurs in a parallel context of extension of electrified critical functions, are addressed by aircraft manufacturers through the enhancement of their available assessment means of lightning transient. On the one hand, simulation tools, provided an accurate description of aircraft design, are today valuable assessment tools, in both predictive and operative terms. On the other hand, in-house test means allow confirmation and consolidation of design office hardening solutions. The combined use of predictive simulation tools and in- house test means offers an efficient and reliable support for all aircraft developments in their various life-time stages. The present paper provides PREFACE research project results that illustrate the above introduced strategy on the de-icing system of the NH90 composite main rotor blade.

DUK - A Fast and Efficient Kmer Based Sequence Matching Tool

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

Li, Mingkun; Copeland, Alex; Han, James

2011-03-21

A new tool, DUK, is developed to perform matching task. Matching is to find whether a query sequence partially or totally matches given reference sequences or not. Matching is similar to alignment. Indeed many traditional analysis tasks like contaminant removal use alignment tools. But for matching, there is no need to know which bases of a query sequence matches which position of a reference sequence, it only need know whether there exists a match or not. This subtle difference can make matching task much faster than alignment. DUK is accurate, versatile, fast, and has efficient memory usage. It uses Kmermore » hashing method to index reference sequences and Poisson model to calculate p-value. DUK is carefully implemented in C++ in object oriented design. The resulted classes can also be used to develop other tools quickly. DUK have been widely used in JGI for a wide range of applications such as contaminant removal, organelle genome separation, and assembly refinement. Many real applications and simulated dataset demonstrate its power.« less

Scout: An Impact Analysis Tool for Building Energy-Efficiency Technologies

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

Harris, Chioke; Langevin, Jared; Roth, Amir

Evaluating the national impacts of candidate U.S. building energy-efficiency technologies has historically been difficult for organizations with large energy efficiency portfolios. In particular, normalizing results from technology-specific impact studies is time-consuming when those studies do not use comparable assumptions about the underlying building stock. To equitably evaluate its technology research, development, and deployment portfolio, the U.S. Department of Energy's Building Technologies Office has developed Scout, a software tool that quantitatively assesses the energy and CO2 impacts of building energy-efficiency measures on the national building stock. Scout efficiency measures improve upon the unit performance and/or lifetime operational costs of an equipmentmore » stock baseline that is determined from the U.S. Energy Information Administration Annual Energy Outlook (AEO). Scout measures are characterized by a market entry and exit year, unit performance level, cost, and lifetime. To evaluate measures on a consistent basis, Scout uses EnergyPlus simulation on prototype building models to translate measure performance specifications to whole-building energy savings; these savings impacts are then extended to a national scale using floor area weighting factors. Scout represents evolution in the building stock over time using AEO projections for new construction, retrofit, and equipment replacements, and competes technologies within market segments under multiple adoption scenarios. Scout and its efficiency measures are open-source, as is the EnergyPlus whole building simulation framework that is used to evaluate measure performance. The program is currently under active development and will be formally released once an initial set of measures has been analyzed and reviewed.« less

IMPLEMENTATION OF A CAPE-OPEN COMPLIANT PROCESS SIMULATOR USING MICROSOFT'S VISUAL STUDIO.NET AND THE .NET FRAMEWORK

EPA Science Inventory

The United States Environmental Protection Agency is developing a Computer
Aided Process Engineering (CAPE) software tool for the metal finishing
industry that helps users design efficient metal finishing processes that
are less polluting to the environment. Metal finish...

Development of the Next Generation of Biogeochemistry Simulations Using EMSL's NWChem Molecular Modeling Software

NASA Astrophysics Data System (ADS)

Bylaska, E. J.; Kowalski, K.; Apra, E.; Govind, N.; Valiev, M.

2017-12-01

Methods of directly simulating the behavior of complex strongly interacting atomic systems (molecular dynamics, Monte Carlo) have provided important insight into the behavior of nanoparticles, biogeochemical systems, mineral/fluid systems, nanoparticles, actinide systems and geofluids. The limitation of these methods to even wider applications is the difficulty of developing accurate potential interactions in these systems at the molecular level that capture their complex chemistry. The well-developed tools of quantum chemistry and physics have been shown to approach the accuracy required. However, despite the continuous effort being put into improving their accuracy and efficiency, these tools will be of little value to condensed matter problems without continued improvements in techniques to traverse and sample the high-dimensional phase space needed to span the ˜10^12 time scale differences between molecular simulation and chemical events. In recent years, we have made considerable progress in developing electronic structure and AIMD methods tailored to treat biochemical and geochemical problems, including very efficient implementations of many-body methods, fast exact exchange methods, electron-transfer methods, excited state methods, QM/MM, and new parallel algorithms that scale to +100,000 cores. The poster will focus on the fundamentals of these methods and the realities in terms of system size, computational requirements and simulation times that are required for their application to complex biogeochemical systems.

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.

PubMed

Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J; Wang, Liliang; Lin, Jianguo

2016-12-13

The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions.

Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes

PubMed Central

Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J.; Wang, Liliang; Lin, Jianguo

2016-01-01

The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions. PMID:28060298

Simulation and statistical analysis for the optimization of nitrogen liquefaction plant with cryogenic Claude cycle using process modeling tool: ASPEN HYSYS

NASA Astrophysics Data System (ADS)

Joshi, D. M.

2017-09-01

Cryogenic technology is used for liquefaction of many gases and it has several applications in food process engineering. Temperatures below 123 K are considered to be in the field of cryogenics. Extreme low temperatures are a basic need for many industrial processes and have several applications, such as superconductivity of magnets, space, medicine and gas industries. Several methods can be used to obtain the low temperatures required for liquefaction of gases. The process of cooling or refrigerating a gas to a temperature below its critical temperature so that liquid can be formed at some suitable pressure, which is below the critical pressure, is the basic liquefaction process. Different cryogenic cycle configurations are designed for getting the liquefied form of gases at different temperatures. Each of the cryogenic cycles like Linde cycle, Claude cycle, Kapitza cycle or modified Claude cycle has its own advantages and disadvantages. The placement of heat exchangers, Joule-Thompson valve and turboexpander decides the configuration of a cryogenic cycle. Each configuration has its own efficiency according to the application. Here, a nitrogen liquefaction plant is used for the analysis purpose. The process modeling tool ASPEN HYSYS can provide a software simulation approach before the actual implementation of the plant in the field. This paper presents the simulation and statistical analysis of the Claude cycle with the process modeling tool ASPEN HYSYS. It covers the technique used to optimize the liquefaction of the plant. The simulation results so obtained can be used as a reference for the design and optimization of the nitrogen liquefaction plant. Efficient liquefaction will give the best performance and productivity to the plant.

Modeling Methodologies for Design and Control of Solid Oxide Fuel Cell APUs

NASA Astrophysics Data System (ADS)

Pianese, C.; Sorrentino, M.

2009-08-01

Among the existing fuel cell technologies, Solid Oxide Fuel Cells (SOFC) are particularly suitable for both stationary and mobile applications, due to their high energy conversion efficiencies, modularity, high fuel flexibility, low emissions and noise. Moreover, the high working temperatures enable their use for efficient cogeneration applications. SOFCs are entering in a pre-industrial era and a strong interest for designing tools has growth in the last years. Optimal system configuration, components sizing, control and diagnostic system design require computational tools that meet the conflicting needs of accuracy, affordable computational time, limited experimental efforts and flexibility. The paper gives an overview on control-oriented modeling of SOFC at both single cell and stack level. Such an approach provides useful simulation tools for designing and controlling SOFC-APUs destined to a wide application area, ranging from automotive to marine and airplane APUs.

Cost effective simulation-based multiobjective optimization in the performance of an internal combustion engine

NASA Astrophysics Data System (ADS)

Aittokoski, Timo; Miettinen, Kaisa

2008-07-01

Solving real-life engineering problems can be difficult because they often have multiple conflicting objectives, the objective functions involved are highly nonlinear and they contain multiple local minima. Furthermore, function values are often produced via a time-consuming simulation process. These facts suggest the need for an automated optimization tool that is efficient (in terms of number of objective function evaluations) and capable of solving global and multiobjective optimization problems. In this article, the requirements on a general simulation-based optimization system are discussed and such a system is applied to optimize the performance of a two-stroke combustion engine. In the example of a simulation-based optimization problem, the dimensions and shape of the exhaust pipe of a two-stroke engine are altered, and values of three conflicting objective functions are optimized. These values are derived from power output characteristics of the engine. The optimization approach involves interactive multiobjective optimization and provides a convenient tool to balance between conflicting objectives and to find good solutions.

Simulation of guided-wave ultrasound propagation in composite laminates: Benchmark comparisons of numerical codes and experiment.

PubMed

Leckey, Cara A C; Wheeler, Kevin R; Hafiychuk, Vasyl N; Hafiychuk, Halyna; Timuçin, Doğan A

2018-03-01

Ultrasonic wave methods constitute the leading physical mechanism for nondestructive evaluation (NDE) and structural health monitoring (SHM) of solid composite materials, such as carbon fiber reinforced polymer (CFRP) laminates. Computational models of ultrasonic wave excitation, propagation, and scattering in CFRP composites can be extremely valuable in designing practicable NDE and SHM hardware, software, and methodologies that accomplish the desired accuracy, reliability, efficiency, and coverage. The development and application of ultrasonic simulation approaches for composite materials is an active area of research in the field of NDE. This paper presents comparisons of guided wave simulations for CFRP composites implemented using four different simulation codes: the commercial finite element modeling (FEM) packages ABAQUS, ANSYS, and COMSOL, and a custom code executing the Elastodynamic Finite Integration Technique (EFIT). Benchmark comparisons are made between the simulation tools and both experimental laser Doppler vibrometry data and theoretical dispersion curves. A pristine and a delamination type case (Teflon insert in the experimental specimen) is studied. A summary is given of the accuracy of simulation results and the respective computational performance of the four different simulation tools. Published by Elsevier B.V.

Three Dimensional Transient Turbulent Simulations of Scramjet Fuel Injection and Combustion

NASA Astrophysics Data System (ADS)

Bahbaz, Marwane

2011-11-01

Scramjet is a propulsion system that is more effective for hypersonic flights (M >5). The main objective of the simulation is to understand both the mixing and combustion process of air flow using hydrogen fuel in high speed environment s. The understanding of this phenomenon is used to determine the number of fuel injectors required to increase combustion efficiency and energy transfer. Due to the complexity of this simulation, multiple software tools are used to achieve this objective. First, Solid works is used to draw a scramjet combustor with accurate measurements. Second software tool used is Gambit; It is used to make several types of meshes for the scramjet combustor. Finally, Open Foam and CFD++ are software used to process and post process the scramjet combustor. At this stage, the simulation is divided into two categories. The cold flow category is a series of simulations that include subsonic and supersonic turbulent air flow across the combustor channel with fuel interaction from one or more injectors'. The second category is the combustion simulations which involve fluid flow and fuel mixing with ignition. The simulation and modeling of scramjet combustor will assist to investigate and understand the combustion process and energy transfer in hypersonic environment.

Numerical investigation of optimized CZTSSe based solar cell in Wx-Amps environment

NASA Astrophysics Data System (ADS)

Mohanty, Soumya Priyadarshini; Padhy, Srinibasa; Chowdhury, Joy; Sing, Udai P.

2018-05-01

The CZTSSe is the modified version of CZTS with selenium infusion. It shows maximum efficiency in the band gap from 1 to 1.4 eV. In our present work CZTSSe based solar cell is investigated using Wx-Amps tool. The Mo layer, absorber layer, CdS layer, i-ZnO [4]and Al-ZnO layers with their electrical, optical and material parameters are fitted in the tool. The vital parameters such as carrier density, thickness of the CZTSSe absorber layer, operating temperature, CdS buffer layer thickness and its carrier density on the cell interpretation are calculated. From[4] the simulation results it is apparent that the optimal absorber layer varies from 2.9 µm to 3.7 µm. The temperature variation has a strong influence on the efficiency of the cell. An optimal efficiency of 22% (With Jsc=33 mA/cm2, Voc=0.98 V, and fill factor= 68%) are attained. These results will give some insight for makeing higher efficiency CZTSSe based solar cell.

Modeling Off-Nominal Recovery in NextGen Terminal-Area Operations

NASA Technical Reports Server (NTRS)

Callantine, Todd J.

2011-01-01

Robust schedule-based arrival management requires efficient recovery from off-nominal situations. This paper presents research on modeling off-nominal situations and plans for recovering from them using TRAC, a route/airspace design, fast-time simulation, and analysis tool for studying NextGen trajectory-based operations. The paper provides an overview of a schedule-based arrival-management concept and supporting controller tools, then describes TRAC implementations of methods for constructing off-nominal scenarios, generating trajectory options to meet scheduling constraints, and automatically producing recovery plans.

Simulating long-term effectiveness and efficiency of management scenarios for an invasive grass

USGS Publications Warehouse

Jarnevich, Catherine S.; Holcombe, Tracy R.; Cullinane Thomas, Catherine; Frid, Leonardo; Olsson, Aaryn D.

2015-01-01

Resource managers are often faced with trade-offs in allocating limited resources to manage plant invasions. These decisions must often be made with uncertainty about the location of infestations, their rate of spread and effectiveness of management actions. Landscape level simulation tools such as state-and-transition simulation models (STSMs) can be used to evaluate the potential long term consequences of alternative management strategies and help identify those strategies that make efficient use of resources. We analyzed alternative management scenarios for African buffelgrass (Pennisetum ciliare syn. Cenchrus ciliaris) at Ironwood Forest National Monument, Arizona using a spatially explicit STSM implemented in the Tool for Exploratory Landscape Scenario Analyses (TELSA). Buffelgrass is an invasive grass that is spreading rapidly in the Sonoran Desert, affecting multiple habitats and jurisdictions. This invasion is creating a novel fire risk and transforming natural ecosystems. The model used in this application incorporates buffelgrass dispersal and establishment and management actions and effectiveness including inventory, treatment and post-treatment maintenance. We simulated 11 alternative scenarios developed in consultation with buffelgrass managers and other stakeholders. The scenarios vary according to the total budget allocated for management and the allocation of that budget between different kinds of management actions. Scenario results suggest that to achieve an actual reduction and stabilization of buffelgrass populations, management unconstrained by fiscal restrictions and across all jurisdictions and private lands is required; without broad and aggressive management, buffelgrass populations are expected to increase over time. However, results also suggest that large upfront investments can achieve control results that require relatively minimal spending in the future. Investing the necessary funds upfront to control the invasion results in the most efficient use of resources to achieve lowest invaded acreage in the long-term.

An Accurate and Computationally Efficient Model for Membrane-Type Circular-Symmetric Micro-Hotplates

PubMed Central

Khan, Usman; Falconi, Christian

2014-01-01

Ideally, the design of high-performance micro-hotplates would require a large number of simulations because of the existence of many important design parameters as well as the possibly crucial effects of both spread and drift. However, the computational cost of FEM simulations, which are the only available tool for accurately predicting the temperature in micro-hotplates, is very high. As a result, micro-hotplate designers generally have no effective simulation-tools for the optimization. In order to circumvent these issues, here, we propose a model for practical circular-symmetric micro-hot-plates which takes advantage of modified Bessel functions, computationally efficient matrix-approach for considering the relevant boundary conditions, Taylor linearization for modeling the Joule heating and radiation losses, and external-region-segmentation strategy in order to accurately take into account radiation losses in the entire micro-hotplate. The proposed model is almost as accurate as FEM simulations and two to three orders of magnitude more computationally efficient (e.g., 45 s versus more than 8 h). The residual errors, which are mainly associated to the undesired heating in the electrical contacts, are small (e.g., few degrees Celsius for an 800 °C operating temperature) and, for important analyses, almost constant. Therefore, we also introduce a computationally-easy single-FEM-compensation strategy in order to reduce the residual errors to about 1 °C. As illustrative examples of the power of our approach, we report the systematic investigation of a spread in the membrane thermal conductivity and of combined variations of both ambient and bulk temperatures. Our model enables a much faster characterization of micro-hotplates and, thus, a much more effective optimization prior to fabrication. PMID:24763214

Pydna: a simulation and documentation tool for DNA assembly strategies using python.

PubMed

Pereira, Filipa; Azevedo, Flávio; Carvalho, Ângela; Ribeiro, Gabriela F; Budde, Mark W; Johansson, Björn

2015-05-02

Recent advances in synthetic biology have provided tools to efficiently construct complex DNA molecules which are an important part of many molecular biology and biotechnology projects. The planning of such constructs has traditionally been done manually using a DNA sequence editor which becomes error-prone as scale and complexity of the construction increase. A human-readable formal description of cloning and assembly strategies, which also allows for automatic computer simulation and verification, would therefore be a valuable tool. We have developed pydna, an extensible, free and open source Python library for simulating basic molecular biology DNA unit operations such as restriction digestion, ligation, PCR, primer design, Gibson assembly and homologous recombination. A cloning strategy expressed as a pydna script provides a description that is complete, unambiguous and stable. Execution of the script automatically yields the sequence of the final molecule(s) and that of any intermediate constructs. Pydna has been designed to be understandable for biologists with limited programming skills by providing interfaces that are semantically similar to the description of molecular biology unit operations found in literature. Pydna simplifies both the planning and sharing of cloning strategies and is especially useful for complex or combinatorial DNA molecule construction. An important difference compared to existing tools with similar goals is the use of Python instead of a specifically constructed language, providing a simulation environment that is more flexible and extensible by the user.

A spectral Poisson solver for kinetic plasma simulation

NASA Astrophysics Data System (ADS)

Szeremley, Daniel; Obberath, Jens; Brinkmann, Ralf

2011-10-01

Plasma resonance spectroscopy is a well established plasma diagnostic method, realized in several designs. One of these designs is the multipole resonance probe (MRP). In its idealized - geometrically simplified - version it consists of two dielectrically shielded, hemispherical electrodes to which an RF signal is applied. A numerical tool is under development which is capable of simulating the dynamics of the plasma surrounding the MRP in electrostatic approximation. In this contribution we concentrate on the specialized Poisson solver for that tool. The plasma is represented by an ensemble of point charges. By expanding both the charge density and the potential into spherical harmonics, a largely analytical solution of the Poisson problem can be employed. For a practical implementation, the expansion must be appropriately truncated. With this spectral solver we are able to efficiently solve the Poisson equation in a kinetic plasma simulation without the need of introducing a spatial discretization.

Validation of the SimSET simulation package for modeling the Siemens Biograph mCT PET scanner

NASA Astrophysics Data System (ADS)

Poon, Jonathan K.; Dahlbom, Magnus L.; Casey, Michael E.; Qi, Jinyi; Cherry, Simon R.; Badawi, Ramsey D.

2015-02-01

Monte Carlo simulation provides a valuable tool in performance assessment and optimization of system design parameters for PET scanners. SimSET is a popular Monte Carlo simulation toolkit that features fast simulation time, as well as variance reduction tools to further enhance computational efficiency. However, SimSET has lacked the ability to simulate block detectors until its most recent release. Our goal is to validate new features of SimSET by developing a simulation model of the Siemens Biograph mCT PET scanner and comparing the results to a simulation model developed in the GATE simulation suite and to experimental results. We used the NEMA NU-2 2007 scatter fraction, count rates, and spatial resolution protocols to validate the SimSET simulation model and its new features. The SimSET model overestimated the experimental results of the count rate tests by 11-23% and the spatial resolution test by 13-28%, which is comparable to previous validation studies of other PET scanners in the literature. The difference between the SimSET and GATE simulation was approximately 4-8% for the count rate test and approximately 3-11% for the spatial resolution test. In terms of computational time, SimSET performed simulations approximately 11 times faster than GATE simulations. The new block detector model in SimSET offers a fast and reasonably accurate simulation toolkit for PET imaging applications.

Numerical Model of Flame Spread Over Solids in Microgravity: A Supplementary Tool for Designing a Space Experiment

NASA Technical Reports Server (NTRS)

Shih, Hsin-Yi; Tien, James S.; Ferkul, Paul (Technical Monitor)

2001-01-01

The recently developed numerical model of concurrent-flow flame spread over thin solids has been used as a simulation tool to help the designs of a space experiment. The two-dimensional and three-dimensional, steady form of the compressible Navier-Stokes equations with chemical reactions are solved. With the coupled multi-dimensional solver of the radiative heat transfer, the model is capable of answering a number of questions regarding the experiment concept and the hardware designs. In this paper, the capabilities of the numerical model are demonstrated by providing the guidance for several experimental designing issues. The test matrix and operating conditions of the experiment are estimated through the modeling results. The three-dimensional calculations are made to simulate the flame-spreading experiment with realistic hardware configuration. The computed detailed flame structures provide the insight to the data collection. In addition, the heating load and the requirements of the product exhaust cleanup for the flow tunnel are estimated with the model. We anticipate that using this simulation tool will enable a more efficient and successful space experiment to be conducted.

DEVELOPMENTS IN GRworkbench

NASA Astrophysics Data System (ADS)

Moylan, Andrew; Scott, Susan M.; Searle, Anthony C.

2006-02-01

The software tool GRworkbench is an ongoing project in visual, numerical General Relativity at The Australian National University. Recently, GRworkbench has been significantly extended to facilitate numerical experimentation in analytically-defined space-times. The numerical differential geometric engine has been rewritten using functional programming techniques, enabling objects which are normally defined as functions in the formalism of differential geometry and General Relativity to be directly represented as function variables in the C++ code of GRworkbench. The new functional differential geometric engine allows for more accurate and efficient visualisation of objects in space-times and makes new, efficient computational techniques available. Motivated by the desire to investigate a recent scientific claim using GRworkbench, new tools for numerical experimentation have been implemented, allowing for the simulation of complex physical situations.

A Prolog Emulator

NASA Technical Reports Server (NTRS)

Tick, Evan

1987-01-01

This note describes an efficient software emulator for the Warren Abstract Machine (WAM) Prolog architecture. The version of the WAM implemented is called Lcode. The Lcode emulator, written in C, executes the 'naive reverse' benchmark at 3900 LIPS. The emulator is one of a set of tools used to measure the memory-referencing characteristics and performance of Prolog programs. These tools include a compiler, assembler, and memory simulators. An overview of the Lcode architecture is given here, followed by a description and listing of the emulator code implementing each Lcode instruction. This note will be of special interest to those studying the WAM and its performance characteristics. In general, this note will be of interest to those creating efficient software emulators for abstract machine architectures.

NONMEMory: a run management tool for NONMEM.

PubMed

Wilkins, Justin J

2005-06-01

NONMEM is an extremely powerful tool for nonlinear mixed-effect modelling and simulation of pharmacokinetic and pharmacodynamic data. However, it is a console-based application whose output does not lend itself to rapid interpretation or efficient management. NONMEMory has been created to be a comprehensive project manager for NONMEM, providing detailed summary, comparison and overview of the runs comprising a given project, including the display of output data, simple post-run processing, fast diagnostic plots and run output management, complementary to other available modelling aids. Analysis time ought not to be spent on trivial tasks, and NONMEMory's role is to eliminate these as far as possible by increasing the efficiency of the modelling process. NONMEMory is freely available from http://www.uct.ac.za/depts/pha/nonmemory.php.

Light extraction efficiency analysis of GaN-based light-emitting diodes with nanopatterned sapphire substrates.

PubMed

Pan, Jui-Wen; Tsai, Pei-Jung; Chang, Kao-Der; Chang, Yung-Yuan

2013-03-01

In this paper, we propose a method to analyze the light extraction efficiency (LEE) enhancement of a nanopatterned sapphire substrates (NPSS) light-emitting diode (LED) by comparing wave optics software with ray optics software. Finite-difference time-domain (FDTD) simulations represent the wave optics software and Light Tools (LTs) simulations represent the ray optics software. First, we find the trends of and an optimal solution for the LEE enhancement when the 2D-FDTD simulations are used to save on simulation time and computational memory. The rigorous coupled-wave analysis method is utilized to explain the trend we get from the 2D-FDTD algorithm. The optimal solution is then applied in 3D-FDTD and LTs simulations. The results are similar and the difference in LEE enhancement between the two simulations does not exceed 8.5% in the small LED chip area. More than 10(4) times computational memory is saved during the LTs simulation in comparison to the 3D-FDTD simulation. Moreover, LEE enhancement from the side of the LED can be obtained in the LTs simulation. An actual-size NPSS LED is simulated using the LTs. The results show a more than 307% improvement in the total LEE enhancement of the NPSS LED with the optimal solution compared to the conventional LED.

CMOST: an open-source framework for the microsimulation of colorectal cancer screening strategies.

PubMed

Prakash, Meher K; Lang, Brian; Heinrich, Henriette; Valli, Piero V; Bauerfeind, Peter; Sonnenberg, Amnon; Beerenwinkel, Niko; Misselwitz, Benjamin

2017-06-05

Colorectal cancer (CRC) is a leading cause of cancer-related mortality. CRC incidence and mortality can be reduced by several screening strategies, including colonoscopy, but randomized CRC prevention trials face significant obstacles such as the need for large study populations with long follow-up. Therefore, CRC screening strategies will likely be designed and optimized based on computer simulations. Several computational microsimulation tools have been reported for estimating efficiency and cost-effectiveness of CRC prevention. However, none of these tools is publicly available. There is a need for an open source framework to answer practical questions including testing of new screening interventions and adapting findings to local conditions. We developed and implemented a new microsimulation model, Colon Modeling Open Source Tool (CMOST), for modeling the natural history of CRC, simulating the effects of CRC screening interventions, and calculating the resulting costs. CMOST facilitates automated parameter calibration against epidemiological adenoma prevalence and CRC incidence data. Predictions of CMOST were highly similar compared to a large endoscopic CRC prevention study as well as predictions of existing microsimulation models. We applied CMOST to calculate the optimal timing of a screening colonoscopy. CRC incidence and mortality are reduced most efficiently by a colonoscopy between the ages of 56 and 59; while discounted life years gained (LYG) is maximal at 49-50 years. With a dwell time of 13 years, the most cost-effective screening is at 59 years, at $17,211 discounted USD per LYG. While cost-efficiency varied according to dwell time it did not influence the optimal time point of screening interventions within the tested range. Predictions of CMOST are highly similar compared to a randomized CRC prevention trial as well as those of other microsimulation tools. This open source tool will enable health-economics analyses in for various countries, health-care scenarios and CRC prevention strategies. CMOST is freely available under the GNU General Public License at https://gitlab.com/misselwb/CMOST.

Design and testing of coring bits on drilling lunar rock simulant

NASA Astrophysics Data System (ADS)

Li, Peng; Jiang, Shengyuan; Tang, Dewei; Xu, Bo; Ma, Chao; Zhang, Hui; Qin, Hongwei; Deng, Zongquan

2017-02-01

Coring bits are widely utilized in the sampling of celestial bodies, and their drilling behaviors directly affect the sampling results and drilling security. This paper introduces a lunar regolith coring bit (LRCB), which is a key component of sampling tools for lunar rock breaking during the lunar soil sampling process. We establish the interaction model between the drill bit and rock at a small cutting depth, and the two main influential parameters (forward and outward rake angles) of LRCB on drilling loads are determined. We perform the parameter screening task of LRCB with the aim to minimize the weight on bit (WOB). We verify the drilling load performances of LRCB after optimization, and the higher penetrations per revolution (PPR) are, the larger drilling loads we gained. Besides, we perform lunar soil drilling simulations to estimate the efficiency on chip conveying and sample coring of LRCB. The results of the simulation and test are basically consistent on coring efficiency, and the chip removal efficiency of LRCB is slightly lower than HIT-H bit from simulation. This work proposes a method for the design of coring bits in subsequent extraterrestrial explorations.

Simulation of silicon thin-film solar cells for oblique incident waves

NASA Astrophysics Data System (ADS)

Jandl, Christine; Hertel, Kai; Pflaum, Christoph; Stiebig, Helmut

2011-05-01

To optimize the quantum efficiency (QE) and short-circuit current density (JSC) of silicon thin-film solar cells, one has to study the behavior of sunlight in these solar cells. Simulations are an adequate and economic method to analyze the optical properties of light caused by absorption and reflection. To this end a simulation tool is developed to take several demands into account. These include the analysis of perpendicular and oblique incident waves under E-, H- and circularly polarized light. Furthermore, the topology of the nanotextured interfaces influences the efficiency and therefore also the short-circuit current density. It is well known that a rough transparent conductive oxide (TCO) layer increases the efficiency of solar cells. Therefore, it is indispensable that various roughness profiles at the interfaces of the solar cell layers can be modeled in such a way that atomic force microscope (AFM) scan data can be integrated. Numerical calculations of Maxwell's equations based on the finite integration technique (FIT) and Finite Difference Time Domain (FDTD) method are necessary to incorporate all these requirements. The simulations are performed in parallel on high performance computers (HPC) to meet the large computational requirements.

Optimum spaceborne computer system design by simulation

NASA Technical Reports Server (NTRS)

Williams, T.; Kerner, H.; Weatherbee, J. E.; Taylor, D. S.; Hodges, B.

1973-01-01

A deterministic simulator is described which models the Automatically Reconfigurable Modular Multiprocessor System (ARMMS), a candidate computer system for future manned and unmanned space missions. Its use as a tool to study and determine the minimum computer system configuration necessary to satisfy the on-board computational requirements of a typical mission is presented. The paper describes how the computer system configuration is determined in order to satisfy the data processing demand of the various shuttle booster subsytems. The configuration which is developed as a result of studies with the simulator is optimal with respect to the efficient use of computer system resources.

Evaluation and utilization of beam simulation codes for the SNS ion source and low energy beam transport developmenta)

NASA Astrophysics Data System (ADS)

Han, B. X.; Welton, R. F.; Stockli, M. P.; Luciano, N. P.; Carmichael, J. R.

2008-02-01

Beam simulation codes PBGUNS, SIMION, and LORENTZ-3D were evaluated by modeling the well-diagnosed SNS base line ion source and low energy beam transport (LEBT) system. Then, an investigation was conducted using these codes to assist our ion source and LEBT development effort which is directed at meeting the SNS operational and also the power-upgrade project goals. A high-efficiency H- extraction system as well as magnetic and electrostatic LEBT configurations capable of transporting up to 100mA is studied using these simulation tools.

Modelling and simulation of wood chip combustion in a hot air generator system.

PubMed

Rajika, J K A T; Narayana, Mahinsasa

2016-01-01

This study focuses on modelling and simulation of horizontal moving bed/grate wood chip combustor. A standalone finite volume based 2-D steady state Euler-Euler Computational Fluid Dynamics (CFD) model was developed for packed bed combustion. Packed bed combustion of a medium scale biomass combustor, which was retrofitted from wood log to wood chip feeding for Tea drying in Sri Lanka, was evaluated by a CFD simulation study. The model was validated by the experimental results of an industrial biomass combustor for a hot air generation system in tea industry. Open-source CFD tool; OpenFOAM was used to generate CFD model source code for the packed bed combustion and simulated along with an available solver for free board region modelling in the CFD tool. Height of the packed bed is about 20 cm and biomass particles are assumed to be spherical shape with constant surface area to volume ratio. Temperature measurements of the combustor are well agreed with simulation results while gas phase compositions have discrepancies. Combustion efficiency of the validated hot air generator is around 52.2 %.

BioNetSim: a Petri net-based modeling tool for simulations of biochemical processes.

PubMed

Gao, Junhui; Li, Li; Wu, Xiaolin; Wei, Dong-Qing

2012-03-01

BioNetSim, a Petri net-based software for modeling and simulating biochemistry processes, is developed, whose design and implement are presented in this paper, including logic construction, real-time access to KEGG (Kyoto Encyclopedia of Genes and Genomes), and BioModel database. Furthermore, glycolysis is simulated as an example of its application. BioNetSim is a helpful tool for researchers to download data, model biological network, and simulate complicated biochemistry processes. Gene regulatory networks, metabolic pathways, signaling pathways, and kinetics of cell interaction are all available in BioNetSim, which makes modeling more efficient and effective. Similar to other Petri net-based softwares, BioNetSim does well in graphic application and mathematic construction. Moreover, it shows several powerful predominances. (1) It creates models in database. (2) It realizes the real-time access to KEGG and BioModel and transfers data to Petri net. (3) It provides qualitative analysis, such as computation of constants. (4) It generates graphs for tracing the concentration of every molecule during the simulation processes.

Absolute efficiency calibration of 6LiF-based solid state thermal neutron detectors

NASA Astrophysics Data System (ADS)

Finocchiaro, Paolo; Cosentino, Luigi; Lo Meo, Sergio; Nolte, Ralf; Radeck, Desiree

2018-03-01

The demand for new thermal neutron detectors as an alternative to 3He tubes in research, industrial, safety and homeland security applications, is growing. These needs have triggered research and development activities about new generations of thermal neutron detectors, characterized by reasonable efficiency and gamma rejection comparable to 3He tubes. In this paper we show the state of the art of a promising low-cost technique, based on commercial solid state silicon detectors coupled with thin neutron converter layers of 6LiF deposited onto carbon fiber substrates. A few configurations were studied with the GEANT4 simulation code, and the intrinsic efficiency of the corresponding detectors was calibrated at the PTB Thermal Neutron Calibration Facility. The results show that the measured intrinsic detection efficiency is well reproduced by the simulations, therefore validating the simulation tool in view of new designs. These neutron detectors have also been tested at neutron beam facilities like ISIS (Rutherford Appleton Laboratory, UK) and n_TOF (CERN) where a few samples are already in operation for beam flux and 2D profile measurements. Forthcoming applications are foreseen for the online monitoring of spent nuclear fuel casks in interim storage sites.

Automated Extraction of Flow Features

NASA Technical Reports Server (NTRS)

Dorney, Suzanne (Technical Monitor); Haimes, Robert

2005-01-01

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, re-circulation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; isc-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Automated Extraction of Flow Features

NASA Technical Reports Server (NTRS)

Dorney, Suzanne (Technical Monitor); Haimes, Robert

2004-01-01

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, recirculation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; iso-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for (co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

CFD simulation of copper(II) extraction with TFA in non-dispersive hollow fiber membrane contactors.

PubMed

Muhammad, Amir; Younas, Mohammad; Rezakazemi, Mashallah

2018-04-01

This study presents computational fluid dynamics (CFD) simulation of dispersion-free liquid-liquid extraction of copper(II) with trifluoroacetylacetone (TFA) in hollow fiber membrane contactor (HFMC). Mass and momentum balance Navier-Stokes equations were coupled to address the transport of copper(II) solute across membrane contactor. Model equations were simulated using COMSOL Multiphysics™. The simulation was run to study the detailed concentration distribution of copper(II) and to investigate the effects of various parameters like membrane characteristics, partition coefficient, and flow configuration on extraction efficiency. Once-through extraction was found to be increased from 10 to 100% when partition coefficient was raised from 1 to 10. Similarly, the extraction efficiency was almost doubled when porosity to tortuosity ratio of membrane was increased from 0.05 to 0.81. Furthermore, the study revealed that CFD can be used as an effective optimization tool for the development of economical membrane-based dispersion-free extraction processes.

Subtle Monte Carlo Updates in Dense Molecular Systems.

PubMed

Bottaro, Sandro; Boomsma, Wouter; E Johansson, Kristoffer; Andreetta, Christian; Hamelryck, Thomas; Ferkinghoff-Borg, Jesper

2012-02-14

Although Markov chain Monte Carlo (MC) simulation is a potentially powerful approach for exploring conformational space, it has been unable to compete with molecular dynamics (MD) in the analysis of high density structural states, such as the native state of globular proteins. Here, we introduce a kinetic algorithm, CRISP, that greatly enhances the sampling efficiency in all-atom MC simulations of dense systems. The algorithm is based on an exact analytical solution to the classic chain-closure problem, making it possible to express the interdependencies among degrees of freedom in the molecule as correlations in a multivariate Gaussian distribution. We demonstrate that our method reproduces structural variation in proteins with greater efficiency than current state-of-the-art Monte Carlo methods and has real-time simulation performance on par with molecular dynamics simulations. The presented results suggest our method as a valuable tool in the study of molecules in atomic detail, offering a potential alternative to molecular dynamics for probing long time-scale conformational transitions.

NASA and CFD - Making investments for the future

NASA Technical Reports Server (NTRS)

Hessenius, Kristin A.; Richardson, P. F.

1992-01-01

From a NASA perspective, CFD is a new tool for fluid flow simulation and prediction with virtually none of the inherent limitations of other ground-based simulation techniques. A primary goal of NASA's CFD research program is to develop efficient and accurate computational techniques for utilization in the design and analysis of aerospace vehicles. The program in algorithm development has systematically progressed through the hierarchy of engineering simplifications of the Navier-Stokes equations, starting with the inviscid formulations such as transonic small disturbance, full potential, and Euler.

Numerical simulation of deformation and failure processes of a complex technical object under impact loading

NASA Astrophysics Data System (ADS)

Kraus, E. I.; Shabalin, I. I.; Shabalin, T. I.

2018-04-01

The main points of development of numerical tools for simulation of deformation and failure of complex technical objects under nonstationary conditions of extreme loading are presented. The possibility of extending the dynamic method for construction of difference grids to the 3D case is shown. A 3D realization of discrete-continuum approach to the deformation and failure of complex technical objects is carried out. The efficiency of the existing software package for 3D modelling is shown.

Breakthrough: NETL's Simulation-Based Engineering User Center (SBEUC)

ScienceCinema

Guenther, Chris

2018-05-23

The National Energy Technology Laboratory relies on supercomputers to develop many novel ideas that become tomorrow's energy solutions. Supercomputers provide a cost-effective, efficient platform for research and usher technologies into widespread use faster to bring benefits to the nation. In 2013, Secretary of Energy Dr. Ernest Moniz dedicated NETL's new supercomputer, the Simulation Based Engineering User Center, or SBEUC. The SBEUC is dedicated to fossil energy research and is a collaborative tool for all of NETL and our regional university partners.

Organization and use of a Software/Hardware Avionics Research Program (SHARP)

NASA Technical Reports Server (NTRS)

Karmarkar, J. S.; Kareemi, M. N.

1975-01-01

The organization and use is described of the software/hardware avionics research program (SHARP) developed to duplicate the automatic portion of the STOLAND simulator system, on a general-purpose computer system (i.e., IBM 360). The program's uses are: (1) to conduct comparative evaluation studies of current and proposed airborne and ground system concepts via single run or Monte Carlo simulation techniques, and (2) to provide a software tool for efficient algorithm evaluation and development for the STOLAND avionics computer.

Breakthrough: NETL's Simulation-Based Engineering User Center (SBEUC)

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

Guenther, Chris

The National Energy Technology Laboratory relies on supercomputers to develop many novel ideas that become tomorrow's energy solutions. Supercomputers provide a cost-effective, efficient platform for research and usher technologies into widespread use faster to bring benefits to the nation. In 2013, Secretary of Energy Dr. Ernest Moniz dedicated NETL's new supercomputer, the Simulation Based Engineering User Center, or SBEUC. The SBEUC is dedicated to fossil energy research and is a collaborative tool for all of NETL and our regional university partners.

A spatial DB model to simulate the road network efficiency in hydrogeological emergency

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

Michele, Mangiameli, E-mail: michele.mangiameli@dica.unict.it; Giuseppe, Mussumeci

We deal with the theme of the simulation of risk analysis using a technological approach based on the integration of exclusively free and open source tools: PostgreSQL as Database Management System (DBMS) and Quantum GIS-GRASS as Geographic Information System (GIS) platform. The case study is represented by a seismic land in Sicily characterized by steep slopes and frequent instability phenomena. This area includes a city of about 30.000 inhabitants (Enna) that lies on the top of a mountain at about 990 m a.s.l.. The access to the city is assured by few and very winding roads that are also highly vulnerablemore » to seismic and hydrogeological hazards. When exceptional rainfall events occur, the loss of efficiency of these roads should compromise timeliness and effectiveness of rescue operations. The data of the sample area have been structured into the adopted DBMS, and the connection to the GIS functionalities allows simulating the exceptional events. We analyzed the hazard, vulnerability and exposure related to these events and calculated the final risk defining three classes for each scenario: low (L), medium (M) and high (H). This study can be a valuable tool to prioritize risk levels and set priorities for intervention to the main road networks.« less

The modelling of odour dispersion as a support tool for the improvements of high odours impact plants.

PubMed

Luciano, Antonella; Torretta, Vincenzo; Mancini, Giuseppe; Eleuteri, Andrea; Raboni, Massimo; Viotti, Paolo

2017-03-01

Two scenarios in terms of odour impact assessment were studied during the phase of upgrading of an existing waste treatment plant: CALPUFF was used for the simulation of odour dispersion. Olfactometric measures, carried out over different periods and different positions in the plant, were used for model calibration. Results from simulations were reported in terms of statistics of odour concentrations and isopleths maps of the 98th percentile of the hourly peak concentrations, as requested from the European legislation and standards. The excess perception thresholds and emissions were utilized to address the plant upgrade options. The hourly evaluation of odours was performed to determine the most impacting period of the day. An inverse application of the numerical simulation starting from defining the odour threshold at the receptor was made to allow the definition of the required abatement efficiency at the odours source location. Results from the proposed approach confirmed the likelihood to adopt odour dispersion modelling, not only in the authorization phase, but also as a tool for driving technical and managing actions in plant upgrade so to reduce impacts and improve the public acceptance. The upgrade actions in order to achieve the expected efficiency are reported as well.

A spatial DB model to simulate the road network efficiency in hydrogeological emergency

NASA Astrophysics Data System (ADS)

Michele, Mangiameli; Giuseppe, Mussumeci

2015-12-01

We deal with the theme of the simulation of risk analysis using a technological approach based on the integration of exclusively free and open source tools: PostgreSQL as Database Management System (DBMS) and Quantum GIS-GRASS as Geographic Information System (GIS) platform. The case study is represented by a seismic land in Sicily characterized by steep slopes and frequent instability phenomena. This area includes a city of about 30.000 inhabitants (Enna) that lies on the top of a mountain at about 990 m a.s.l.. The access to the city is assured by few and very winding roads that are also highly vulnerable to seismic and hydrogeological hazards. When exceptional rainfall events occur, the loss of efficiency of these roads should compromise timeliness and effectiveness of rescue operations. The data of the sample area have been structured into the adopted DBMS, and the connection to the GIS functionalities allows simulating the exceptional events. We analyzed the hazard, vulnerability and exposure related to these events and calculated the final risk defining three classes for each scenario: low (L), medium (M) and high (H). This study can be a valuable tool to prioritize risk levels and set priorities for intervention to the main road networks..

Probabilistic power flow using improved Monte Carlo simulation method with correlated wind sources

NASA Astrophysics Data System (ADS)

Bie, Pei; Zhang, Buhan; Li, Hang; Deng, Weisi; Wu, Jiasi

2017-01-01

Probabilistic Power Flow (PPF) is a very useful tool for power system steady-state analysis. However, the correlation among different random injection power (like wind power) brings great difficulties to calculate PPF. Monte Carlo simulation (MCS) and analytical methods are two commonly used methods to solve PPF. MCS has high accuracy but is very time consuming. Analytical method like cumulants method (CM) has high computing efficiency but the cumulants calculating is not convenient when wind power output does not obey any typical distribution, especially when correlated wind sources are considered. In this paper, an Improved Monte Carlo simulation method (IMCS) is proposed. The joint empirical distribution is applied to model different wind power output. This method combines the advantages of both MCS and analytical method. It not only has high computing efficiency, but also can provide solutions with enough accuracy, which is very suitable for on-line analysis.

A frequency dependent preconditioned wavelet method for atmospheric tomography

NASA Astrophysics Data System (ADS)

Yudytskiy, Mykhaylo; Helin, Tapio; Ramlau, Ronny

2013-12-01

Atmospheric tomography, i.e. the reconstruction of the turbulence in the atmosphere, is a main task for the adaptive optics systems of the next generation telescopes. For extremely large telescopes, such as the European Extremely Large Telescope, this problem becomes overly complex and an efficient algorithm is needed to reduce numerical costs. Recently, a conjugate gradient method based on wavelet parametrization of turbulence layers was introduced [5]. An iterative algorithm can only be numerically efficient when the number of iterations required for a sufficient reconstruction is low. A way to achieve this is to design an efficient preconditioner. In this paper we propose a new frequency-dependent preconditioner for the wavelet method. In the context of a multi conjugate adaptive optics (MCAO) system simulated on the official end-to-end simulation tool OCTOPUS of the European Southern Observatory we demonstrate robustness and speed of the preconditioned algorithm. We show that three iterations are sufficient for a good reconstruction.

Hybrid photonic-plasmonic near-field probe for efficient light conversion into the nanoscale hot spot.

PubMed

Koshelev, Alexander; Munechika, Keiko; Cabrini, Stefano

2017-11-01

In this Letter, we present a design and simulations of the novel hybrid photonic-plasmonic near-field probe. Near-field optics is a unique imaging tool that provides optical images with resolution down to tens of nanometers. One of the main limitations of this technology is its low light sensitivity. The presented hybrid probe solves this problem by combining a campanile plasmonic probe with the photonic layer, consisting of the diffractive optic element (DOE). The DOE is designed to match the plasmonic field at the broad side of the campanile probe with the fiber mode. This makes it possible to optimize the size of the campanile tip to convert light efficiently into the hot spot. The simulations show that the hybrid probe is ∼540 times more efficient compared with the conventional campanile on average in the 600-900 nm spectral range.

FASTSim: A Model to Estimate Vehicle Efficiency, Cost and Performance

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

Brooker, A.; Gonder, J.; Wang, L.

2015-05-04

The Future Automotive Systems Technology Simulator (FASTSim) is a high-level advanced vehicle powertrain systems analysis tool supported by the U.S. Department of Energy’s Vehicle Technologies Office. FASTSim provides a quick and simple approach to compare powertrains and estimate the impact of technology improvements on light- and heavy-duty vehicle efficiency, performance, cost, and battery batches of real-world drive cycles. FASTSim’s calculation framework and balance among detail, accuracy, and speed enable it to simulate thousands of driven miles in minutes. The key components and vehicle outputs have been validated by comparing the model outputs to test data for many different vehicles tomore » provide confidence in the results. A graphical user interface makes FASTSim easy and efficient to use. FASTSim is freely available for download from the National Renewable Energy Laboratory’s website (see www.nrel.gov/fastsim).« less

Visiting Scholars Program

DTIC Science & Technology

2016-09-01

other associated grants. 15. SUBJECT TERMS SUNY Poly, STEM, Artificial Intelligence , Command and Control 16. SECURITY CLASSIFICATION OF: 17...neuromorphic system has the potential to be widely used in a high-efficiency artificial intelligence system. Simulation results have indicated that the...novel multiresolution fusion and advanced fusion performance evaluation tool for an Artificial Intelligence based natural language annotation engine for

Two reduced form air quality modeling techniques for rapidly calculating pollutant mitigation potential across many sources, locations and precursor emission types

EPA Science Inventory

Due to the computational cost of running regional-scale numerical air quality models, reduced form models (RFM) have been proposed as computationally efficient simulation tools for characterizing the pollutant response to many different types of emission reductions. The U.S. Envi...

Discrete event simulation for healthcare organizations: a tool for decision making.

PubMed

Hamrock, Eric; Paige, Kerrie; Parks, Jennifer; Scheulen, James; Levin, Scott

2013-01-01

Healthcare organizations face challenges in efficiently accommodating increased patient demand with limited resources and capacity. The modern reimbursement environment prioritizes the maximization of operational efficiency and the reduction of unnecessary costs (i.e., waste) while maintaining or improving quality. As healthcare organizations adapt, significant pressures are placed on leaders to make difficult operational and budgetary decisions. In lieu of hard data, decision makers often base these decisions on subjective information. Discrete event simulation (DES), a computerized method of imitating the operation of a real-world system (e.g., healthcare delivery facility) over time, can provide decision makers with an evidence-based tool to develop and objectively vet operational solutions prior to implementation. DES in healthcare commonly focuses on (1) improving patient flow, (2) managing bed capacity, (3) scheduling staff, (4) managing patient admission and scheduling procedures, and (5) using ancillary resources (e.g., labs, pharmacies). This article describes applicable scenarios, outlines DES concepts, and describes the steps required for development. An original DES model developed to examine crowding and patient flow for staffing decision making at an urban academic emergency department serves as a practical example.

Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.

PubMed

Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

2016-07-01

This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

STOCHSIMGPU: parallel stochastic simulation for the Systems Biology Toolbox 2 for MATLAB.

PubMed

Klingbeil, Guido; Erban, Radek; Giles, Mike; Maini, Philip K

2011-04-15

The importance of stochasticity in biological systems is becoming increasingly recognized and the computational cost of biologically realistic stochastic simulations urgently requires development of efficient software. We present a new software tool STOCHSIMGPU that exploits graphics processing units (GPUs) for parallel stochastic simulations of biological/chemical reaction systems and show that significant gains in efficiency can be made. It is integrated into MATLAB and works with the Systems Biology Toolbox 2 (SBTOOLBOX2) for MATLAB. The GPU-based parallel implementation of the Gillespie stochastic simulation algorithm (SSA), the logarithmic direct method (LDM) and the next reaction method (NRM) is approximately 85 times faster than the sequential implementation of the NRM on a central processing unit (CPU). Using our software does not require any changes to the user's models, since it acts as a direct replacement of the stochastic simulation software of the SBTOOLBOX2. The software is open source under the GPL v3 and available at http://www.maths.ox.ac.uk/cmb/STOCHSIMGPU. The web site also contains supplementary information. klingbeil@maths.ox.ac.uk Supplementary data are available at Bioinformatics online.

Comparison of simulated and measured spectra from an X-ray tube for the energies between 20 and 35 keV

NASA Astrophysics Data System (ADS)

Yücel, M.; Emirhan, E.; Bayrak, A.; Ozben, C. S.; Yücel, E. Barlas

2015-11-01

Design and production of a simple and low cost X-ray imaging system that can be used for light industrial applications was targeted in the Nuclear Physics Laboratory of Istanbul Technical University. In this study, production, transmission and detection of X-rays were simulated for the proposed imaging device. OX/70-P dental tube was used and X-ray spectra simulated by Geant4 were validated by comparison with X-ray spectra measured between 20 and 35 keV. Relative detection efficiency of the detector was also determined to confirm the physics processes used in the simulations. Various time optimization tools were performed to reduce the simulation time.

Review of hardware-in-the-loop simulation and its prospects in the automotive area

NASA Astrophysics Data System (ADS)

Fathy, Hosam K.; Filipi, Zoran S.; Hagena, Jonathan; Stein, Jeffrey L.

2006-05-01

Hardware-in-the-loop (HIL) simulation is rapidly evolving from a control prototyping tool to a system modeling, simulation, and synthesis paradigm synergistically combining many advantages of both physical and virtual prototyping. This paper provides a brief overview of the key enablers and numerous applications of HIL simulation, focusing on its metamorphosis from a control validation tool into a system development paradigm. It then describes a state-of-the art engine-in-the-loop (EIL) simulation facility that highlights the use of HIL simulation for the system-level experimental evaluation of powertrain interactions and development of strategies for clean and efficient propulsion. The facility comprises a real diesel engine coupled to accurate real-time driver, driveline, and vehicle models through a highly responsive dynamometer. This enables the verification of both performance and fuel economy predictions of different conventional and hybrid powertrains. Furthermore, the facility can both replicate the highly dynamic interactions occurring within a real powertrain and measure their influence on transient emissions and visual signature through state-of-the-art instruments. The viability of this facility for integrated powertrain system development is demonstrated through a case study exploring the development of advanced High Mobility Multipurpose Wheeled Vehicle (HMMWV) powertrains.

Research Needs and Impacts in Predictive Simulation for Internal Combustion Engines (PreSICE)

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

Eckerle, Wayne; Rutland, Chris; Rohlfing, Eric

This report is based on a SC/EERE Workshop to Identify Research Needs and Impacts in Predictive Simulation for Internal Combustion Engines (PreSICE), held March 3, 2011, to determine strategic focus areas that will accelerate innovation in engine design to meet national goals in transportation efficiency. The U.S. has reached a pivotal moment when pressures of energy security, climate change, and economic competitiveness converge. Oil prices remain volatile and have exceeded $100 per barrel twice in five years. At these prices, the U.S. spends $1 billion per day on imported oil to meet our energy demands. Because the transportation sector accountsmore » for two-thirds of our petroleum use, energy security is deeply entangled with our transportation needs. At the same time, transportation produces one-quarter of the nation’s carbon dioxide output. Increasing the efficiency of internal combustion engines is a technologically proven and cost-effective approach to dramatically improving the fuel economy of the nation’s fleet of vehicles in the near- to mid-term, with the corresponding benefits of reducing our dependence on foreign oil and reducing carbon emissions. Because of their relatively low cost, high performance, and ability to utilize renewable fuels, internal combustion engines—including those in hybrid vehicles—will continue to be critical to our transportation infrastructure for decades. Achievable advances in engine technology can improve the fuel economy of automobiles by over 50% and trucks by over 30%. Achieving these goals will require the transportation sector to compress its product development cycle for cleaner, more efficient engine technologies by 50% while simultaneously exploring innovative design space. Concurrently, fuels will also be evolving, adding another layer of complexity and further highlighting the need for efficient product development cycles. Current design processes, using “build and test” prototype engineering, will not suffice. Current market penetration of new engine technologies is simply too slow—it must be dramatically accelerated. These challenges present a unique opportunity to marshal U.S. leadership in science-based simulation to develop predictive computational design tools for use by the transportation industry. The use of predictive simulation tools for enhancing combustion engine performance will shrink engine development timescales, accelerate time to market, and reduce development costs, while ensuring the timely achievement of energy security and emissions targets and enhancing U.S. industrial competitiveness. In 2007 Cummins achieved a milestone in engine design by bringing a diesel engine to market solely with computer modeling and analysis tools. The only testing was after the fact to confirm performance. Cummins achieved a reduction in development time and cost. As important, they realized a more robust design, improved fuel economy, and met all environmental and customer constraints. This important first step demonstrates the potential for computational engine design. But, the daunting complexity of engine combustion and the revolutionary increases in efficiency needed require the development of simulation codes and computation platforms far more advanced than those available today. Based on these needs, a Workshop to Identify Research Needs and Impacts in Predictive Simulation for Internal Combustion Engines (PreSICE) convened over 60 U.S. leaders in the engine combustion field from industry, academia, and national laboratories to focus on two critical areas of advanced simulation, as identified by the U.S. automotive and engine industries. First, modern engines require precise control of the injection of a broad variety of fuels that is far more subtle than achievable to date and that can be obtained only through predictive modeling and simulation. Second, the simulation, understanding, and control of these stochastic in-cylinder combustion processes lie on the critical path to realizing more efficient engines with greater power density. Fuel sprays set the initial conditions for combustion in essentially all future transportation engines; yet today designers primarily use empirical methods that limit the efficiency achievable. Three primary spray topics were identified as focus areas in the workshop: The fuel delivery system, which includes fuel manifolds and internal injector flow, The multi-phase fuel–air mixing in the combustion chamber of the engine, and The heat transfer and fluid interactions with cylinder walls. Current understanding and modeling capability of stochastic processes in engines remains limited and prevents designers from achieving significantly higher fuel economy. To improve this situation, the workshop participants identified three focus areas for stochastic processes: Improve fundamental understanding that will help to establish and characterize the physical causes of stochastic events, Develop physics-based simulation models that are accurate and sensitive enough to capture performance-limiting variability, and Quantify and manage uncertainty in model parameters and boundary conditions. Improved models and understanding in these areas will allow designers to develop engines with reduced design margins and that operate reliably in more efficient regimes. All of these areas require improved basic understanding, high-fidelity model development, and rigorous model validation. These advances will greatly reduce the uncertainties in current models and improve understanding of sprays and fuel–air mixture preparation that limit the investigation and development of advanced combustion technologies. The two strategic focus areas have distinctive characteristics but are inherently coupled. Coordinated activities in basic experiments, fundamental simulations, and engineering-level model development and validation can be used to successfully address all of the topics identified in the PreSICE workshop. The outcome will be: New and deeper understanding of the relevant fundamental physical and chemical processes in advanced combustion technologies, Implementation of this understanding into models and simulation tools appropriate for both exploration and design, and Sufficient validation with uncertainty quantification to provide confidence in the simulation results. These outcomes will provide the design tools for industry to reduce development time by up to 30% and improve engine efficiencies by 30% to 50%. The improved efficiencies applied to the national mix of transportation applications have the potential to save over 5 million barrels of oil per day, a current cost savings of $500 million per day.« less

Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling.

PubMed

Rauscher, Sarah; Neale, Chris; Pomès, Régis

2009-10-13

Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in temperature leads to a corresponding random walk in potential energy, which can be used to cross over energetic barriers and overcome the problem of quasi-nonergodicity. In this paper, we introduce two novel methods: simulated tempering distributed replica sampling (STDR) and virtual replica exchange (VREX). These methods are designed to address the practical issues inherent in the replica exchange (RE), simulated tempering (ST), and serial replica exchange (SREM) algorithms. RE requires a large, dedicated, and homogeneous cluster of CPUs to function efficiently when applied to complex systems. ST and SREM both have the drawback of requiring extensive initial simulations, possibly adaptive, for the calculation of weight factors or potential energy distribution functions. STDR and VREX alleviate the need for lengthy initial simulations, and for synchronization and extensive communication between replicas. Both methods are therefore suitable for distributed or heterogeneous computing platforms. We perform an objective comparison of all five algorithms in terms of both implementation issues and sampling efficiency. We use disordered peptides in explicit water as test systems, for a total simulation time of over 42 μs. Efficiency is defined in terms of both structural convergence and temperature diffusion, and we show that these definitions of efficiency are in fact correlated. Importantly, we find that ST-based methods exhibit faster temperature diffusion and correspondingly faster convergence of structural properties compared to RE-based methods. Within the RE-based methods, VREX is superior to both SREM and RE. On the basis of our observations, we conclude that ST is ideal for simple systems, while STDR is well-suited for complex systems.

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets.

PubMed

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H; Elias, Jeff; Pauly, Kim Butts

2016-09-01

In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. The simulated skull efficiency using individual-specific heterogeneous models predicts well (R(2) = 0.84) the experimental energy efficiency. This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

PubMed Central

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H.; Elias, Jeff; Pauly, Kim Butts

2016-01-01

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R2 = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible. PMID:27587047

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

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

Vyas, Urvi, E-mail: urvi.vyas@gmail.com; Ghanouni,

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen humanmore » subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R{sup 2} = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.« less

Cost efficiency of the non-associative flow rule simulation of an industrial component

NASA Astrophysics Data System (ADS)

Galdos, Lander; de Argandoña, Eneko Saenz; Mendiguren, Joseba

2017-10-01

In the last decade, metal forming industry is becoming more and more competitive. In this context, the FEM modeling has become a primary tool of information for the component and process design. Numerous researchers have been focused on improving the accuracy of the material models implemented on the FEM in order to improve the efficiency of the simulations. Aimed at increasing the efficiency of the anisotropic behavior modelling, in the last years the use of non-associative flow rule models (NAFR) has been presented as an alternative to the classic associative flow rule models (AFR). In this work, the cost efficiency of the used flow rule model has been numerically analyzed by simulating an industrial drawing operation with two different models of the same degree of flexibility: one AFR model and one NAFR model. From the present study, it has been concluded that the flow rule has a negligible influence on the final drawing prediction; this is mainly driven by the model parameter identification procedure. Even though the NAFR formulation is complex when compared to the AFR, the present study shows that the total simulation time while using explicit FE solvers has been reduced without loss of accuracy. Furthermore, NAFR formulations have an advantage over AFR formulations in parameter identification because the formulation decouples the yield stress and the Lankford coefficients.

SCALING AN URBAN EMERGENCY EVACUATION FRAMEWORK: CHALLENGES AND PRACTICES

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

Karthik, Rajasekar; Lu, Wei

2014-01-01

Critical infrastructure disruption, caused by severe weather events, natural disasters, terrorist attacks, etc., has significant impacts on urban transportation systems. We built a computational framework to simulate urban transportation systems under critical infrastructure disruption in order to aid real-time emergency evacuation. This framework will use large scale datasets to provide a scalable tool for emergency planning and management. Our framework, World-Wide Emergency Evacuation (WWEE), integrates population distribution and urban infrastructure networks to model travel demand in emergency situations at global level. Also, a computational model of agent-based traffic simulation is used to provide an optimal evacuation plan for traffic operationmore » purpose [1]. In addition, our framework provides a web-based high resolution visualization tool for emergency evacuation modelers and practitioners. We have successfully tested our framework with scenarios in both United States (Alexandria, VA) and Europe (Berlin, Germany) [2]. However, there are still some major drawbacks for scaling this framework to handle big data workloads in real time. On our back-end, lack of proper infrastructure limits us in ability to process large amounts of data, run the simulation efficiently and quickly, and provide fast retrieval and serving of data. On the front-end, the visualization performance of microscopic evacuation results is still not efficient enough due to high volume data communication between server and client. We are addressing these drawbacks by using cloud computing and next-generation web technologies, namely Node.js, NoSQL, WebGL, Open Layers 3 and HTML5 technologies. We will describe briefly about each one and how we are using and leveraging these technologies to provide an efficient tool for emergency management organizations. Our early experimentation demonstrates that using above technologies is a promising approach to build a scalable and high performance urban emergency evacuation framework that can improve traffic mobility and safety under critical infrastructure disruption in today s socially connected world.« less

WE-H-BRC-04: Implement Lean Methodology to Make Our Current Process of CT Simulation to Treatment More Efficient

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

Boddu, S; Morrow, A; Krishnamurthy, N

Purpose: Our goal is to implement lean methodology to make our current process of CT simulation to treatment more efficient. Methods: In this study, we implemented lean methodology and tools and employed flowchart in excel for process-mapping. We formed a group of physicians, physicists, dosimetrists, therapists and a clinical physics assistant and huddled bi-weekly to map current value streams. We performed GEMBA walks and observed current processes from scheduling patient CT Simulations to treatment plan approval. From this, the entire workflow was categorized into processes, sub-processes, and tasks. For each process we gathered data on touch time, first time quality,more » undesirable effects (UDEs), and wait-times from relevant members of each task. UDEs were binned per frequency of their occurrence. We huddled to map future state and to find solutions to high frequency UDEs. We implemented visual controls, hard stops, and documented issues found during chart checks prior to treatment plan approval. Results: We have identified approximately 64 UDEs in our current workflow that could cause delays, re-work, compromise the quality and safety of patient treatments, or cause wait times between 1 – 6 days. While some UDEs are unavoidable, such as re-planning due to patient weight loss, eliminating avoidable UDEs is our goal. In 2015, we found 399 issues with patient treatment plans, of which 261, 95 and 43 were low, medium and high severity, respectively. We also mapped patient-specific QA processes for IMRT/Rapid Arc and SRS/SBRT, involving 10 and 18 steps, respectively. From these, 13 UDEs were found and 5 were addressed that solved 20% of issues. Conclusion: We have successfully implemented lean methodology and tools. We are further mapping treatment site specific workflows to identify bottlenecks, potential breakdowns and personnel allocation and employ tools like failure mode effects analysis to mitigate risk factors to make this process efficient.« less

Reducing the Schizophrenia Stigma: A New Approach Based on Augmented Reality

PubMed Central

Silva, Rafael D. de C.; Albuquerque, Saulo G. C.; Muniz, Artur de V.; Filho, Pedro P. Rebouças; Ribeiro, Sidarta

2017-01-01

Schizophrenia is a chronic mental disease that usually manifests psychotic symptoms and affects an individual's functionality. The stigma related to this disease is a serious obstacle for an adequate approach to its treatment. Stigma can, for example, delay the start of treatment, and it creates difficulties in interpersonal and professional relationships. This work proposes a new tool based on augmented reality to reduce the stigma related to schizophrenia. The tool is capable of simulating the psychotic symptoms typical of schizophrenia and simulates sense perception changes in order to create an immersive experience capable of generating pathological experiences of a patient with schizophrenia. The integration into the proposed environment occurs through immersion glasses and an embedded camera. Audio and visual effects can also be applied in real time. To validate the proposed environment, medical students experienced the virtual environment and then answered three questionnaires to assess (i) stigmas related to schizophrenia, (ii) the efficiency and effectiveness of the tool, and, finally (iii) stigma after simulation. The analysis of the questionnaires showed that the proposed model is a robust tool and quite realistic and, thus, very promising in reducing stigma associated with schizophrenia by instilling in the observer a greater comprehension of any person during an schizophrenic outbreak, whether a patient or a family member. PMID:29317860

ParCAT: A Parallel Climate Analysis Toolkit

NASA Astrophysics Data System (ADS)

Haugen, B.; Smith, B.; Steed, C.; Ricciuto, D. M.; Thornton, P. E.; Shipman, G.

2012-12-01

Climate science has employed increasingly complex models and simulations to analyze the past and predict the future of our climate. The size and dimensionality of climate simulation data has been growing with the complexity of the models. This growth in data is creating a widening gap between the data being produced and the tools necessary to analyze large, high dimensional data sets. With single run data sets increasing into 10's, 100's and even 1000's of gigabytes, parallel computing tools are becoming a necessity in order to analyze and compare climate simulation data. The Parallel Climate Analysis Toolkit (ParCAT) provides basic tools that efficiently use parallel computing techniques to narrow the gap between data set size and analysis tools. ParCAT was created as a collaborative effort between climate scientists and computer scientists in order to provide efficient parallel implementations of the computing tools that are of use to climate scientists. Some of the basic functionalities included in the toolkit are the ability to compute spatio-temporal means and variances, differences between two runs and histograms of the values in a data set. ParCAT is designed to facilitate the "heavy lifting" that is required for large, multidimensional data sets. The toolkit does not focus on performing the final visualizations and presentation of results but rather, reducing large data sets to smaller, more manageable summaries. The output from ParCAT is provided in commonly used file formats (NetCDF, CSV, ASCII) to allow for simple integration with other tools. The toolkit is currently implemented as a command line utility, but will likely also provide a C library for developers interested in tighter software integration. Elements of the toolkit are already being incorporated into projects such as UV-CDAT and CMDX. There is also an effort underway to implement portions of the CCSM Land Model Diagnostics package using ParCAT in conjunction with Python and gnuplot. ParCAT is implemented in C to provide efficient file IO. The file IO operations in the toolkit use the parallel-netcdf library; this enables the code to use the parallel IO capabilities of modern HPC systems. Analysis that currently requires an estimated 12+ hours with the traditional CCSM Land Model Diagnostics Package can now be performed in as little as 30 minutes on a single desktop workstation and a few minutes for relatively small jobs completed on modern HPC systems such as ORNL's Jaguar.

Time-efficient simulations of tight-binding electronic structures with Intel Xeon PhiTM many-core processors

NASA Astrophysics Data System (ADS)

Ryu, Hoon; Jeong, Yosang; Kang, Ji-Hoon; Cho, Kyu Nam

2016-12-01

Modelling of multi-million atomic semiconductor structures is important as it not only predicts properties of physically realizable novel materials, but can accelerate advanced device designs. This work elaborates a new Technology-Computer-Aided-Design (TCAD) tool for nanoelectronics modelling, which uses a sp3d5s∗ tight-binding approach to describe multi-million atomic structures, and simulate electronic structures with high performance computing (HPC), including atomic effects such as alloy and dopant disorders. Being named as Quantum simulation tool for Advanced Nanoscale Devices (Q-AND), the tool shows nice scalability on traditional multi-core HPC clusters implying the strong capability of large-scale electronic structure simulations, particularly with remarkable performance enhancement on latest clusters of Intel Xeon PhiTM coprocessors. A review of the recent modelling study conducted to understand an experimental work of highly phosphorus-doped silicon nanowires, is presented to demonstrate the utility of Q-AND. Having been developed via Intel Parallel Computing Center project, Q-AND will be open to public to establish a sound framework of nanoelectronics modelling with advanced HPC clusters of a many-core base. With details of the development methodology and exemplary study of dopant electronics, this work will present a practical guideline for TCAD development to researchers in the field of computational nanoelectronics.

Design and Evaluation of the Terminal Area Precision Scheduling and Spacing System

NASA Technical Reports Server (NTRS)

Swenson, Harry N.; Thipphavong, Jane; Sadovsky, Alex; Chen, Liang; Sullivan, Chris; Martin, Lynne

2011-01-01

This paper describes the design, development and results from a high fidelity human-in-the-loop simulation of an integrated set of trajectory-based automation tools providing precision scheduling, sequencing and controller merging and spacing functions. These integrated functions are combined into a system called the Terminal Area Precision Scheduling and Spacing (TAPSS) system. It is a strategic and tactical planning tool that provides Traffic Management Coordinators, En Route and Terminal Radar Approach Control air traffic controllers the ability to efficiently optimize the arrival capacity of a demand-impacted airport while simultaneously enabling fuel-efficient descent procedures. The TAPSS system consists of four-dimensional trajectory prediction, arrival runway balancing, aircraft separation constraint-based scheduling, traffic flow visualization and trajectory-based advisories to assist controllers in efficient metering, sequencing and spacing. The TAPSS system was evaluated and compared to today's ATC operation through extensive series of human-in-the-loop simulations for arrival flows into the Los Angeles International Airport. The test conditions included the variation of aircraft demand from a baseline of today's capacity constrained periods through 5%, 10% and 20% increases. Performance data were collected for engineering and human factor analysis and compared with similar operations both with and without the TAPSS system. The engineering data indicate operations with the TAPSS show up to a 10% increase in airport throughput during capacity constrained periods while maintaining fuel-efficient aircraft descent profiles from cruise to landing.

FY10 Report on Multi-scale Simulation of Solvent Extraction Processes: Molecular-scale and Continuum-scale Studies

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

Wardle, Kent E.; Frey, Kurt; Pereira, Candido

2014-02-02

This task is aimed at predictive modeling of solvent extraction processes in typical extraction equipment through multiple simulation methods at various scales of resolution. We have conducted detailed continuum fluid dynamics simulation on the process unit level as well as simulations of the molecular-level physical interactions which govern extraction chemistry. Through combination of information gained through simulations at each of these two tiers along with advanced techniques such as the Lattice Boltzmann Method (LBM) which can bridge these two scales, we can develop the tools to work towards predictive simulation for solvent extraction on the equipment scale (Figure 1). Themore » goal of such a tool-along with enabling optimized design and operation of extraction units-would be to allow prediction of stage extraction effrciency under specified conditions. Simulation efforts on each of the two scales will be described below. As the initial application of FELBM in the work performed during FYl0 has been on annular mixing it will be discussed in context of the continuum-scale. In the future, however, it is anticipated that the real value of FELBM will be in its use as a tool for sub-grid model development through highly refined DNS-like multiphase simulations facilitating exploration and development of droplet models including breakup and coalescence which will be needed for the large-scale simulations where droplet level physics cannot be resolved. In this area, it can have a significant advantage over traditional CFD methods as its high computational efficiency allows exploration of significantly greater physical detail especially as computational resources increase in the future.« less

Materials Genome Initiative

NASA Technical Reports Server (NTRS)

Vickers, John

2015-01-01

The Materials Genome Initiative (MGI) project element is a cross-Center effort that is focused on the integration of computational tools to simulate manufacturing processes and materials behavior. These computational simulations will be utilized to gain understanding of processes and materials behavior to accelerate process development and certification to more efficiently integrate new materials in existing NASA projects and to lead to the design of new materials for improved performance. This NASA effort looks to collaborate with efforts at other government agencies and universities working under the national MGI. MGI plans to develop integrated computational/experimental/ processing methodologies for accelerating discovery and insertion of materials to satisfy NASA's unique mission demands. The challenges include validated design tools that incorporate materials properties, processes, and design requirements; and materials process control to rapidly mature emerging manufacturing methods and develop certified manufacturing processes

APRON: A Cellular Processor Array Simulation and Hardware Design Tool

NASA Astrophysics Data System (ADS)

Barr, David R. W.; Dudek, Piotr

2009-12-01

We present a software environment for the efficient simulation of cellular processor arrays (CPAs). This software (APRON) is used to explore algorithms that are designed for massively parallel fine-grained processor arrays, topographic multilayer neural networks, vision chips with SIMD processor arrays, and related architectures. The software uses a highly optimised core combined with a flexible compiler to provide the user with tools for the design of new processor array hardware architectures and the emulation of existing devices. We present performance benchmarks for the software processor array implemented on standard commodity microprocessors. APRON can be configured to use additional processing hardware if necessary and can be used as a complete graphical user interface and development environment for new or existing CPA systems, allowing more users to develop algorithms for CPA systems.

Low-power, high-speed 1-bit inexact Full Adder cell designs applicable to low-energy image processing

NASA Astrophysics Data System (ADS)

Zareei, Zahra; Navi, Keivan; Keshavarziyan, Peiman

2018-03-01

In this paper, three novel low-power and high-speed 1-bit inexact Full Adder cell designs are presented based on current mode logic in 32 nm carbon nanotube field effect transistor technology for the first time. The circuit-level figures of merits, i.e. power, delay and power-delay product as well as application-level metric such as error distance, are considered to assess the efficiency of the proposed cells over their counterparts. The effect of voltage scaling and temperature variation on the proposed cells is studied using HSPICE tool. Moreover, using MATLAB tool, the peak signal to noise ratio of the proposed cells is evaluated in an image-processing application referred to as motion detector. Simulation results confirm the efficiency of the proposed cells.

Feasibility assessment of the interactive use of a Monte Carlo algorithm in treatment planning for intraoperative electron radiation therapy

NASA Astrophysics Data System (ADS)

Guerra, Pedro; Udías, José M.; Herranz, Elena; Santos-Miranda, Juan Antonio; Herraiz, Joaquín L.; Valdivieso, Manlio F.; Rodríguez, Raúl; Calama, Juan A.; Pascau, Javier; Calvo, Felipe A.; Illana, Carlos; Ledesma-Carbayo, María J.; Santos, Andrés

2014-12-01

This work analysed the feasibility of using a fast, customized Monte Carlo (MC) method to perform accurate computation of dose distributions during pre- and intraplanning of intraoperative electron radiation therapy (IOERT) procedures. The MC method that was implemented, which has been integrated into a specific innovative simulation and planning tool, is able to simulate the fate of thousands of particles per second, and it was the aim of this work to determine the level of interactivity that could be achieved. The planning workflow enabled calibration of the imaging and treatment equipment, as well as manipulation of the surgical frame and insertion of the protection shields around the organs at risk and other beam modifiers. In this way, the multidisciplinary team involved in IOERT has all the tools necessary to perform complex MC dosage simulations adapted to their equipment in an efficient and transparent way. To assess the accuracy and reliability of this MC technique, dose distributions for a monoenergetic source were compared with those obtained using a general-purpose software package used widely in medical physics applications. Once accuracy of the underlying simulator was confirmed, a clinical accelerator was modelled and experimental measurements in water were conducted. A comparison was made with the output from the simulator to identify the conditions under which accurate dose estimations could be obtained in less than 3 min, which is the threshold imposed to allow for interactive use of the tool in treatment planning. Finally, a clinically relevant scenario, namely early-stage breast cancer treatment, was simulated with pre- and intraoperative volumes to verify that it was feasible to use the MC tool intraoperatively and to adjust dose delivery based on the simulation output, without compromising accuracy. The workflow provided a satisfactory model of the treatment head and the imaging system, enabling proper configuration of the treatment planning system and providing good accuracy in the dosage simulation.

GeNeDA: An Open-Source Workflow for Design Automation of Gene Regulatory Networks Inspired from Microelectronics.

PubMed

Madec, Morgan; Pecheux, François; Gendrault, Yves; Rosati, Elise; Lallement, Christophe; Haiech, Jacques

2016-10-01

The topic of this article is the development of an open-source automated design framework for synthetic biology, specifically for the design of artificial gene regulatory networks based on a digital approach. In opposition to other tools, GeNeDA is an open-source online software based on existing tools used in microelectronics that have proven their efficiency over the last 30 years. The complete framework is composed of a computation core directly adapted from an Electronic Design Automation tool, input and output interfaces, a library of elementary parts that can be achieved with gene regulatory networks, and an interface with an electrical circuit simulator. Each of these modules is an extension of microelectronics tools and concepts: ODIN II, ABC, the Verilog language, SPICE simulator, and SystemC-AMS. GeNeDA is first validated on a benchmark of several combinatorial circuits. The results highlight the importance of the part library. Then, this framework is used for the design of a sequential circuit including a biological state machine.

A study on optimization of hybrid drive train using Advanced Vehicle Simulator (ADVISOR)

NASA Astrophysics Data System (ADS)

Same, Adam; Stipe, Alex; Grossman, David; Park, Jae Wan

This study investigates the advantages and disadvantages of three hybrid drive train configurations: series, parallel, and "through-the-ground" parallel. Power flow simulations are conducted with the MATLAB/Simulink-based software ADVISOR. These simulations are then applied in an application for the UC Davis SAE Formula Hybrid vehicle. ADVISOR performs simulation calculations for vehicle position using a combined backward/forward method. These simulations are used to study how efficiency and agility are affected by the motor, fuel converter, and hybrid configuration. Three different vehicle models are developed to optimize the drive train of a vehicle for three stages of the SAE Formula Hybrid competition: autocross, endurance, and acceleration. Input cycles are created based on rough estimates of track geometry. The output from these ADVISOR simulations is a series of plots of velocity profile and energy storage State of Charge that provide a good estimate of how the Formula Hybrid vehicle will perform on the given course. The most noticeable discrepancy between the input cycle and the actual velocity profile of the vehicle occurs during deceleration. A weighted ranking system is developed to organize the simulation results and to determine the best drive train configuration for the Formula Hybrid vehicle. Results show that the through-the-ground parallel configuration with front-mounted motors achieves an optimal balance of efficiency, simplicity, and cost. ADVISOR is proven to be a useful tool for vehicle power train design for the SAE Formula Hybrid competition. This vehicle model based on ADVISOR simulation is applicable to various studies concerning performance and efficiency of hybrid drive trains.

Fast Simulation of Dynamic Ultrasound Images Using the GPU.

PubMed

Storve, Sigurd; Torp, Hans

2017-10-01

Simulated ultrasound data is a valuable tool for development and validation of quantitative image analysis methods in echocardiography. Unfortunately, simulation time can become prohibitive for phantoms consisting of a large number of point scatterers. The COLE algorithm by Gao et al. is a fast convolution-based simulator that trades simulation accuracy for improved speed. We present highly efficient parallelized CPU and GPU implementations of the COLE algorithm with an emphasis on dynamic simulations involving moving point scatterers. We argue that it is crucial to minimize the amount of data transfers from the CPU to achieve good performance on the GPU. We achieve this by storing the complete trajectories of the dynamic point scatterers as spline curves in the GPU memory. This leads to good efficiency when simulating sequences consisting of a large number of frames, such as B-mode and tissue Doppler data for a full cardiac cycle. In addition, we propose a phase-based subsample delay technique that efficiently eliminates flickering artifacts seen in B-mode sequences when COLE is used without enough temporal oversampling. To assess the performance, we used a laptop computer and a desktop computer, each equipped with a multicore Intel CPU and an NVIDIA GPU. Running the simulator on a high-end TITAN X GPU, we observed two orders of magnitude speedup compared to the parallel CPU version, three orders of magnitude speedup compared to simulation times reported by Gao et al. in their paper on COLE, and a speedup of 27000 times compared to the multithreaded version of Field II, using numbers reported in a paper by Jensen. We hope that by releasing the simulator as an open-source project we will encourage its use and further development.

Moose: An Open-Source Framework to Enable Rapid Development of Collaborative, Multi-Scale, Multi-Physics Simulation Tools

NASA Astrophysics Data System (ADS)

Slaughter, A. E.; Permann, C.; Peterson, J. W.; Gaston, D.; Andrs, D.; Miller, J.

2014-12-01

The Idaho National Laboratory (INL)-developed Multiphysics Object Oriented Simulation Environment (MOOSE; www.mooseframework.org), is an open-source, parallel computational framework for enabling the solution of complex, fully implicit multiphysics systems. MOOSE provides a set of computational tools that scientists and engineers can use to create sophisticated multiphysics simulations. Applications built using MOOSE have computed solutions for chemical reaction and transport equations, computational fluid dynamics, solid mechanics, heat conduction, mesoscale materials modeling, geomechanics, and others. To facilitate the coupling of diverse and highly-coupled physical systems, MOOSE employs the Jacobian-free Newton-Krylov (JFNK) method when solving the coupled nonlinear systems of equations arising in multiphysics applications. The MOOSE framework is written in C++, and leverages other high-quality, open-source scientific software packages such as LibMesh, Hypre, and PETSc. MOOSE uses a "hybrid parallel" model which combines both shared memory (thread-based) and distributed memory (MPI-based) parallelism to ensure efficient resource utilization on a wide range of computational hardware. MOOSE-based applications are inherently modular, which allows for simulation expansion (via coupling of additional physics modules) and the creation of multi-scale simulations. Any application developed with MOOSE supports running (in parallel) any other MOOSE-based application. Each application can be developed independently, yet easily communicate with other applications (e.g., conductivity in a slope-scale model could be a constant input, or a complete phase-field micro-structure simulation) without additional code being written. This method of development has proven effective at INL and expedites the development of sophisticated, sustainable, and collaborative simulation tools.

LoRTE: Detecting transposon-induced genomic variants using low coverage PacBio long read sequences.

PubMed

Disdero, Eric; Filée, Jonathan

2017-01-01

Population genomic analysis of transposable elements has greatly benefited from recent advances of sequencing technologies. However, the short size of the reads and the propensity of transposable elements to nest in highly repeated regions of genomes limits the efficiency of bioinformatic tools when Illumina or 454 technologies are used. Fortunately, long read sequencing technologies generating read length that may span the entire length of full transposons are now available. However, existing TE population genomic softwares were not designed to handle long reads and the development of new dedicated tools is needed. LoRTE is the first tool able to use PacBio long read sequences to identify transposon deletions and insertions between a reference genome and genomes of different strains or populations. Tested against simulated and genuine Drosophila melanogaster PacBio datasets, LoRTE appears to be a reliable and broadly applicable tool to study the dynamic and evolutionary impact of transposable elements using low coverage, long read sequences. LoRTE is an efficient and accurate tool to identify structural genomic variants caused by TE insertion or deletion. LoRTE is available for download at http://www.egce.cnrs-gif.fr/?p=6422.

The Alba ray tracing code: ART

NASA Astrophysics Data System (ADS)

Nicolas, Josep; Barla, Alessandro; Juanhuix, Jordi

2013-09-01

The Alba ray tracing code (ART) is a suite of Matlab functions and tools for the ray tracing simulation of x-ray beamlines. The code is structured in different layers, which allow its usage as part of optimization routines as well as an easy control from a graphical user interface. Additional tools for slope error handling and for grating efficiency calculations are also included. Generic characteristics of ART include the accumulation of rays to improve statistics without memory limitations, and still providing normalized values of flux and resolution in physically meaningful units.

Optimum spaceborne computer system design by simulation

NASA Technical Reports Server (NTRS)

Williams, T.; Weatherbee, J. E.; Taylor, D. S.

1972-01-01

A deterministic digital simulation model is described which models the Automatically Reconfigurable Modular Multiprocessor System (ARMMS), a candidate computer system for future manned and unmanned space missions. Use of the model as a tool in configuring a minimum computer system for a typical mission is demonstrated. The configuration which is developed as a result of studies with the simulator is optimal with respect to the efficient use of computer system resources, i.e., the configuration derived is a minimal one. Other considerations such as increased reliability through the use of standby spares would be taken into account in the definition of a practical system for a given mission.

Active control and sound synthesis--two different ways to investigate the influence of the modal parameters of a guitar on its sound.

PubMed

Benacchio, Simon; Mamou-Mani, Adrien; Chomette, Baptiste; Finel, Victor

2016-03-01

The vibrational behavior of musical instruments is usually studied using physical modeling and simulations. Recently, active control has proven its efficiency to experimentally modify the dynamical behavior of musical instruments. This approach could also be used as an experimental tool to systematically study fine physical phenomena. This paper proposes to use modal active control as an alternative to sound simulation to study the complex case of the coupling between classical guitar strings and soundboard. A comparison between modal active control and sound simulation investigates the advantages, the drawbacks, and the limits of these two approaches.

Managing Input during Assistive Technology Product Design

ERIC Educational Resources Information Center

Choi, Young Mi

2011-01-01

Many different sources of input are available to assistive technology innovators during the course of designing products. However, there is little information on which ones may be most effective or how they may be efficiently utilized within the design process. The aim of this project was to compare how three types of input--from simulation tools,…

Efficient critical design load case identification for floating offshore wind turbines with a reduced nonlinear model

NASA Astrophysics Data System (ADS)

Matha, Denis; Sandner, Frank; Schlipf, David

2014-12-01

Design verification of wind turbines is performed by simulation of design load cases (DLC) defined in the IEC 61400-1 and -3 standards or equivalent guidelines. Due to the resulting large number of necessary load simulations, here a method is presented to reduce the computational effort for DLC simulations significantly by introducing a reduced nonlinear model and simplified hydro- and aerodynamics. The advantage of the formulation is that the nonlinear ODE system only contains basic mathematic operations and no iterations or internal loops which makes it very computationally efficient. Global turbine extreme and fatigue loads such as rotor thrust, tower base bending moment and mooring line tension, as well as platform motions are outputs of the model. They can be used to identify critical and less critical load situations to be then analysed with a higher fidelity tool and so speed up the design process. Results from these reduced model DLC simulations are presented and compared to higher fidelity models. Results in frequency and time domain as well as extreme and fatigue load predictions demonstrate that good agreement between the reduced and advanced model is achieved, allowing to efficiently exclude less critical DLC simulations, and to identify the most critical subset of cases for a given design. Additionally, the model is applicable for brute force optimization of floater control system parameters.

Microseismic Full Waveform Modeling in Anisotropic Media with Moment Tensor Implementation

NASA Astrophysics Data System (ADS)

Shi, Peidong; Angus, Doug; Nowacki, Andy; Yuan, Sanyi; Wang, Yanyan

2018-03-01

Seismic anisotropy which is common in shale and fractured rocks will cause travel-time and amplitude discrepancy in different propagation directions. For microseismic monitoring which is often implemented in shale or fractured rocks, seismic anisotropy needs to be carefully accounted for in source location and mechanism determination. We have developed an efficient finite-difference full waveform modeling tool with an arbitrary moment tensor source. The modeling tool is suitable for simulating wave propagation in anisotropic media for microseismic monitoring. As both dislocation and non-double-couple source are often observed in microseismic monitoring, an arbitrary moment tensor source is implemented in our forward modeling tool. The increments of shear stress are equally distributed on the staggered grid to implement an accurate and symmetric moment tensor source. Our modeling tool provides an efficient way to obtain the Green's function in anisotropic media, which is the key of anisotropic moment tensor inversion and source mechanism characterization in microseismic monitoring. In our research, wavefields in anisotropic media have been carefully simulated and analyzed in both surface array and downhole array. The variation characteristics of travel-time and amplitude of direct P- and S-wave in vertical transverse isotropic media and horizontal transverse isotropic media are distinct, thus providing a feasible way to distinguish and identify the anisotropic type of the subsurface. Analyzing the travel-times and amplitudes of the microseismic data is a feasible way to estimate the orientation and density of the induced cracks in hydraulic fracturing. Our anisotropic modeling tool can be used to generate and analyze microseismic full wavefield with full moment tensor source in anisotropic media, which can help promote the anisotropic interpretation and inversion of field data.

Microseismic Full Waveform Modeling in Anisotropic Media with Moment Tensor Implementation

NASA Astrophysics Data System (ADS)

Shi, Peidong; Angus, Doug; Nowacki, Andy; Yuan, Sanyi; Wang, Yanyan

2018-07-01

Seismic anisotropy which is common in shale and fractured rocks will cause travel-time and amplitude discrepancy in different propagation directions. For microseismic monitoring which is often implemented in shale or fractured rocks, seismic anisotropy needs to be carefully accounted for in source location and mechanism determination. We have developed an efficient finite-difference full waveform modeling tool with an arbitrary moment tensor source. The modeling tool is suitable for simulating wave propagation in anisotropic media for microseismic monitoring. As both dislocation and non-double-couple source are often observed in microseismic monitoring, an arbitrary moment tensor source is implemented in our forward modeling tool. The increments of shear stress are equally distributed on the staggered grid to implement an accurate and symmetric moment tensor source. Our modeling tool provides an efficient way to obtain the Green's function in anisotropic media, which is the key of anisotropic moment tensor inversion and source mechanism characterization in microseismic monitoring. In our research, wavefields in anisotropic media have been carefully simulated and analyzed in both surface array and downhole array. The variation characteristics of travel-time and amplitude of direct P- and S-wave in vertical transverse isotropic media and horizontal transverse isotropic media are distinct, thus providing a feasible way to distinguish and identify the anisotropic type of the subsurface. Analyzing the travel-times and amplitudes of the microseismic data is a feasible way to estimate the orientation and density of the induced cracks in hydraulic fracturing. Our anisotropic modeling tool can be used to generate and analyze microseismic full wavefield with full moment tensor source in anisotropic media, which can help promote the anisotropic interpretation and inversion of field data.

A reduced-order integral formulation to account for the finite size effect of isotropic square panels using the transfer matrix method.

PubMed

Bonfiglio, Paolo; Pompoli, Francesco; Lionti, Riccardo

2016-04-01

The transfer matrix method is a well-established prediction tool for the simulation of sound transmission loss and the sound absorption coefficient of flat multilayer systems. Much research has been dedicated to enhancing the accuracy of the method by introducing a finite size effect of the structure to be simulated. The aim of this paper is to present a reduced-order integral formulation to predict radiation efficiency and radiation impedance for a panel with equal lateral dimensions. The results are presented and discussed for different materials in terms of radiation efficiency, sound transmission loss, and the sound absorption coefficient. Finally, the application of the proposed methodology for rectangular multilayer systems is also investigated and validated against experimental data.

Assessing teamwork performance in obstetrics: A systematic search and review of validated tools.

PubMed

Fransen, Annemarie F; de Boer, Liza; Kienhorst, Dieneke; Truijens, Sophie E; van Runnard Heimel, Pieter J; Oei, S Guid

2017-09-01

Teamwork performance is an essential component for the clinical efficiency of multi-professional teams in obstetric care. As patient safety is related to teamwork performance, it has become an important learning goal in simulation-based education. In order to improve teamwork performance, reliable assessment tools are required. These can be used to provide feedback during training courses, or to compare learning effects between different types of training courses. The aim of the current study is to (1) identify the available assessment tools to evaluate obstetric teamwork performance in a simulated environment, and (2) evaluate their psychometric properties in order to identify the most valuable tool(s) to use. We performed a systematic search in PubMed, MEDLINE, and EMBASE to identify articles describing assessment tools for the evaluation of obstetric teamwork performance in a simulated environment. In order to evaluate the quality of the identified assessment tools the standards and grading rules have been applied as recommended by the Accreditation Council for Graduate Medical Education (ACGME) Committee on Educational Outcomes. The included studies were also assessed according to the Oxford Centre for Evidence Based Medicine (OCEBM) levels of evidence. This search resulted in the inclusion of five articles describing the following six tools: Clinical Teamwork Scale, Human Factors Rating Scale, Global Rating Scale, Assessment of Obstetric Team Performance, Global Assessment of Obstetric Team Performance, and the Teamwork Measurement Tool. Based on the ACGME guidelines we assigned a Class 3, level C of evidence, to all tools. Regarding the OCEBM levels of evidence, a level 3b was assigned to two studies and a level 4 to four studies. The Clinical Teamwork Scale demonstrated the most comprehensive validation, and the Teamwork Measurement Tool demonstrated promising results, however it is recommended to further investigate its reliability. Copyright © 2017. Published by Elsevier B.V.

CONSOLE: A CAD tandem for optimization-based design interacting with user-supplied simulators

NASA Technical Reports Server (NTRS)

Fan, Michael K. H.; Wang, Li-Sheng; Koninckx, Jan; Tits, Andre L.

1989-01-01

CONSOLE employs a recently developed design methodology (International Journal of Control 43:1693-1721) which provides the designer with a congenial environment to express his problem as a multiple ojective constrained optimization problem and allows him to refine his characterization of optimality when a suboptimal design is approached. To this end, in CONSOLE, the designed formulates the design problem using a high-level language and performs design task and explores tradeoff through a few short and clearly defined commands. The range of problems that can be solved efficiently using a CAD tools depends very much on the ability of this tool to be interfaced with user-supplied simulators. For instance, when designing a control system one makes use of the characteristics of the plant, and therefore, a model of the plant under study has to be made available to the CAD tool. CONSOLE allows for an easy interfacing of almost any simulator the user has available. To date CONSOLE has already been used successfully in many applications, including the design of controllers for a flexible arm and for a robotic manipulator and the solution of a parameter selection problem for a neural network.

The Creation of a CPU Timer for High Fidelity Programs

NASA Technical Reports Server (NTRS)

Dick, Aidan A.

2011-01-01

Using C and C++ programming languages, a tool was developed that measures the efficiency of a program by recording the amount of CPU time that various functions consume. By inserting the tool between lines of code in the program, one can receive a detailed report of the absolute and relative time consumption associated with each section. After adapting the generic tool for a high-fidelity launch vehicle simulation program called MAVERIC, the components of a frequently used function called "derivatives ( )" were measured. Out of the 34 sub-functions in "derivatives ( )", it was found that the top 8 sub-functions made up 83.1% of the total time spent. In order to decrease the overall run time of MAVERIC, a launch vehicle simulation program, a change was implemented in the sub-function "Event_Controller ( )". Reformatting "Event_Controller ( )" led to a 36.9% decrease in the total CPU time spent by that sub-function, and a 3.2% decrease in the total CPU time spent by the overarching function "derivatives ( )".

SSSFD manipulator engineering using statistical experiment design techniques

NASA Technical Reports Server (NTRS)

Barnes, John

1991-01-01

The Satellite Servicer System Flight Demonstration (SSSFD) program is a series of Shuttle flights designed to verify major on-orbit satellite servicing capabilities, such as rendezvous and docking of free flyers, Orbital Replacement Unit (ORU) exchange, and fluid transfer. A major part of this system is the manipulator system that will perform the ORU exchange. The manipulator must possess adequate toolplate dexterity to maneuver a variety of EVA-type tools into position to interface with ORU fasteners, connectors, latches, and handles on the satellite, and to move workpieces and ORUs through 6 degree of freedom (dof) space from the Target Vehicle (TV) to the Support Module (SM) and back. Two cost efficient tools were combined to perform a study of robot manipulator design parameters. These tools are graphical computer simulations and Taguchi Design of Experiment methods. Using a graphics platform, an off-the-shelf robot simulation software package, and an experiment designed with Taguchi's approach, the sensitivities of various manipulator kinematic design parameters to performance characteristics are determined with minimal cost.

Application of the Streamflow Prediction Tool to Estimate Sediment Dredging Volumes in Texas Coastal Waterways

NASA Astrophysics Data System (ADS)

Yeates, E.; Dreaper, G.; Afshari, S.; Tavakoly, A. A.

2017-12-01

Over the past six fiscal years, the United States Army Corps of Engineers (USACE) has contracted an average of about a billion dollars per year for navigation channel dredging. To execute these funds effectively, USACE Districts must determine which navigation channels need to be dredged in a given year. Improving this prioritization process results in more efficient waterway maintenance. This study uses the Streamflow Prediction Tool, a runoff routing model based on global weather forecast ensembles, to estimate dredged volumes. This study establishes regional linear relationships between cumulative flow and dredged volumes over a long-term simulation covering 30 years (1985-2015), using drainage area and shoaling parameters. The study framework integrates the National Hydrography Dataset (NHDPlus Dataset) with parameters from the Corps Shoaling Analysis Tool (CSAT) and dredging record data from USACE District records. Results in the test cases of the Houston Ship Channel and the Sabine and Port Arthur Harbor waterways in Texas indicate positive correlation between the simulated streamflows and actual dredging records.

RF Models for Plasma-Surface Interactions in VSim

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Smithe, D. N.; Pankin, A. Y.; Roark, C. M.; Zhou, C. D.; Stoltz, P. H.; Kruger, S. E.

2014-10-01

An overview of ongoing enhancements to the Plasma Discharge (PD) module of Tech-X's VSim software tool is presented. A sub-grid kinetic sheath model, developed for the accurate computation of sheath potentials near metal and dielectric-coated walls, enables the physical effects of DC and RF sheath physics to be included in macroscopic-scale plasma simulations that need not explicitly resolve sheath scale lengths. Sheath potential evolution, together with particle behavior near the sheath, can thus be simulated in complex geometries. Generalizations of the model to include sputtering, secondary electron emission, and effects from multiple ion species and background magnetic fields are summarized; related numerical results are also presented. In addition, improved tools for plasma chemistry and IEDF/EEDF visualization and modeling are discussed, as well as our initial efforts toward the development of hybrid fluid/kinetic transition capabilities within VSim. Ultimately, we aim to establish VSimPD as a robust, efficient computational tool for modeling industrial plasma processes. Supported by US DoE SBIR-I/II Award DE-SC0009501.

A Java-Enabled Interactive Graphical Gas Turbine Propulsion System Simulator

NASA Technical Reports Server (NTRS)

Reed, John A.; Afjeh, Abdollah A.

1997-01-01

This paper describes a gas turbine simulation system which utilizes the newly developed Java language environment software system. The system provides an interactive graphical environment which allows the quick and efficient construction and analysis of arbitrary gas turbine propulsion systems. The simulation system couples a graphical user interface, developed using the Java Abstract Window Toolkit, and a transient, space- averaged, aero-thermodynamic gas turbine analysis method, both entirely coded in the Java language. The combined package provides analytical, graphical and data management tools which allow the user to construct and control engine simulations by manipulating graphical objects on the computer display screen. Distributed simulations, including parallel processing and distributed database access across the Internet and World-Wide Web (WWW), are made possible through services provided by the Java environment.

Efficient utilization of graphics technology for space animation

NASA Technical Reports Server (NTRS)

Panos, Gregory Peter

1989-01-01

Efficient utilization of computer graphics technology has become a major investment in the work of aerospace engineers and mission designers. These new tools are having a significant impact in the development and analysis of complex tasks and procedures which must be prepared prior to actual space flight. Design and implementation of useful methods in applying these tools has evolved into a complex interaction of hardware, software, network, video and various user interfaces. Because few people can understand every aspect of this broad mix of technology, many specialists are required to build, train, maintain and adapt these tools to changing user needs. Researchers have set out to create systems where an engineering designer can easily work to achieve goals with a minimum of technological distraction. This was accomplished with high-performance flight simulation visual systems and supercomputer computational horsepower. Control throughout the creative process is judiciously applied while maintaining generality and ease of use to accommodate a wide variety of engineering needs.

Development of the electric vehicle analyzer

NASA Astrophysics Data System (ADS)

Dickey, Michael R.; Klucz, Raymond S.; Ennix, Kimberly A.; Matuszak, Leo M.

1990-06-01

The increasing technological maturity of high power (greater than 20 kW) electric propulsion devices has led to renewed interest in their use as a means of efficiently transferring payloads between earth orbits. Several systems and architecture studies have identified the potential cost benefits of high performance Electric Orbital Transfer Vehicles (EOTVs). These studies led to the initiation of the Electric Insertion Transfer Experiment (ELITE) in 1988. Managed by the Astronautics Laboratory, ELITE is a flight experiment designed to sufficiently demonstrate key technologies and options to pave the way for the full-scale development of an operational EOTV. An important consideration in the development of the ELITE program is the capability of available analytical tools to simulate the orbital mechanics of a low thrust, electric propulsion transfer vehicle. These tools are necessary not only for ELITE mission planning exercises but also for continued, efficient, accurate evaluation of DoD space transportation architectures which include EOTVs. This paper presents such a tool: the Electric Vehicle Analyzer (EVA).

“Elegant Tool” Delivers Genome-Level Science for Electrolytes

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

Keith Arterburn

Now, a ‘disruptive, virtual scientific simulation tool’ delivers a new, genome-level investigation for electrolytes to develop better, more efficient batteries. Dr. Kevin Gering, an Idaho National Laboratory researcher, has developed the Advanced Electrolyte Model (AEM), a copyrighted molecular-based simulation tool that has been scientifically proven and validated using at least a dozen ‘real-world’ physical metrics. Nominated for the 2014 international R&D 100 Award, AEM revolutionizes electrolyte materials selection, optimizing combinations and key design elements to make battery design and experimentation quick, accurate and responsive to specific needs.

Self-optimizing Monte Carlo method for nuclear well logging simulation

NASA Astrophysics Data System (ADS)

Liu, Lianyan

1997-09-01

In order to increase the efficiency of Monte Carlo simulation for nuclear well logging problems, a new method has been developed for variance reduction. With this method, an importance map is generated in the regular Monte Carlo calculation as a by-product, and the importance map is later used to conduct the splitting and Russian roulette for particle population control. By adopting a spatial mesh system, which is independent of physical geometrical configuration, the method allows superior user-friendliness. This new method is incorporated into the general purpose Monte Carlo code MCNP4A through a patch file. Two nuclear well logging problems, a neutron porosity tool and a gamma-ray lithology density tool are used to test the performance of this new method. The calculations are sped up over analog simulation by 120 and 2600 times, for the neutron porosity tool and for the gamma-ray lithology density log, respectively. The new method enjoys better performance by a factor of 4~6 times than that of MCNP's cell-based weight window, as per the converged figure-of-merits. An indirect comparison indicates that the new method also outperforms the AVATAR process for gamma-ray density tool problems. Even though it takes quite some time to generate a reasonable importance map from an analog run, a good initial map can create significant CPU time savings. This makes the method especially suitable for nuclear well logging problems, since one or several reference importance maps are usually available for a given tool. Study shows that the spatial mesh sizes should be chosen according to the mean-free-path. The overhead of the importance map generator is 6% and 14% for neutron and gamma-ray cases. The learning ability towards a correct importance map is also demonstrated. Although false-learning may happen, physical judgement can help diagnose with contributon maps. Calibration and analysis are performed for the neutron tool and the gamma-ray tool. Due to the fact that a very good initial importance map is always available after the first point has been calculated, high computing efficiency is maintained. The availability of contributon maps provides an easy way of understanding the logging measurement and analyzing for the depth of investigation.

gadfly: A pandas-based Framework for Analyzing GADGET Simulation Data

NASA Astrophysics Data System (ADS)

Hummel, Jacob A.

2016-11-01

We present the first public release (v0.1) of the open-source gadget Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing simulation data from the astrophysical simulation codes gadget and gizmo using pandas, a thoroughly documented, open-source library providing high-performance, easy-to-use data structures that is quickly becoming the standard for data analysis in python. Gadfly is a framework for analyzing particle-based simulation data stored in the HDF5 format using pandas DataFrames. The package enables efficient memory management, includes utilities for unit handling, coordinate transformations, and parallel batch processing, and provides highly optimized routines for visualizing smoothed-particle hydrodynamics data sets.

A Simulation Testbed for Airborne Merging and Spacing

NASA Technical Reports Server (NTRS)

Santos, Michel; Manikonda, Vikram; Feinberg, Art; Lohr, Gary

2008-01-01

The key innovation in this effort is the development of a simulation testbed for airborne merging and spacing (AM&S). We focus on concepts related to airports with Super Dense Operations where new airport runway configurations (e.g. parallel runways), sequencing, merging, and spacing are some of the concepts considered. We focus on modeling and simulating a complementary airborne and ground system for AM&S to increase efficiency and capacity of these high density terminal areas. From a ground systems perspective, a scheduling decision support tool generates arrival sequences and spacing requirements that are fed to the AM&S system operating on the flight deck. We enhanced NASA's Airspace Concept Evaluation Systems (ACES) software to model and simulate AM&S concepts and algorithms.

Programming strategy for efficient modeling of dynamics in a population of heterogeneous cells.

PubMed

Hald, Bjørn Olav; Garkier Hendriksen, Morten; Sørensen, Preben Graae

2013-05-15

Heterogeneity is a ubiquitous property of biological systems. Even in a genetically identical population of a single cell type, cell-to-cell differences are observed. Although the functional behavior of a given population is generally robust, the consequences of heterogeneity are fairly unpredictable. In heterogeneous populations, synchronization of events becomes a cardinal problem-particularly for phase coherence in oscillating systems. The present article presents a novel strategy for construction of large-scale simulation programs of heterogeneous biological entities. The strategy is designed to be tractable, to handle heterogeneity and to handle computational cost issues simultaneously, primarily by writing a generator of the 'model to be simulated'. We apply the strategy to model glycolytic oscillations among thousands of yeast cells coupled through the extracellular medium. The usefulness is illustrated through (i) benchmarking, showing an almost linear relationship between model size and run time, and (ii) analysis of the resulting simulations, showing that contrary to the experimental situation, synchronous oscillations are surprisingly hard to achieve, underpinning the need for tools to study heterogeneity. Thus, we present an efficient strategy to model the biological heterogeneity, neglected by ordinary mean-field models. This tool is well posed to facilitate the elucidation of the physiologically vital problem of synchronization. The complete python code is available as Supplementary Information. bjornhald@gmail.com or pgs@kiku.dk Supplementary data are available at Bioinformatics online.

A Fixed Point VHDL Component Library for a High Efficiency Reconfigurable Radio Design Methodology

NASA Technical Reports Server (NTRS)

Hoy, Scott D.; Figueiredo, Marco A.

2006-01-01

Advances in Field Programmable Gate Array (FPGA) technologies enable the implementation of reconfigurable radio systems for both ground and space applications. The development of such systems challenges the current design paradigms and requires more robust design techniques to meet the increased system complexity. Among these techniques is the development of component libraries to reduce design cycle time and to improve design verification, consequently increasing the overall efficiency of the project development process while increasing design success rates and reducing engineering costs. This paper describes the reconfigurable radio component library developed at the Software Defined Radio Applications Research Center (SARC) at Goddard Space Flight Center (GSFC) Microwave and Communications Branch (Code 567). The library is a set of fixed-point VHDL components that link the Digital Signal Processing (DSP) simulation environment with the FPGA design tools. This provides a direct synthesis path based on the latest developments of the VHDL tools as proposed by the BEE VBDL 2004 which allows for the simulation and synthesis of fixed-point math operations while maintaining bit and cycle accuracy. The VHDL Fixed Point Reconfigurable Radio Component library does not require the use of the FPGA vendor specific automatic component generators and provide a generic path from high level DSP simulations implemented in Mathworks Simulink to any FPGA device. The access to the component synthesizable, source code provides full design verification capability:

Development of a High-Order Space-Time Matrix-Free Adjoint Solver

NASA Technical Reports Server (NTRS)

Ceze, Marco A.; Diosady, Laslo T.; Murman, Scott M.

2016-01-01

The growth in computational power and algorithm development in the past few decades has granted the science and engineering community the ability to simulate flows over complex geometries, thus making Computational Fluid Dynamics (CFD) tools indispensable in analysis and design. Currently, one of the pacing items limiting the utility of CFD for general problems is the prediction of unsteady turbulent ows.1{3 Reynolds-averaged Navier-Stokes (RANS) methods, which predict a time-invariant mean flowfield, struggle to provide consistent predictions when encountering even mild separation, such as the side-of-body separation at a wing-body junction. NASA's Transformative Tools and Technologies project is developing both numerical methods and physical modeling approaches to improve the prediction of separated flows. A major focus of this e ort is efficient methods for resolving the unsteady fluctuations occurring in these flows to provide valuable engineering data of the time-accurate flow field for buffet analysis, vortex shedding, etc. This approach encompasses unsteady RANS (URANS), large-eddy simulations (LES), and hybrid LES-RANS approaches such as Detached Eddy Simulations (DES). These unsteady approaches are inherently more expensive than traditional engineering RANS approaches, hence every e ort to mitigate this cost must be leveraged. Arguably, the most cost-effective approach to improve the efficiency of unsteady methods is the optimal placement of the spatial and temporal degrees of freedom (DOF) using solution-adaptive methods.

The Development of a 3D LADAR Simulator Based on a Fast Target Impulse Response Generation Approach

NASA Astrophysics Data System (ADS)

Al-Temeemy, Ali Adnan

2017-09-01

A new laser detection and ranging (LADAR) simulator has been developed, using MATLAB and its graphical user interface, to simulate direct detection time of flight LADAR systems, and to produce 3D simulated scanning images under a wide variety of conditions. This simulator models each stage from the laser source to data generation and can be considered as an efficient simulation tool to use when developing LADAR systems and their data processing algorithms. The novel approach proposed for this simulator is to generate the actual target impulse response. This approach is fast and able to deal with high scanning requirements without losing the fidelity that accompanies increments in speed. This leads to a more efficient LADAR simulator and opens up the possibility for simulating LADAR beam propagation more accurately by using a large number of laser footprint samples. The approach is to select only the parts of the target that lie in the laser beam angular field by mathematically deriving the required equations and calculating the target angular ranges. The performance of the new simulator has been evaluated under different scanning conditions, the results showing significant increments in processing speeds in comparison to conventional approaches, which are also used in this study as a point of comparison for the results. The results also show the simulator's ability to simulate phenomena related to the scanning process, for example, type of noise, scanning resolution and laser beam width.

Theory of quantized systems: formal basis for DEVS/HLA distributed simulation environment

NASA Astrophysics Data System (ADS)

Zeigler, Bernard P.; Lee, J. S.

1998-08-01

In the context of a DARPA ASTT project, we are developing an HLA-compliant distributed simulation environment based on the DEVS formalism. This environment will provide a user- friendly, high-level tool-set for developing interoperable discrete and continuous simulation models. One application is the study of contract-based predictive filtering. This paper presents a new approach to predictive filtering based on a process called 'quantization' to reduce state update transmission. Quantization, which generates state updates only at quantum level crossings, abstracts a sender model into a DEVS representation. This affords an alternative, efficient approach to embedding continuous models within distributed discrete event simulations. Applications of quantization to message traffic reduction are discussed. The theory has been validated by DEVSJAVA simulations of test cases. It will be subject to further test in actual distributed simulations using the DEVS/HLA modeling and simulation environment.

Network-based simulation of aircraft at gates in airport terminals

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

Cheng, Y.

1998-03-01

Simulation is becoming an essential tool for planning, design, and management of airport facilities. A simulation of aircraft at gates at an airport can be applied for various periodically performed applications, relating to the dynamic behavior of aircraft at gates in airport terminals for analyses, evaluations, and decision supports. Conventionally, such simulations are implemented using an event-driven method. For a more efficient simulation, this paper proposes a network-based method. The basic idea is to transform all the sequence constraint relations of aircraft at gates into a network. The simulation is done by calculating the longest path to all the nodesmore » in the network. The effect of the algorithm of the proposed method has been examined by experiments, and the superiority of the proposed method over the event-driven method is revealed through comprehensive comparisons of their overall simulation performance.« less

Particle Collection Efficiency of a Lens-Liquid Filtration System

NASA Astrophysics Data System (ADS)

Wong, Ross Y. M.; Ng, Moses L. F.; Chao, Christopher Y. H.; Li, Z. G.

2011-09-01

Clinical and epidemiological studies have shown that indoor air quality has substantial impact on the health of building occupants [1]. Possible sources of indoor air contamination include hazardous gases as well as particulate matters (PMs) [2]. Experimental studies show that the size distribution of PMs in indoor air ranges from tens of nanometers to a few hundreds of micrometers [3]. Vacuum cleaners can be used as a major tool to collect PMs from floor/carpets, which are the main sources of indoor PMs. However, the particle collection efficiency of typical cyclonic filters in the vacuums drops significantly for particles of diameter below 10 μm. In this work, we propose a lens-liquid filtration system (see Figure 1), where the flow channel is formed by a liquid free surface and a planar plate with fin/lens structures. Computational fluid dynamics simulations are performed by using FLUENT to optimize the structure of the proposed system toward high particle collection efficiency and satisfactory pressure drop. Numerical simulations show that the system can collect 250 nm diameter particles with collection efficiency of 50%.

Development of a numerical methodology for flowforming process simulation of complex geometry tubes

NASA Astrophysics Data System (ADS)

Varela, Sonia; Santos, Maite; Arroyo, Amaia; Pérez, Iñaki; Puigjaner, Joan Francesc; Puigjaner, Blanca

2017-10-01

Nowadays, the incremental flowforming process is widely explored because of the usage of complex tubular products is increasing due to the light-weighting trend and the use of expensive materials. The enhanced mechanical properties of finished parts combined with the process efficiency in terms of raw material and energy consumption are the key factors for its competitiveness and sustainability, which is consistent with EU industry policy. As a promising technology, additional steps for extending the existing flowforming limits in the production of tubular products are required. The objective of the present research is to further expand the current state of the art regarding limitations on tube thickness and diameter, exploring the feasibility to flowform complex geometries as tubes of elevated thickness of up to 60 mm. In this study, the analysis of the backward flowforming process of 7075 aluminum tubular preform is carried out to define the optimum process parameters, machine requirements and tooling geometry as demonstration case. Numerical simulation studies on flowforming of thin walled tubular components have been considered to increase the knowledge of the technology. The calculation of the rotational movement of the mesh preform, the high ratio thickness/length and the thermomechanical condition increase significantly the computation time of the numerical simulation model. This means that efficient and reliable tools able to predict the forming loads and the quality of flowformed thick tubes are not available. This paper aims to overcome this situation by developing a simulation methodology based on FEM simulation code including new strategies. Material characterization has also been performed through tensile test to able to design the process. Finally, to check the reliability of the model, flowforming tests at industrial environment have been developed.

An Electronic Competency-Based Evaluation Tool for Assessing Humanitarian Competencies in a Simulated Exercise.

PubMed

Evans, Andrea B; Hulme, Jennifer M; Nugus, Peter; Cranmer, Hilarie H; Coutu, Melanie; Johnson, Kirsten

2017-06-01

The evaluation tool was first derived from the formerly Consortium of British Humanitarian Agencies' (CBHA; United Kingdom), now "Start Network's," Core Humanitarian Competency Framework and formatted in an electronic data capture tool that allowed for offline evaluation. During a 3-day humanitarian simulation event, participants in teams of eight to 10 were evaluated individually at multiple injects by trained evaluators. Participants were assessed on five competencies and a global rating scale. Participants evaluated both themselves and their team members using the same tool at the end of the simulation exercise (SimEx). All participants (63) were evaluated. A total of 1,008 individual evaluations were completed. There were 90 (9.0%) missing evaluations. All 63 participants also evaluated themselves and each of their teammates using the same tool. Self-evaluation scores were significantly lower than peer-evaluations, which were significantly lower than evaluators' assessments. Participants with a medical degree, and those with humanitarian work experience of one month or more, scored significantly higher on all competencies assessed by evaluators compared to other participants. Participants with prior humanitarian experience scored higher on competencies regarding operating safely and working effectively as a team member. This study presents a novel electronic evaluation tool to assess individual performance in five of six globally recognized humanitarian competency domains in a 3-day humanitarian SimEx. The evaluation tool provides a standardized approach to the assessment of humanitarian competencies that cannot be evaluated through knowledge-based testing in a classroom setting. When combined with testing knowledge-based competencies, this presents an approach to a comprehensive competency-based assessment that provides an objective measurement of competency with respect to the competencies listed in the Framework. There is an opportunity to advance the use of this tool in future humanitarian training exercises and potentially in real time, in the field. This could impact the efficiency and effectiveness of humanitarian operations. Evans AB , Hulme JM , Nugus P , Cranmer HH , Coutu M , Johnson K . An electronic competency-based evaluation tool for assessing humanitarian competencies in a simulated exercise. Prehosp Disaster Med. 2017;32(3):253-260.

Optical simulations of organic light-emitting diodes through a combination of rigorous electromagnetic solvers and Monte Carlo ray-tracing methods

NASA Astrophysics Data System (ADS)

Bahl, Mayank; Zhou, Gui-Rong; Heller, Evan; Cassarly, William; Jiang, Mingming; Scarmozzino, Rob; Gregory, G. Groot

2014-09-01

Over the last two decades there has been extensive research done to improve the design of Organic Light Emitting Diodes (OLEDs) so as to enhance light extraction efficiency, improve beam shaping, and allow color tuning through techniques such as the use of patterned substrates, photonic crystal (PCs) gratings, back reflectors, surface texture, and phosphor down-conversion. Computational simulation has been an important tool for examining these increasingly complex designs. It has provided insights for improving OLED performance as a result of its ability to explore limitations, predict solutions, and demonstrate theoretical results. Depending upon the focus of the design and scale of the problem, simulations are carried out using rigorous electromagnetic (EM) wave optics based techniques, such as finite-difference time-domain (FDTD) and rigorous coupled wave analysis (RCWA), or through ray optics based technique such as Monte Carlo ray-tracing. The former are typically used for modeling nanostructures on the OLED die, and the latter for modeling encapsulating structures, die placement, back-reflection, and phosphor down-conversion. This paper presents the use of a mixed-level simulation approach which unifies the use of EM wave-level and ray-level tools. This approach uses rigorous EM wave based tools to characterize the nanostructured die and generate both a Bidirectional Scattering Distribution function (BSDF) and a far-field angular intensity distribution. These characteristics are then incorporated into the ray-tracing simulator to obtain the overall performance. Such mixed-level approach allows for comprehensive modeling of the optical characteristic of OLEDs and can potentially lead to more accurate performance than that from individual modeling tools alone.

Efficient Simulation of Tropical Cyclone Pathways with Stochastic Perturbations

NASA Astrophysics Data System (ADS)

Webber, R.; Plotkin, D. A.; Abbot, D. S.; Weare, J.

2017-12-01

Global Climate Models (GCMs) are known to statistically underpredict intense tropical cyclones (TCs) because they fail to capture the rapid intensification and high wind speeds characteristic of the most destructive TCs. Stochastic parametrization schemes have the potential to improve the accuracy of GCMs. However, current analysis of these schemes through direct sampling is limited by the computational expense of simulating a rare weather event at fine spatial gridding. The present work introduces a stochastically perturbed parametrization tendency (SPPT) scheme to increase simulated intensity of TCs. We adapt the Weighted Ensemble algorithm to simulate the distribution of TCs at a fraction of the computational effort required in direct sampling. We illustrate the efficiency of the SPPT scheme by comparing simulations at different spatial resolutions and stochastic parameter regimes. Stochastic parametrization and rare event sampling strategies have great potential to improve TC prediction and aid understanding of tropical cyclogenesis. Since rising sea surface temperatures are postulated to increase the intensity of TCs, these strategies can also improve predictions about climate change-related weather patterns. The rare event sampling strategies used in the current work are not only a novel tool for studying TCs, but they may also be applied to sampling any range of extreme weather events.

Spot and Runway Departure Advisor (SARDA)

NASA Technical Reports Server (NTRS)

Jung, Yoon

2016-01-01

Spot and Runway Departure Advisor (SARDA) is a decision support tool to assist airline ramp controllers and ATC tower controllers to manage traffic on the airport surface to significantly improve efficiency and predictability in surface operations. The core function of the tool is the runway scheduler which generates an optimal solution for runway sequence and schedule of departure aircraft, which would minimize system delay and maximize runway throughput. The presentation also discusses the latest status of NASA's current surface research through a collaboration with an airline partner, where a tool is developed for airline ramp operators to assist departure pushback operations. The presentation describes the concept of the SARDA tool and results from human-in-the-loop simulations conducted in 2012 for Dallas-Ft. Worth International Airport and 2014 for Charlotte airport ramp tower.

An Investigation into the Effects of Roll Gyradius on Experimental Testing and Numerical Simulation: Troubleshooting Emergent Issues

DTIC Science & Technology

2015-01-01

Troubleshooting Emergent Issues Edward Dawson Maritime Division Defence Science and Technology Organisation DSTO-TN-1402 ABSTRACT This...UNCLASSIFIED UNCLASSIFIED Published by Maritime Division DSTO Defence Science and Technology Organisation 506...tools used by the Defence Science and Technology Organisation (DSTO) are an efficient and effective means to determine and evaluate the motion

PuLP/XtraPuLP : Partitioning Tools for Extreme-Scale Graphs

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

Slota, George M; Rajamanickam, Sivasankaran; Madduri, Kamesh

2017-09-21

PuLP/XtraPulp is software for partitioning graphs from several real-world problems. Graphs occur in several places in real world from road networks, social networks and scientific simulations. For efficient parallel processing these graphs have to be partitioned (split) with respect to metrics such as computation and communication costs. Our software allows such partitioning for massive graphs.

Inlet Flow Control and Prediction Technologies for Embedded Propulsion Systems

NASA Technical Reports Server (NTRS)

McMillan, Michelle L.; Mackie, Scott A.; Gissen, Abe; Vukasinovic, Bojan; Lakebrink, Matthew T.; Glezer, Ari; Mani, Mori; Mace, James L.

2011-01-01

Fail-safe, hybrid, flow control (HFC) is a promising technology for meeting high-speed cruise efficiency, low-noise signature, and reduced fuel-burn goals for future, Hybrid-Wing-Body (HWB) aircraft with embedded engines. This report details the development of HFC technology that enables improved inlet performance in HWB vehicles with highly integrated inlets and embedded engines without adversely affecting vehicle performance. In addition, new test techniques for evaluating Boundary-Layer-Ingesting (BLI)-inlet flow-control technologies developed and demonstrated through this program are documented, including the ability to generate a BLI-like inlet-entrance flow in a direct-connect, wind-tunnel facility, as well as, the use of D-optimal, statistically designed experiments to optimize test efficiency and enable interpretation of results. Validated improvements in numerical analysis tools and methods accomplished through this program are also documented, including Reynolds-Averaged Navier-Stokes CFD simulations of steady-state flow physics for baseline, BLI-inlet diffuser flow, as well as, that created by flow-control devices. Finally, numerical methods were employed in a ground-breaking attempt to directly simulate dynamic distortion. The advances in inlet technologies and prediction tools will help to meet and exceed "N+2" project goals for future HWB aircraft.

Compliant energy and momentum conservation in NEGF simulation of electron-phonon scattering in semiconductor nano-wire transistors

NASA Astrophysics Data System (ADS)

Barker, J. R.; Martinez, A.; Aldegunde, M.

2012-05-01

The modelling of spatially inhomogeneous silicon nanowire field-effect transistors has benefited from powerful simulation tools built around the Keldysh formulation of non-equilibrium Green function (NEGF) theory. The methodology is highly efficient for situations where the self-energies are diagonal (local) in space coordinates. It has thus been common practice to adopt diagonality (locality) approximations. We demonstrate here that the scattering kernel that controls the self-energies for electron-phonon interactions is generally non-local on the scale of at least a few lattice spacings (and thus within the spatial scale of features in extreme nano-transistors) and for polar optical phonon-electron interactions may be very much longer. It is shown that the diagonality approximation strongly under-estimates the scattering rates for scattering on polar optical phonons. This is an unexpected problem in silicon devices but occurs due to strong polar SO phonon-electron interactions extending into a narrow silicon channel surrounded by high kappa dielectric in wrap-round gate devices. Since dissipative inelastic scattering is already a serious problem for highly confined devices it is concluded that new algorithms need to be forthcoming to provide appropriate and efficient NEGF tools.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics.

PubMed

Porru, Marcella; Özkan, Leyla

2017-05-24

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators.

Data mining techniques for scientific computing: Application to asymptotic paraxial approximations to model ultrarelativistic particles

NASA Astrophysics Data System (ADS)

Assous, Franck; Chaskalovic, Joël

2011-06-01

We propose a new approach that consists in using data mining techniques for scientific computing. Indeed, data mining has proved to be efficient in other contexts which deal with huge data like in biology, medicine, marketing, advertising and communications. Our aim, here, is to deal with the important problem of the exploitation of the results produced by any numerical method. Indeed, more and more data are created today by numerical simulations. Thus, it seems necessary to look at efficient tools to analyze them. In this work, we focus our presentation to a test case dedicated to an asymptotic paraxial approximation to model ultrarelativistic particles. Our method directly deals with numerical results of simulations and try to understand what each order of the asymptotic expansion brings to the simulation results over what could be obtained by other lower-order or less accurate means. This new heuristic approach offers new potential applications to treat numerical solutions to mathematical models.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics

PubMed Central

2017-01-01

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators. PMID:28603342

PROTOCOL TO EVALUATE THE MOISTURE DURABILITY OF ENERGY-EFFICIENT WALLS

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

Boudreaux, Philip R; Pallin, Simon B; Hun, Diana E

Walls account for about 8% of the energy used in residential buildings. This energy penalty can be reduced with higher insulation levels and increased airtightness. However, these measures can compromise the moisture durability and long-term performance of wall assemblies because they can lead to lower moisture tolerance due to reduced drying potential. To avert these problems, a moisture durability protocol was developed to evaluate the probability that an energy-efficient wall design will experience mold growth. This protocol examines the effects of moisture sources in walls through a combination of simulations and lab experiments, uses the mold growth index as themore » moisture durability indicator, and is based on a probabilistic approach that utilizes stochastically varying input parameters. The simulation tools used include a new validated method for taking into account the effects of air leakage in wall assemblies This paper provides an overview of the developed protocol, discussion of the probabilistic simulation approach and describes results from the evaluation of two wall assemblies in Climate Zones 2, 4, and 6. The protocol will be used to supply builders with wall designs that are energy efficient, moisture durable and cost-effective.« less

DNA bipedal motor walking dynamics: an experimental and theoretical study of the dependency on step size

PubMed Central

Khara, Dinesh C; Berger, Yaron; Ouldridge, Thomas E

2018-01-01

Abstract We present a detailed coarse-grained computer simulation and single molecule fluorescence study of the walking dynamics and mechanism of a DNA bipedal motor striding on a DNA origami. In particular, we study the dependency of the walking efficiency and stepping kinetics on step size. The simulations accurately capture and explain three different experimental observations. These include a description of the maximum possible step size, a decrease in the walking efficiency over short distances and a dependency of the efficiency on the walking direction with respect to the origami track. The former two observations were not expected and are non-trivial. Based on this study, we suggest three design modifications to improve future DNA walkers. Our study demonstrates the ability of the oxDNA model to resolve the dynamics of complex DNA machines, and its usefulness as an engineering tool for the design of DNA machines that operate in the three spatial dimensions. PMID:29294083

TU-AB-BRC-12: Optimized Parallel MonteCarlo Dose Calculations for Secondary MU Checks

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

French, S; Nazareth, D; Bellor, M

Purpose: Secondary MU checks are an important tool used during a physics review of a treatment plan. Commercial software packages offer varying degrees of theoretical dose calculation accuracy, depending on the modality involved. Dose calculations of VMAT plans are especially prone to error due to the large approximations involved. Monte Carlo (MC) methods are not commonly used due to their long run times. We investigated two methods to increase the computational efficiency of MC dose simulations with the BEAMnrc code. Distributed computing resources, along with optimized code compilation, will allow for accurate and efficient VMAT dose calculations. Methods: The BEAMnrcmore » package was installed on a high performance computing cluster accessible to our clinic. MATLAB and PYTHON scripts were developed to convert a clinical VMAT DICOM plan into BEAMnrc input files. The BEAMnrc installation was optimized by running the VMAT simulations through profiling tools which indicated the behavior of the constituent routines in the code, e.g. the bremsstrahlung splitting routine, and the specified random number generator. This information aided in determining the most efficient compiling parallel configuration for the specific CPU’s available on our cluster, resulting in the fastest VMAT simulation times. Our method was evaluated with calculations involving 10{sup 8} – 10{sup 9} particle histories which are sufficient to verify patient dose using VMAT. Results: Parallelization allowed the calculation of patient dose on the order of 10 – 15 hours with 100 parallel jobs. Due to the compiler optimization process, further speed increases of 23% were achieved when compared with the open-source compiler BEAMnrc packages. Conclusion: Analysis of the BEAMnrc code allowed us to optimize the compiler configuration for VMAT dose calculations. In future work, the optimized MC code, in conjunction with the parallel processing capabilities of BEAMnrc, will be applied to provide accurate and efficient secondary MU checks.« less

A GPU Simulation Tool for Training and Optimisation in 2D Digital X-Ray Imaging.

PubMed

Gallio, Elena; Rampado, Osvaldo; Gianaria, Elena; Bianchi, Silvio Diego; Ropolo, Roberto

2015-01-01

Conventional radiology is performed by means of digital detectors, with various types of technology and different performance in terms of efficiency and image quality. Following the arrival of a new digital detector in a radiology department, all the staff involved should adapt the procedure parameters to the properties of the detector, in order to achieve an optimal result in terms of correct diagnostic information and minimum radiation risks for the patient. The aim of this study was to develop and validate a software capable of simulating a digital X-ray imaging system, using graphics processing unit computing. All radiological image components were implemented in this application: an X-ray tube with primary beam, a virtual patient, noise, scatter radiation, a grid and a digital detector. Three different digital detectors (two digital radiography and a computed radiography systems) were implemented. In order to validate the software, we carried out a quantitative comparison of geometrical and anthropomorphic phantom simulated images with those acquired. In terms of average pixel values, the maximum differences were below 15%, while the noise values were in agreement with a maximum difference of 20%. The relative trends of contrast to noise ratio versus beam energy and intensity were well simulated. Total calculation times were below 3 seconds for clinical images with pixel size of actual dimensions less than 0.2 mm. The application proved to be efficient and realistic. Short calculation times and the accuracy of the results obtained make this software a useful tool for training operators and dose optimisation studies.

The virtual reality simulator dV-Trainer(®) is a valid assessment tool for robotic surgical skills.

PubMed

Perrenot, Cyril; Perez, Manuela; Tran, Nguyen; Jehl, Jean-Philippe; Felblinger, Jacques; Bresler, Laurent; Hubert, Jacques

2012-09-01

Exponential development of minimally invasive techniques, such as robotic-assisted devices, raises the question of how to assess robotic surgery skills. Early development of virtual simulators has provided efficient tools for laparoscopic skills certification based on objective scoring, high availability, and lower cost. However, similar evaluation is lacking for robotic training. The purpose of this study was to assess several criteria, such as reliability, face, content, construct, and concurrent validity of a new virtual robotic surgery simulator. This prospective study was conducted from December 2009 to April 2010 using three simulators dV-Trainers(®) (MIMIC Technologies(®)) and one Da Vinci S(®) (Intuitive Surgical(®)). Seventy-five subjects, divided into five groups according to their initial surgical training, were evaluated based on five representative exercises of robotic specific skills: 3D perception, clutching, visual force feedback, EndoWrist(®) manipulation, and camera control. Analysis was extracted from (1) questionnaires (realism and interest), (2) automatically generated data from simulators, and (3) subjective scoring by two experts of depersonalized videos of similar exercises with robot. Face and content validity were generally considered high (77 %). Five levels of ability were clearly identified by the simulator (ANOVA; p = 0.0024). There was a strong correlation between automatic data from dV-Trainer and subjective evaluation with robot (r = 0.822). Reliability of scoring was high (r = 0.851). The most relevant criteria were time and economy of motion. The most relevant exercises were Pick and Place and Ring and Rail. The dV-Trainer(®) simulator proves to be a valid tool to assess basic skills of robotic surgery.

Comparison of Software Models for Energy Savings from Cool Roofs

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

New, Joshua Ryan; Miller, William A; Huang, Yu

2014-01-01

A web-based Roof Savings Calculator (RSC) has been deployed for the United States Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. This tool employs modern web technologies, usability design, and national average defaults as an interface to annual simulations of hour-by-hour, whole-building performance using the world-class simulation tools DOE-2.1E and AtticSim in order to provide estimated annual energy and cost savings. In addition to cool reflective roofs, RSC simulates multiple roof and attic configurations including different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roofmore » surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. A base case and energy-efficient alternative can be compared side-by-side to estimate monthly energy. RSC was benchmarked against field data from demonstration homes in Ft. Irwin, California; while cooling savings were similar, heating penalty varied significantly across different simulation engines. RSC results reduce cool roofing cost-effectiveness thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC s projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus, and presents preliminary analyses. RSC s algorithms for capturing radiant heat transfer and duct interaction in the attic assembly are considered major contributing factors to increased cooling savings and heating penalties. Comparison to previous simulation-based studies, analysis on the force multiplier of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model are included.« less

In vitro models for the prediction of in vivo performance of oral dosage forms.

PubMed

Kostewicz, Edmund S; Abrahamsson, Bertil; Brewster, Marcus; Brouwers, Joachim; Butler, James; Carlert, Sara; Dickinson, Paul A; Dressman, Jennifer; Holm, René; Klein, Sandra; Mann, James; McAllister, Mark; Minekus, Mans; Muenster, Uwe; Müllertz, Anette; Verwei, Miriam; Vertzoni, Maria; Weitschies, Werner; Augustijns, Patrick

2014-06-16

Accurate prediction of the in vivo biopharmaceutical performance of oral drug formulations is critical to efficient drug development. Traditionally, in vitro evaluation of oral drug formulations has focused on disintegration and dissolution testing for quality control (QC) purposes. The connection with in vivo biopharmaceutical performance has often been ignored. More recently, the switch to assessing drug products in a more biorelevant and mechanistic manner has advanced the understanding of drug formulation behavior. Notwithstanding this evolution, predicting the in vivo biopharmaceutical performance of formulations that rely on complex intraluminal processes (e.g. solubilization, supersaturation, precipitation…) remains extremely challenging. Concomitantly, the increasing demand for complex formulations to overcome low drug solubility or to control drug release rates urges the development of new in vitro tools. Development and optimizing innovative, predictive Oral Biopharmaceutical Tools is the main target of the OrBiTo project within the Innovative Medicines Initiative (IMI) framework. A combination of physico-chemical measurements, in vitro tests, in vivo methods, and physiology-based pharmacokinetic modeling is expected to create a unique knowledge platform, enabling the bottlenecks in drug development to be removed and the whole process of drug development to become more efficient. As part of the basis for the OrBiTo project, this review summarizes the current status of predictive in vitro assessment tools for formulation behavior. Both pharmacopoeia-listed apparatus and more advanced tools are discussed. Special attention is paid to major issues limiting the predictive power of traditional tools, including the simulation of dynamic changes in gastrointestinal conditions, the adequate reproduction of gastrointestinal motility, the simulation of supersaturation and precipitation, and the implementation of the solubility-permeability interplay. It is anticipated that the innovative in vitro biopharmaceutical tools arising from the OrBiTo project will lead to improved predictions for in vivo behavior of drug formulations in the GI tract. Copyright © 2013 Elsevier B.V. All rights reserved.

FastBit: Interactively Searching Massive Data

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

Wu, Kesheng; Ahern, Sean; Bethel, E. Wes

2009-06-23

As scientific instruments and computer simulations produce more and more data, the task of locating the essential information to gain insight becomes increasingly difficult. FastBit is an efficient software tool to address this challenge. In this article, we present a summary of the key underlying technologies, namely bitmap compression, encoding, and binning. Together these techniques enable FastBit to answer structured (SQL) queries orders of magnitude faster than popular database systems. To illustrate how FastBit is used in applications, we present three examples involving a high-energy physics experiment, a combustion simulation, and an accelerator simulation. In each case, FastBit significantly reducesmore » the response time and enables interactive exploration on terabytes of data.« less

A multi-fidelity framework for physics based rotor blade simulation and optimization

NASA Astrophysics Data System (ADS)

Collins, Kyle Brian

New helicopter rotor designs are desired that offer increased efficiency, reduced vibration, and reduced noise. Rotor Designers in industry need methods that allow them to use the most accurate simulation tools available to search for these optimal designs. Computer based rotor analysis and optimization have been advanced by the development of industry standard codes known as "comprehensive" rotorcraft analysis tools. These tools typically use table look-up aerodynamics, simplified inflow models and perform aeroelastic analysis using Computational Structural Dynamics (CSD). Due to the simplified aerodynamics, most design studies are performed varying structural related design variables like sectional mass and stiffness. The optimization of shape related variables in forward flight using these tools is complicated and results are viewed with skepticism because rotor blade loads are not accurately predicted. The most accurate methods of rotor simulation utilize Computational Fluid Dynamics (CFD) but have historically been considered too computationally intensive to be used in computer based optimization, where numerous simulations are required. An approach is needed where high fidelity CFD rotor analysis can be utilized in a shape variable optimization problem with multiple objectives. Any approach should be capable of working in forward flight in addition to hover. An alternative is proposed and founded on the idea that efficient hybrid CFD methods of rotor analysis are ready to be used in preliminary design. In addition, the proposed approach recognizes the usefulness of lower fidelity physics based analysis and surrogate modeling. Together, they are used with high fidelity analysis in an intelligent process of surrogate model building of parameters in the high fidelity domain. Closing the loop between high and low fidelity analysis is a key aspect of the proposed approach. This is done by using information from higher fidelity analysis to improve predictions made with lower fidelity models. This thesis documents the development of automated low and high fidelity physics based rotor simulation frameworks. The low fidelity framework uses a comprehensive code with simplified aerodynamics. The high fidelity model uses a parallel processor capable CFD/CSD methodology. Both low and high fidelity frameworks include an aeroacoustic simulation for prediction of noise. A synergistic process is developed that uses both the low and high fidelity frameworks together to build approximate models of important high fidelity metrics as functions of certain design variables. To test the process, a 4-bladed hingeless rotor model is used as a baseline. The design variables investigated include tip geometry and spanwise twist distribution. Approximation models are built for metrics related to rotor efficiency and vibration using the results from 60+ high fidelity (CFD/CSD) experiments and 400+ low fidelity experiments. Optimization using the approximation models found the Pareto Frontier anchor points, or the design having maximum rotor efficiency and the design having minimum vibration. Various Pareto generation methods are used to find designs on the frontier between these two anchor designs. When tested in the high fidelity framework, the Pareto anchor designs are shown to be very good designs when compared with other designs from the high fidelity database. This provides evidence that the process proposed has merit. Ultimately, this process can be utilized by industry rotor designers with their existing tools to bring high fidelity analysis into the preliminary design stage of rotors. In conclusion, the methods developed and documented in this thesis have made several novel contributions. First, an automated high fidelity CFD based forward flight simulation framework has been built for use in preliminary design optimization. The framework was built around an integrated, parallel processor capable CFD/CSD/AA process. Second, a novel method of building approximate models of high fidelity parameters has been developed. The method uses a combination of low and high fidelity results and combines Design of Experiments, statistical effects analysis, and aspects of approximation model management. And third, the determination of rotor blade shape variables through optimization using CFD based analysis in forward flight has been performed. This was done using the high fidelity CFD/CSD/AA framework and method mentioned above. While the low and high fidelity predictions methods used in the work still have inaccuracies that can affect the absolute levels of the results, a framework has been successfully developed and demonstrated that allows for an efficient process to improve rotor blade designs in terms of a selected choice of objective function(s). Using engineering judgment, this methodology could be applied today to investigate opportunities to improve existing designs. With improvements in the low and high fidelity prediction components that will certainly occur, this framework could become a powerful tool for future rotorcraft design work. (Abstract shortened by UMI.)

TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

1993-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

A novel FPGA-programmable switch matrix interconnection element in quantum-dot cellular automata

NASA Astrophysics Data System (ADS)

Hashemi, Sara; Rahimi Azghadi, Mostafa; Zakerolhosseini, Ali; Navi, Keivan

2015-04-01

The Quantum-dot cellular automata (QCA) is a novel nanotechnology, promising extra low-power, extremely dense and very high-speed structure for the construction of logical circuits at a nanoscale. In this paper, initially previous works on QCA-based FPGA's routing elements are investigated, and then an efficient, symmetric and reliable QCA programmable switch matrix (PSM) interconnection element is introduced. This element has a simple structure and offers a complete routing capability. It is implemented using a bottom-up design approach that starts from a dense and high-speed 2:1 multiplexer and utilise it to build the target PSM interconnection element. In this study, simulations of the proposed circuits are carried out using QCAdesigner, a layout and simulation tool for QCA circuits. The results demonstrate high efficiency of the proposed designs in QCA-based FPGA routing.

Method for decreasing CT simulation time of complex phantoms and systems through separation of material specific projection data

NASA Astrophysics Data System (ADS)

Divel, Sarah E.; Christensen, Soren; Wintermark, Max; Lansberg, Maarten G.; Pelc, Norbert J.

2017-03-01

Computer simulation is a powerful tool in CT; however, long simulation times of complex phantoms and systems, especially when modeling many physical aspects (e.g., spectrum, finite detector and source size), hinder the ability to realistically and efficiently evaluate and optimize CT techniques. Long simulation times primarily result from the tracing of hundreds of line integrals through each of the hundreds of geometrical shapes defined within the phantom. However, when the goal is to perform dynamic simulations or test many scan protocols using a particular phantom, traditional simulation methods inefficiently and repeatedly calculate line integrals through the same set of structures although only a few parameters change in each new case. In this work, we have developed a new simulation framework that overcomes such inefficiencies by dividing the phantom into material specific regions with the same time attenuation profiles, acquiring and storing monoenergetic projections of the regions, and subsequently scaling and combining the projections to create equivalent polyenergetic sinograms. The simulation framework is especially efficient for the validation and optimization of CT perfusion which requires analysis of many stroke cases and testing hundreds of scan protocols on a realistic and complex numerical brain phantom. Using this updated framework to conduct a 31-time point simulation with 80 mm of z-coverage of a brain phantom on two 16-core Linux serves, we have reduced the simulation time from 62 hours to under 2.6 hours, a 95% reduction.

A Variable Resolution Stretched Grid General Circulation Model: Regional Climate Simulation

NASA Technical Reports Server (NTRS)

Fox-Rabinovitz, Michael S.; Takacs, Lawrence L.; Govindaraju, Ravi C.; Suarez, Max J.

2000-01-01

The development of and results obtained with a variable resolution stretched-grid GCM for the regional climate simulation mode, are presented. A global variable resolution stretched- grid used in the study has enhanced horizontal resolution over the U.S. as the area of interest The stretched-grid approach is an ideal tool for representing regional to global scale interaction& It is an alternative to the widely used nested grid approach introduced over a decade ago as a pioneering step in regional climate modeling. The major results of the study are presented for the successful stretched-grid GCM simulation of the anomalous climate event of the 1988 U.S. summer drought- The straightforward (with no updates) two month simulation is performed with 60 km regional resolution- The major drought fields, patterns and characteristics such as the time averaged 500 hPa heights precipitation and the low level jet over the drought area. appear to be close to the verifying analyses for the stretched-grid simulation- In other words, the stretched-grid GCM provides an efficient down-scaling over the area of interest with enhanced horizontal resolution. It is also shown that the GCM skill is sustained throughout the simulation extended to one year. The developed and tested in a simulation mode stretched-grid GCM is a viable tool for regional and subregional climate studies and applications.

A resolved two-way coupled CFD/6-DOF approach for predicting embolus transport and the embolus-trapping efficiency of IVC filters.

PubMed

Aycock, Kenneth I; Campbell, Robert L; Manning, Keefe B; Craven, Brent A

2017-06-01

Inferior vena cava (IVC) filters are medical devices designed to provide a mechanical barrier to the passage of emboli from the deep veins of the legs to the heart and lungs. Despite decades of development and clinical use, IVC filters still fail to prevent the passage of all hazardous emboli. The objective of this study is to (1) develop a resolved two-way computational model of embolus transport, (2) provide verification and validation evidence for the model, and (3) demonstrate the ability of the model to predict the embolus-trapping efficiency of an IVC filter. Our model couples computational fluid dynamics simulations of blood flow to six-degree-of-freedom simulations of embolus transport and resolves the interactions between rigid, spherical emboli and the blood flow using an immersed boundary method. Following model development and numerical verification and validation of the computational approach against benchmark data from the literature, embolus transport simulations are performed in an idealized IVC geometry. Centered and tilted filter orientations are considered using a nonlinear finite element-based virtual filter placement procedure. A total of 2048 coupled CFD/6-DOF simulations are performed to predict the embolus-trapping statistics of the filter. The simulations predict that the embolus-trapping efficiency of the IVC filter increases with increasing embolus diameter and increasing embolus-to-blood density ratio. Tilted filter placement is found to decrease the embolus-trapping efficiency compared with centered filter placement. Multiple embolus-trapping locations are predicted for the IVC filter, and the trapping locations are predicted to shift upstream and toward the vessel wall with increasing embolus diameter. Simulations of the injection of successive emboli into the IVC are also performed and reveal that the embolus-trapping efficiency decreases with increasing thrombus load in the IVC filter. In future work, the computational tool could be used to investigate IVC filter design improvements, the effect of patient anatomy on embolus transport and IVC filter embolus-trapping efficiency, and, with further development and validation, optimal filter selection and placement on a patient-specific basis.

Simulation of the space station information system in Ada

NASA Technical Reports Server (NTRS)

Spiegel, James R.

1986-01-01

The Flexible Ada Simulation Tool (FAST) is a discrete event simulation language which is written in Ada. FAST has been used to simulate a number of options for ground data distribution of Space Station payload data. The fact that Ada language is used for implementation has allowed a number of useful interactive features to be built into FAST and has facilitated quick enhancement of its capabilities to support new modeling requirements. General simulation concepts are discussed, and how these concepts are implemented in FAST. The FAST design is discussed, and it is pointed out how the used of the Ada language enabled the development of some significant advantages over classical FORTRAN based simulation languages. The advantages discussed are in the areas of efficiency, ease of debugging, and ease of integrating user code. The specific Ada language features which enable these advances are discussed.

Progressive Damage and Failure Analysis of Composite Laminates

NASA Astrophysics Data System (ADS)

Joseph, Ashith P. K.

Composite materials are widely used in various industries for making structural parts due to higher strength to weight ratio, better fatigue life, corrosion resistance and material property tailorability. To fully exploit the capability of composites, it is required to know the load carrying capacity of the parts made of them. Unlike metals, composites are orthotropic in nature and fails in a complex manner under various loading conditions which makes it a hard problem to analyze. Lack of reliable and efficient failure analysis tools for composites have led industries to rely more on coupon and component level testing to estimate the design space. Due to the complex failure mechanisms, composite materials require a very large number of coupon level tests to fully characterize the behavior. This makes the entire testing process very time consuming and costly. The alternative is to use virtual testing tools which can predict the complex failure mechanisms accurately. This reduces the cost only to it's associated computational expenses making significant savings. Some of the most desired features in a virtual testing tool are - (1) Accurate representation of failure mechanism: Failure progression predicted by the virtual tool must be same as those observed in experiments. A tool has to be assessed based on the mechanisms it can capture. (2) Computational efficiency: The greatest advantages of a virtual tools are the savings in time and money and hence computational efficiency is one of the most needed features. (3) Applicability to a wide range of problems: Structural parts are subjected to a variety of loading conditions including static, dynamic and fatigue conditions. A good virtual testing tool should be able to make good predictions for all these different loading conditions. The aim of this PhD thesis is to develop a computational tool which can model the progressive failure of composite laminates under different quasi-static loading conditions. The analysis tool is validated by comparing the simulations against experiments for a selected number of quasi-static loading cases.

Linking Automated Data Analysis and Visualization with Applications in Developmental Biology and High-Energy Physics

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

Ruebel, Oliver

2009-11-20

Knowledge discovery from large and complex collections of today's scientific datasets is a challenging task. With the ability to measure and simulate more processes at increasingly finer spatial and temporal scales, the increasing number of data dimensions and data objects is presenting tremendous challenges for data analysis and effective data exploration methods and tools. Researchers are overwhelmed with data and standard tools are often insufficient to enable effective data analysis and knowledge discovery. The main objective of this thesis is to provide important new capabilities to accelerate scientific knowledge discovery form large, complex, and multivariate scientific data. The research coveredmore » in this thesis addresses these scientific challenges using a combination of scientific visualization, information visualization, automated data analysis, and other enabling technologies, such as efficient data management. The effectiveness of the proposed analysis methods is demonstrated via applications in two distinct scientific research fields, namely developmental biology and high-energy physics.Advances in microscopy, image analysis, and embryo registration enable for the first time measurement of gene expression at cellular resolution for entire organisms. Analysis of high-dimensional spatial gene expression datasets is a challenging task. By integrating data clustering and visualization, analysis of complex, time-varying, spatial gene expression patterns and their formation becomes possible. The analysis framework MATLAB and the visualization have been integrated, making advanced analysis tools accessible to biologist and enabling bioinformatic researchers to directly integrate their analysis with the visualization. Laser wakefield particle accelerators (LWFAs) promise to be a new compact source of high-energy particles and radiation, with wide applications ranging from medicine to physics. To gain insight into the complex physical processes of particle acceleration, physicists model LWFAs computationally. The datasets produced by LWFA simulations are (i) extremely large, (ii) of varying spatial and temporal resolution, (iii) heterogeneous, and (iv) high-dimensional, making analysis and knowledge discovery from complex LWFA simulation data a challenging task. To address these challenges this thesis describes the integration of the visualization system VisIt and the state-of-the-art index/query system FastBit, enabling interactive visual exploration of extremely large three-dimensional particle datasets. Researchers are especially interested in beams of high-energy particles formed during the course of a simulation. This thesis describes novel methods for automatic detection and analysis of particle beams enabling a more accurate and efficient data analysis process. By integrating these automated analysis methods with visualization, this research enables more accurate, efficient, and effective analysis of LWFA simulation data than previously possible.« less

STSE: Spatio-Temporal Simulation Environment Dedicated to Biology.

PubMed

Stoma, Szymon; Fröhlich, Martina; Gerber, Susanne; Klipp, Edda

2011-04-28

Recently, the availability of high-resolution microscopy together with the advancements in the development of biomarkers as reporters of biomolecular interactions increased the importance of imaging methods in molecular cell biology. These techniques enable the investigation of cellular characteristics like volume, size and geometry as well as volume and geometry of intracellular compartments, and the amount of existing proteins in a spatially resolved manner. Such detailed investigations opened up many new areas of research in the study of spatial, complex and dynamic cellular systems. One of the crucial challenges for the study of such systems is the design of a well stuctured and optimized workflow to provide a systematic and efficient hypothesis verification. Computer Science can efficiently address this task by providing software that facilitates handling, analysis, and evaluation of biological data to the benefit of experimenters and modelers. The Spatio-Temporal Simulation Environment (STSE) is a set of open-source tools provided to conduct spatio-temporal simulations in discrete structures based on microscopy images. The framework contains modules to digitize, represent, analyze, and mathematically model spatial distributions of biochemical species. Graphical user interface (GUI) tools provided with the software enable meshing of the simulation space based on the Voronoi concept. In addition, it supports to automatically acquire spatial information to the mesh from the images based on pixel luminosity (e.g. corresponding to molecular levels from microscopy images). STSE is freely available either as a stand-alone version or included in the linux live distribution Systems Biology Operational Software (SB.OS) and can be downloaded from http://www.stse-software.org/. The Python source code as well as a comprehensive user manual and video tutorials are also offered to the research community. We discuss main concepts of the STSE design and workflow. We demonstrate it's usefulness using the example of a signaling cascade leading to formation of a morphological gradient of Fus3 within the cytoplasm of the mating yeast cell Saccharomyces cerevisiae. STSE is an efficient and powerful novel platform, designed for computational handling and evaluation of microscopic images. It allows for an uninterrupted workflow including digitization, representation, analysis, and mathematical modeling. By providing the means to relate the simulation to the image data it allows for systematic, image driven model validation or rejection. STSE can be scripted and extended using the Python language. STSE should be considered rather as an API together with workflow guidelines and a collection of GUI tools than a stand alone application. The priority of the project is to provide an easy and intuitive way of extending and customizing software using the Python language.

Generalized DSS shell for developing simulation and optimization hydro-economic models of complex water resources systems

NASA Astrophysics Data System (ADS)

Pulido-Velazquez, Manuel; Lopez-Nicolas, Antonio; Harou, Julien J.; Andreu, Joaquin

2013-04-01

Hydrologic-economic models allow integrated analysis of water supply, demand and infrastructure management at the river basin scale. These models simultaneously analyze engineering, hydrology and economic aspects of water resources management. Two new tools have been designed to develop models within this approach: a simulation tool (SIM_GAMS), for models in which water is allocated each month based on supply priorities to competing uses and system operating rules, and an optimization tool (OPT_GAMS), in which water resources are allocated optimally following economic criteria. The characterization of the water resource network system requires a connectivity matrix representing the topology of the elements, generated using HydroPlatform. HydroPlatform, an open-source software platform for network (node-link) models, allows to store, display and export all information needed to characterize the system. Two generic non-linear models have been programmed in GAMS to use the inputs from HydroPlatform in simulation and optimization models. The simulation model allocates water resources on a monthly basis, according to different targets (demands, storage, environmental flows, hydropower production, etc.), priorities and other system operating rules (such as reservoir operating rules). The optimization model's objective function is designed so that the system meets operational targets (ranked according to priorities) each month while following system operating rules. This function is analogous to the one used in the simulation module of the DSS AQUATOOL. Each element of the system has its own contribution to the objective function through unit cost coefficients that preserve the relative priority rank and the system operating rules. The model incorporates groundwater and stream-aquifer interaction (allowing conjunctive use simulation) with a wide range of modeling options, from lumped and analytical approaches to parameter-distributed models (eigenvalue approach). Such functionality is not typically included in other water DSS. Based on the resulting water resources allocation, the model calculates operating and water scarcity costs caused by supply deficits based on economic demand functions for each demand node. The optimization model allocates the available resource over time based on economic criteria (net benefits from demand curves and cost functions), minimizing the total water scarcity and operating cost of water use. This approach provides solutions that optimize the economic efficiency (as total net benefit) in water resources management over the optimization period. Both models must be used together in water resource planning and management. The optimization model provides an initial insight on economically efficient solutions, from which different operating rules can be further developed and tested using the simulation model. The hydro-economic simulation model allows assessing economic impacts of alternative policies or operating criteria, avoiding the perfect foresight issues associated with the optimization. The tools have been applied to the Jucar river basin (Spain) in order to assess the economic results corresponding to the current modus operandi of the system and compare them with the solution from the optimization that maximizes economic efficiency. Acknowledgments: The study has been partially supported by the European Community 7th Framework Project (GENESIS project, n. 226536) and the Plan Nacional I+D+I 2008-2011 of the Spanish Ministry of Science and Innovation (CGL2009-13238-C02-01 and CGL2009-13238-C02-02).

The specific purpose Monte Carlo code McENL for simulating the response of epithermal neutron lifetime well logging tools

NASA Astrophysics Data System (ADS)

Prettyman, T. H.; Gardner, R. P.; Verghese, K.

1993-08-01

A new specific purpose Monte Carlo code called McENL for modeling the time response of epithermal neutron lifetime tools is described. The weight windows technique, employing splitting and Russian roulette, is used with an automated importance function based on the solution of an adjoint diffusion model to improve the code efficiency. Complete composition and density correlated sampling is also included in the code, and can be used to study the effect on tool response of small variations in the formation, borehole, or logging tool composition and density. An illustration of the latter application is given for the density of a thermal neutron filter. McENL was benchmarked against test-pit data for the Mobil pulsed neutron porosity tool and was found to be very accurate. Results of the experimental validation and details of code performance are presented.

An implicit higher-order spatially accurate scheme for solving time dependent flows on unstructured meshes

NASA Astrophysics Data System (ADS)

Tomaro, Robert F.

1998-07-01

The present research is aimed at developing a higher-order, spatially accurate scheme for both steady and unsteady flow simulations using unstructured meshes. The resulting scheme must work on a variety of general problems to ensure the creation of a flexible, reliable and accurate aerodynamic analysis tool. To calculate the flow around complex configurations, unstructured grids and the associated flow solvers have been developed. Efficient simulations require the minimum use of computer memory and computational times. Unstructured flow solvers typically require more computer memory than a structured flow solver due to the indirect addressing of the cells. The approach taken in the present research was to modify an existing three-dimensional unstructured flow solver to first decrease the computational time required for a solution and then to increase the spatial accuracy. The terms required to simulate flow involving non-stationary grids were also implemented. First, an implicit solution algorithm was implemented to replace the existing explicit procedure. Several test cases, including internal and external, inviscid and viscous, two-dimensional, three-dimensional and axi-symmetric problems, were simulated for comparison between the explicit and implicit solution procedures. The increased efficiency and robustness of modified code due to the implicit algorithm was demonstrated. Two unsteady test cases, a plunging airfoil and a wing undergoing bending and torsion, were simulated using the implicit algorithm modified to include the terms required for a moving and/or deforming grid. Secondly, a higher than second-order spatially accurate scheme was developed and implemented into the baseline code. Third- and fourth-order spatially accurate schemes were implemented and tested. The original dissipation was modified to include higher-order terms and modified near shock waves to limit pre- and post-shock oscillations. The unsteady cases were repeated using the higher-order spatially accurate code. The new solutions were compared with those obtained using the second-order spatially accurate scheme. Finally, the increased efficiency of using an implicit solution algorithm in a production Computational Fluid Dynamics flow solver was demonstrated for steady and unsteady flows. A third- and fourth-order spatially accurate scheme has been implemented creating a basis for a state-of-the-art aerodynamic analysis tool.

Assessment of tools for protection of quality of water: Uncontrollable discharges of pollutants.

PubMed

Dehghani Darmian, Mohsen; Hashemi Monfared, Seyed Arman; Azizyan, Gholamreza; Snyder, Shane A; Giesy, John P

2018-06-06

Selecting an appropriate crisis management plans during uncontrollable loading of pollution to water systems is crucial. In this research the quality of water resources against uncontrollable pollution is protected by use of suitable tools. Case study which was chosen in this investigation was a river-reservoir system. Analytical and numerical solutions of pollutant transport equation were considered as the simulation strategy to calculate the efficient tools to protect water quality. These practical instruments are dilution flow and a new tool called detention time which is proposed and simulated for the first time in this study. For uncontrollable pollution discharge which was approximately 130% of the river's assimilation capacity, as long as the duration of contact (T c ) was considered as a constraint, by releasing 30% of the base flow of the river from the upstream dilution reservoir, the unallowable pollution could be treated. Moreover, when the affected distance (X c ) was selected as a constraint, the required detention time that the rubber dam should detained the water to be treated was equal to 187% of the initial duration of contact. Copyright © 2018 Elsevier Inc. All rights reserved.

On the evaluation of segmentation editing tools

PubMed Central

Heckel, Frank; Moltz, Jan H.; Meine, Hans; Geisler, Benjamin; Kießling, Andreas; D’Anastasi, Melvin; dos Santos, Daniel Pinto; Theruvath, Ashok Joseph; Hahn, Horst K.

2014-01-01

Abstract. Efficient segmentation editing tools are important components in the segmentation process, as no automatic methods exist that always generate sufficient results. Evaluating segmentation editing algorithms is challenging, because their quality depends on the user’s subjective impression. So far, no established methods for an objective, comprehensive evaluation of such tools exist and, particularly, intermediate segmentation results are not taken into account. We discuss the evaluation of editing algorithms in the context of tumor segmentation in computed tomography. We propose a rating scheme to qualitatively measure the accuracy and efficiency of editing tools in user studies. In order to objectively summarize the overall quality, we propose two scores based on the subjective rating and the quantified segmentation quality over time. Finally, a simulation-based evaluation approach is discussed, which allows a more reproducible evaluation without the need for human input. This automated evaluation complements user studies, allowing a more convincing evaluation, particularly during development, where frequent user studies are not possible. The proposed methods have been used to evaluate two dedicated editing algorithms on 131 representative tumor segmentations. We show how the comparison of editing algorithms benefits from the proposed methods. Our results also show the correlation of the suggested quality score with the qualitative ratings. PMID:26158063

TU-H-CAMPUS-IeP1-01: Bias and Computational Efficiency of Variance Reduction Methods for the Monte Carlo Simulation of Imaging Detectors

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

Sharma, D; Badano, A; Sempau, J

Purpose: Variance reduction techniques (VRTs) are employed in Monte Carlo simulations to obtain estimates with reduced statistical uncertainty for a given simulation time. In this work, we study the bias and efficiency of a VRT for estimating the response of imaging detectors. Methods: We implemented Directed Sampling (DS), preferentially directing a fraction of emitted optical photons directly towards the detector by altering the isotropic model. The weight of each optical photon is appropriately modified to maintain simulation estimates unbiased. We use a Monte Carlo tool called fastDETECT2 (part of the hybridMANTIS open-source package) for optical transport, modified for VRT. Themore » weight of each photon is calculated as the ratio of original probability (no VRT) and the new probability for a particular direction. For our analysis of bias and efficiency, we use pulse height spectra, point response functions, and Swank factors. We obtain results for a variety of cases including analog (no VRT, isotropic distribution), and DS with 0.2 and 0.8 optical photons directed towards the sensor plane. We used 10,000, 25-keV primaries. Results: The Swank factor for all cases in our simplified model converged fast (within the first 100 primaries) to a stable value of 0.9. The root mean square error per pixel for DS VRT for the point response function between analog and VRT cases was approximately 5e-4. Conclusion: Our preliminary results suggest that DS VRT does not affect the estimate of the mean for the Swank factor. Our findings indicate that it may be possible to design VRTs for imaging detector simulations to increase computational efficiency without introducing bias.« less

Brian: a simulator for spiking neural networks in python.

PubMed

Goodman, Dan; Brette, Romain

2008-01-01

"Brian" is a new simulator for spiking neural networks, written in Python (http://brian. di.ens.fr). It is an intuitive and highly flexible tool for rapidly developing new models, especially networks of single-compartment neurons. In addition to using standard types of neuron models, users can define models by writing arbitrary differential equations in ordinary mathematical notation. Python scientific libraries can also be used for defining models and analysing data. Vectorisation techniques allow efficient simulations despite the overheads of an interpreted language. Brian will be especially valuable for working on non-standard neuron models not easily covered by existing software, and as an alternative to using Matlab or C for simulations. With its easy and intuitive syntax, Brian is also very well suited for teaching computational neuroscience.

Implementing a modeling software for animated protein-complex interactions using a physics simulation library.

PubMed

Ueno, Yutaka; Ito, Shuntaro; Konagaya, Akihiko

2014-12-01

To better understand the behaviors and structural dynamics of proteins within a cell, novel software tools are being developed that can create molecular animations based on the findings of structural biology. This study proposes our method developed based on our prototypes to detect collisions and examine the soft-body dynamics of molecular models. The code was implemented with a software development toolkit for rigid-body dynamics simulation and a three-dimensional graphics library. The essential functions of the target software system included the basic molecular modeling environment, collision detection in the molecular models, and physical simulations of the movement of the model. Taking advantage of recent software technologies such as physics simulation modules and interpreted scripting language, the functions required for accurate and meaningful molecular animation were implemented efficiently.

Multiple shooting shadowing for sensitivity analysis of chaotic dynamical systems

NASA Astrophysics Data System (ADS)

Blonigan, Patrick J.; Wang, Qiqi

2018-02-01

Sensitivity analysis methods are important tools for research and design with simulations. Many important simulations exhibit chaotic dynamics, including scale-resolving turbulent fluid flow simulations. Unfortunately, conventional sensitivity analysis methods are unable to compute useful gradient information for long-time-averaged quantities in chaotic dynamical systems. Sensitivity analysis with least squares shadowing (LSS) can compute useful gradient information for a number of chaotic systems, including simulations of chaotic vortex shedding and homogeneous isotropic turbulence. However, this gradient information comes at a very high computational cost. This paper presents multiple shooting shadowing (MSS), a more computationally efficient shadowing approach than the original LSS approach. Through an analysis of the convergence rate of MSS, it is shown that MSS can have lower memory usage and run time than LSS.

Repartitioning Strategies for Massively Parallel Simulation of Reacting Flow

NASA Astrophysics Data System (ADS)

Pisciuneri, Patrick; Zheng, Angen; Givi, Peyman; Labrinidis, Alexandros; Chrysanthis, Panos

2015-11-01

The majority of parallel CFD simulators partition the domain into equal regions and assign the calculations for a particular region to a unique processor. This type of domain decomposition is vital to the efficiency of the solver. However, as the simulation develops, the workload among the partitions often become uneven (e.g. by adaptive mesh refinement, or chemically reacting regions) and a new partition should be considered. The process of repartitioning adjusts the current partition to evenly distribute the load again. We compare two repartitioning tools: Zoltan, an architecture-agnostic graph repartitioner developed at the Sandia National Laboratories; and Paragon, an architecture-aware graph repartitioner developed at the University of Pittsburgh. The comparative assessment is conducted via simulation of the Taylor-Green vortex flow with chemical reaction.

Enabling parallel simulation of large-scale HPC network systems

DOE PAGES

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.; ...

2016-04-07

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Enabling parallel simulation of large-scale HPC network systems

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

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Improved Clinical Performance and Teamwork of Pediatric Interprofessional Resuscitation Teams With a Simulation-Based Educational Intervention.

PubMed

Gilfoyle, Elaine; Koot, Deanna A; Annear, John C; Bhanji, Farhan; Cheng, Adam; Duff, Jonathan P; Grant, Vincent J; St George-Hyslop, Cecilia E; Delaloye, Nicole J; Kotsakis, Afrothite; McCoy, Carolyn D; Ramsay, Christa E; Weiss, Matthew J; Gottesman, Ronald D

2017-02-01

To measure the effect of a 1-day team training course for pediatric interprofessional resuscitation team members on adherence to Pediatric Advanced Life Support guidelines, team efficiency, and teamwork in a simulated clinical environment. Multicenter prospective interventional study. Four tertiary-care children's hospitals in Canada from June 2011 to January 2015. Interprofessional pediatric resuscitation teams including resident physicians, ICU nurse practitioners, registered nurses, and registered respiratory therapists (n = 300; 51 teams). A 1-day simulation-based team training course was delivered, involving an interactive lecture, group discussions, and four simulated resuscitation scenarios, each followed by a debriefing. The first scenario of the day (PRE) was conducted prior to any team training. The final scenario of the day (POST) was the same scenario, with a slightly modified patient history. All scenarios included standardized distractors designed to elicit and challenge specific teamwork behaviors. Primary outcome measure was change (before and after training) in adherence to Pediatric Advanced Life Support guidelines, as measured by the Clinical Performance Tool. Secondary outcome measures were as follows: 1) change in times to initiation of chest compressions and defibrillation and 2) teamwork performance, as measured by the Clinical Teamwork Scale. Correlation between Clinical Performance Tool and Clinical Teamwork Scale scores was also analyzed. Teams significantly improved Clinical Performance Tool scores (67.3-79.6%; p < 0.0001), time to initiation of chest compressions (60.8-27.1 s; p < 0.0001), time to defibrillation (164.8-122.0 s; p < 0.0001), and Clinical Teamwork Scale scores (56.0-71.8%; p < 0.0001). A positive correlation was found between Clinical Performance Tool and Clinical Teamwork Scale (R = 0.281; p < 0.0001). Participation in a simulation-based team training educational intervention significantly improved surrogate measures of clinical performance, time to initiation of key clinical tasks, and teamwork during simulated pediatric resuscitation. A positive correlation between clinical and teamwork performance suggests that effective teamwork improves clinical performance of resuscitation teams.

Finite Element Modelling and Analysis of Conventional Pultrusion Processes

NASA Astrophysics Data System (ADS)

Akishin, P.; Barkanov, E.; Bondarchuk, A.

2015-11-01

Pultrusion is one of many composite manufacturing techniques and one of the most efficient methods for producing fiber reinforced polymer composite parts with a constant cross-section. Numerical simulation is helpful for understanding the manufacturing process and developing scientific means for the pultrusion tooling design. Numerical technique based on the finite element method has been developed for the simulation of pultrusion processes. It uses the general purpose finite element software ANSYS Mechanical. It is shown that the developed technique predicts the temperature and cure profiles, which are in good agreement with those published in the open literature.

Content addressable memory project

NASA Technical Reports Server (NTRS)

Hall, J. Storrs; Levy, Saul; Smith, Donald E.; Miyake, Keith M.

1992-01-01

A parameterized version of the tree processor was designed and tested (by simulation). The leaf processor design is 90 percent complete. We expect to complete and test a combination of tree and leaf cell designs in the next period. Work is proceeding on algorithms for the computer aided manufacturing (CAM), and once the design is complete we will begin simulating algorithms for large problems. The following topics are covered: (1) the practical implementation of content addressable memory; (2) design of a LEAF cell for the Rutgers CAM architecture; (3) a circuit design tool user's manual; and (4) design and analysis of efficient hierarchical interconnection networks.

Design and Fabrication of Graphene Reinforced Polymer Conductive Patch-Based Inset Fed Microstrip Antenna

NASA Astrophysics Data System (ADS)

Deepak, A.; Kannan, P. Muthu; Shankar, P.

This work explores the design and fabrication of graphene reinforced polyvinylidene fluoride (PVDF) patch-based microstrip antenna. Primarily, antenna was designed at 6GHz frequency and simulation results were obtained using Ansoft HFSS tool. Later fabrication of antenna was carried out with graphene-PVDF films as conducting patch deposited on bakelite substrate and copper as ground plane. Graphene-PVDF films were prepared using solvent casting process. The radiation efficiency of fabricated microstrip patch antenna was 48% entailing it to be adapted as a practically functional antenna. Both simulated and the practical results were compared and analyzed.

Strategy selection in the minority game

NASA Astrophysics Data System (ADS)

D'hulst, R.; Rodgers, G. J.

2000-04-01

We investigate the dynamics of the choice of an active strategy in the minority game. A history distribution is introduced as an analytical tool to study the asymmetry between the two choices offered to the agents. Its properties are studied numerically. It allows us to show that the departure from uniformity in the initial attribution of strategies to the agents is important even in the efficient market. Also, an approximate expression for the variance of the number of agents at one side in the efficient phase is proposed. All the analytical propositions are supported by numerical simulations of the system.

Efficient propagation of the hierarchical equations of motion using the matrix product state method

NASA Astrophysics Data System (ADS)

Shi, Qiang; Xu, Yang; Yan, Yaming; Xu, Meng

2018-05-01

We apply the matrix product state (MPS) method to propagate the hierarchical equations of motion (HEOM). It is shown that the MPS approximation works well in different type of problems, including boson and fermion baths. The MPS method based on the time-dependent variational principle is also found to be applicable to HEOM with over one thousand effective modes. Combining the flexibility of the HEOM in defining the effective modes and the efficiency of the MPS method thus may provide a promising tool in simulating quantum dynamics in condensed phases.

Simulating pad-electrodes with high-definition arrays in transcranial electric stimulation

NASA Astrophysics Data System (ADS)

Kempe, René; Huang, Yu; Parra, Lucas C.

2014-04-01

Objective. Research studies on transcranial electric stimulation, including direct current, often use a computational model to provide guidance on the placing of sponge-electrode pads. However, the expertise and computational resources needed for finite element modeling (FEM) make modeling impractical in a clinical setting. Our objective is to make the exploration of different electrode configurations accessible to practitioners. We provide an efficient tool to estimate current distributions for arbitrary pad configurations while obviating the need for complex simulation software. Approach. To efficiently estimate current distributions for arbitrary pad configurations we propose to simulate pads with an array of high-definition (HD) electrodes and use an efficient linear superposition to then quickly evaluate different electrode configurations. Main results. Numerical results on ten different pad configurations on a normal individual show that electric field intensity simulated with the sampled array deviates from the solutions with pads by only 5% and the locations of peak magnitude fields have a 94% overlap when using a dense array of 336 electrodes. Significance. Computationally intensive FEM modeling of the HD array needs to be performed only once, perhaps on a set of standard heads that can be made available to multiple users. The present results confirm that by using these models one can now quickly and accurately explore and select pad-electrode montages to match a particular clinical need.

A surrogate-based sensitivity quantification and Bayesian inversion of a regional groundwater flow model

NASA Astrophysics Data System (ADS)

Chen, Mingjie; Izady, Azizallah; Abdalla, Osman A.; Amerjeed, Mansoor

2018-02-01

Bayesian inference using Markov Chain Monte Carlo (MCMC) provides an explicit framework for stochastic calibration of hydrogeologic models accounting for uncertainties; however, the MCMC sampling entails a large number of model calls, and could easily become computationally unwieldy if the high-fidelity hydrogeologic model simulation is time consuming. This study proposes a surrogate-based Bayesian framework to address this notorious issue, and illustrates the methodology by inverse modeling a regional MODFLOW model. The high-fidelity groundwater model is approximated by a fast statistical model using Bagging Multivariate Adaptive Regression Spline (BMARS) algorithm, and hence the MCMC sampling can be efficiently performed. In this study, the MODFLOW model is developed to simulate the groundwater flow in an arid region of Oman consisting of mountain-coast aquifers, and used to run representative simulations to generate training dataset for BMARS model construction. A BMARS-based Sobol' method is also employed to efficiently calculate input parameter sensitivities, which are used to evaluate and rank their importance for the groundwater flow model system. According to sensitivity analysis, insensitive parameters are screened out of Bayesian inversion of the MODFLOW model, further saving computing efforts. The posterior probability distribution of input parameters is efficiently inferred from the prescribed prior distribution using observed head data, demonstrating that the presented BMARS-based Bayesian framework is an efficient tool to reduce parameter uncertainties of a groundwater system.

Considerations of MCNP Monte Carlo code to be used as a radiotherapy treatment planning tool.

PubMed

Juste, B; Miro, R; Gallardo, S; Verdu, G; Santos, A

2005-01-01

The present work has simulated the photon and electron transport in a Theratron 780® (MDS Nordion)⁶⁰Co radiotherapy unit, using the Monte Carlo transport code, MCNP (Monte Carlo N-Particle). This project explains mainly the different methodologies carried out to speedup calculations in order to apply this code efficiently in radiotherapy treatment planning.

Multiscale Quantum Mechanics/Molecular Mechanics Simulations with Neural Networks.

PubMed

Shen, Lin; Wu, Jingheng; Yang, Weitao

2016-10-11

Molecular dynamics simulation with multiscale quantum mechanics/molecular mechanics (QM/MM) methods is a very powerful tool for understanding the mechanism of chemical and biological processes in solution or enzymes. However, its computational cost can be too high for many biochemical systems because of the large number of ab initio QM calculations. Semiempirical QM/MM simulations have much higher efficiency. Its accuracy can be improved with a correction to reach the ab initio QM/MM level. The computational cost on the ab initio calculation for the correction determines the efficiency. In this paper we developed a neural network method for QM/MM calculation as an extension of the neural-network representation reported by Behler and Parrinello. With this approach, the potential energy of any configuration along the reaction path for a given QM/MM system can be predicted at the ab initio QM/MM level based on the semiempirical QM/MM simulations. We further applied this method to three reactions in water to calculate the free energy changes. The free-energy profile obtained from the semiempirical QM/MM simulation is corrected to the ab initio QM/MM level with the potential energies predicted with the constructed neural network. The results are in excellent accordance with the reference data that are obtained from the ab initio QM/MM molecular dynamics simulation or corrected with direct ab initio QM/MM potential energies. Compared with the correction using direct ab initio QM/MM potential energies, our method shows a speed-up of 1 or 2 orders of magnitude. It demonstrates that the neural network method combined with the semiempirical QM/MM calculation can be an efficient and reliable strategy for chemical reaction simulations.

Efficient generation of image chips for training deep learning algorithms

NASA Astrophysics Data System (ADS)

Han, Sanghui; Fafard, Alex; Kerekes, John; Gartley, Michael; Ientilucci, Emmett; Savakis, Andreas; Law, Charles; Parhan, Jason; Turek, Matt; Fieldhouse, Keith; Rovito, Todd

2017-05-01

Training deep convolutional networks for satellite or aerial image analysis often requires a large amount of training data. For a more robust algorithm, training data need to have variations not only in the background and target, but also radiometric variations in the image such as shadowing, illumination changes, atmospheric conditions, and imaging platforms with different collection geometry. Data augmentation is a commonly used approach to generating additional training data. However, this approach is often insufficient in accounting for real world changes in lighting, location or viewpoint outside of the collection geometry. Alternatively, image simulation can be an efficient way to augment training data that incorporates all these variations, such as changing backgrounds, that may be encountered in real data. The Digital Imaging and Remote Sensing Image Image Generation (DIRSIG) model is a tool that produces synthetic imagery using a suite of physics-based radiation propagation modules. DIRSIG can simulate images taken from different sensors with variation in collection geometry, spectral response, solar elevation and angle, atmospheric models, target, and background. Simulation of Urban Mobility (SUMO) is a multi-modal traffic simulation tool that explicitly models vehicles that move through a given road network. The output of the SUMO model was incorporated into DIRSIG to generate scenes with moving vehicles. The same approach was used when using helicopters as targets, but with slight modifications. Using the combination of DIRSIG and SUMO, we quickly generated many small images, with the target at the center with different backgrounds. The simulations generated images with vehicles and helicopters as targets, and corresponding images without targets. Using parallel computing, 120,000 training images were generated in about an hour. Some preliminary results show an improvement in the deep learning algorithm when real image training data are augmented with the simulated images, especially when obtaining sufficient real data was particularly challenging.

Assessment of Near-Field Sonic Boom Simulation Tools

NASA Technical Reports Server (NTRS)

Casper, J. H.; Cliff, S. E.; Thomas, S. D.; Park, M. A.; McMullen, M. S.; Melton, J. E.; Durston, D. A.

2008-01-01

A recent study for the Supersonics Project, within the National Aeronautics and Space Administration, has been conducted to assess current in-house capabilities for the prediction of near-field sonic boom. Such capabilities are required to simulate the highly nonlinear flow near an aircraft, wherein a sonic-boom signature is generated. There are many available computational fluid dynamics codes that could be used to provide the near-field flow for a sonic boom calculation. However, such codes have typically been developed for applications involving aerodynamic configuration, for which an efficiently generated computational mesh is usually not optimum for a sonic boom prediction. Preliminary guidelines are suggested to characterize a state-of-the-art sonic boom prediction methodology. The available simulation tools that are best suited to incorporate into that methodology are identified; preliminary test cases are presented in support of the selection. During this phase of process definition and tool selection, parallel research was conducted in an attempt to establish criteria that link the properties of a computational mesh to the accuracy of a sonic boom prediction. Such properties include sufficient grid density near shocks and within the zone of influence, which are achieved by adaptation and mesh refinement strategies. Prediction accuracy is validated by comparison with wind tunnel data.

Computer Aided Battery Engineering Consortium

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

Pesaran, Ahmad

A multi-national lab collaborative team was assembled that includes experts from academia and industry to enhance recently developed Computer-Aided Battery Engineering for Electric Drive Vehicles (CAEBAT)-II battery crush modeling tools and to develop microstructure models for electrode design - both computationally efficient. Task 1. The new Multi-Scale Multi-Domain model framework (GH-MSMD) provides 100x to 1,000x computation speed-up in battery electrochemical/thermal simulation while retaining modularity of particles and electrode-, cell-, and pack-level domains. The increased speed enables direct use of the full model in parameter identification. Task 2. Mechanical-electrochemical-thermal (MECT) models for mechanical abuse simulation were simultaneously coupled, enabling simultaneous modelingmore » of electrochemical reactions during the short circuit, when necessary. The interactions between mechanical failure and battery cell performance were studied, and the flexibility of the model for various batteries structures and loading conditions was improved. Model validation is ongoing to compare with test data from Sandia National Laboratories. The ABDT tool was established in ANSYS. Task 3. Microstructural modeling was conducted to enhance next-generation electrode designs. This 3- year project will validate models for a variety of electrodes, complementing Advanced Battery Research programs. Prototype tools have been developed for electrochemical simulation and geometric reconstruction.« less

Insect transformation with piggyBac: getting the number of injections just right

PubMed Central

Morrison, N. I.; Shimeld, S. M.

2016-01-01

Abstract The insertion of exogenous genetic cargo into insects using transposable elements is a powerful research tool with potential applications in meeting food security and public health challenges facing humanity. piggyBac is the transposable element most commonly utilized for insect germline transformation. The described efficiency of this process is variable in the published literature, and a comprehensive review of transformation efficiency in insects is lacking. This study compared and contrasted all available published data with a comprehensive data set provided by a biotechnology group specializing in insect transformation. Based on analysis of these data, with particular focus on the more complete observational data from the biotechnology group, we designed a decision tool to aid researchers' decision‐making when using piggyBac to transform insects by microinjection. A combination of statistical techniques was used to define appropriate summary statistics of piggyBac transformation efficiency by species and insect order. Publication bias was assessed by comparing the data sets. The bias was assessed using strategies co‐opted from the medical literature. The work culminated in building the Goldilocks decision tool, a Markov‐Chain Monte‐Carlo simulation operated via a graphical interface and providing guidance on best practice for those seeking to transform insects using piggyBac. PMID:27027400

PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks

PubMed Central

Craveur, Pierrick; Joseph, Agnel Praveen; Jallu, Vincent

2017-01-01

This paper describes the development and application of a suite of tools, called PBxplore, to analyze the dynamics and deformability of protein structures using Protein Blocks (PBs). Proteins are highly dynamic macromolecules, and a classical way to analyze their inherent flexibility is to perform molecular dynamics simulations. The advantage of using small structural prototypes such as PBs is to give a good approximation of the local structure of the protein backbone. More importantly, by reducing the conformational complexity of protein structures, PBs allow analysis of local protein deformability which cannot be done with other methods and had been used efficiently in different applications. PBxplore is able to process large amounts of data such as those produced by molecular dynamics simulations. It produces frequencies, entropy and information logo outputs as text and graphics. PBxplore is available at https://github.com/pierrepo/PBxplore and is released under the open-source MIT license. PMID:29177113

Open source Matrix Product States: Opening ways to simulate entangled many-body quantum systems in one dimension

NASA Astrophysics Data System (ADS)

Jaschke, Daniel; Wall, Michael L.; Carr, Lincoln D.

2018-04-01

Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States (MPSs), have attracted interest from different fields of quantum physics ranging from solid state systems to quantum simulators and quantum computing. Our open source MPS code provides the community with a toolset to analyze the statics and dynamics of one-dimensional quantum systems. Here, we present our open source library, Open Source Matrix Product States (OSMPS), of MPS methods implemented in Python and Fortran2003. The library includes tools for ground state calculation and excited states via the variational ansatz. We also support ground states for infinite systems with translational invariance. Dynamics are simulated with different algorithms, including three algorithms with support for long-range interactions. Convenient features include built-in support for fermionic systems and number conservation with rotational U(1) and discrete Z2 symmetries for finite systems, as well as data parallelism with MPI. We explain the principles and techniques used in this library along with examples of how to efficiently use the general interfaces to analyze the Ising and Bose-Hubbard models. This description includes the preparation of simulations as well as dispatching and post-processing of them.

The use of real-time, hardware-in-the-loop simulation in the design and development of the new Hughes HS601 spacecraft attitude control system

NASA Technical Reports Server (NTRS)

Slafer, Loren I.

1989-01-01

Realtime simulation and hardware-in-the-loop testing is being used extensively in all phases of the design, development, and testing of the attitude control system (ACS) for the new Hughes HS601 satellite bus. Realtime, hardware-in-the-loop simulation, integrated with traditional analysis and pure simulation activities is shown to provide a highly efficient and productive overall development program. Implementation of high fidelity simulations of the satellite dynamics and control system algorithms, capable of real-time execution (using applied Dynamics International's System 100), provides a tool which is capable of being integrated with the critical flight microprocessor to create a mixed simulation test (MST). The MST creates a highly accurate, detailed simulated on-orbit test environment, capable of open and closed loop ACS testing, in which the ACS design can be validated. The MST is shown to provide a valuable extension of traditional test methods. A description of the MST configuration is presented, including the spacecraft dynamics simulation model, sensor and actuator emulators, and the test support system. Overall system performance parameters are presented. MST applications are discussed; supporting ACS design, developing on-orbit system performance predictions, flight software development and qualification testing (augmenting the traditional software-based testing), mission planning, and a cost-effective subsystem-level acceptance test. The MST is shown to provide an ideal tool in which the ACS designer can fly the spacecraft on the ground.

Estimating rare events in biochemical systems using conditional sampling.

PubMed

Sundar, V S

2017-01-28

The paper focuses on development of variance reduction strategies to estimate rare events in biochemical systems. Obtaining this probability using brute force Monte Carlo simulations in conjunction with the stochastic simulation algorithm (Gillespie's method) is computationally prohibitive. To circumvent this, important sampling tools such as the weighted stochastic simulation algorithm and the doubly weighted stochastic simulation algorithm have been proposed. However, these strategies require an additional step of determining the important region to sample from, which is not straightforward for most of the problems. In this paper, we apply the subset simulation method, developed as a variance reduction tool in the context of structural engineering, to the problem of rare event estimation in biochemical systems. The main idea is that the rare event probability is expressed as a product of more frequent conditional probabilities. These conditional probabilities are estimated with high accuracy using Monte Carlo simulations, specifically the Markov chain Monte Carlo method with the modified Metropolis-Hastings algorithm. Generating sample realizations of the state vector using the stochastic simulation algorithm is viewed as mapping the discrete-state continuous-time random process to the standard normal random variable vector. This viewpoint opens up the possibility of applying more sophisticated and efficient sampling schemes developed elsewhere to problems in stochastic chemical kinetics. The results obtained using the subset simulation method are compared with existing variance reduction strategies for a few benchmark problems, and a satisfactory improvement in computational time is demonstrated.

Electron-beam-ion-source (EBIS) modeling progress at FAR-TECH, Inc

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

Kim, J. S., E-mail: kim@far-tech.com; Zhao, L., E-mail: kim@far-tech.com; Spencer, J. A., E-mail: kim@far-tech.com

FAR-TECH, Inc. has been developing a numerical modeling tool for Electron-Beam-Ion-Sources (EBISs). The tool consists of two codes. One is the Particle-Beam-Gun-Simulation (PBGUNS) code to simulate a steady state electron beam and the other is the EBIS-Particle-In-Cell (EBIS-PIC) code to simulate ion charge breeding with the electron beam. PBGUNS, a 2D (r,z) electron gun and ion source simulation code, has been extended for efficient modeling of EBISs and the work was presented previously. EBIS-PIC is a space charge self-consistent PIC code and is written to simulate charge breeding in an axisymmetric 2D (r,z) device allowing for full three-dimensional ion dynamics.more » This 2D code has been successfully benchmarked with Test-EBIS measurements at Brookhaven National Laboratory. For long timescale (< tens of ms) ion charge breeding, the 2D EBIS-PIC simulations take a long computational time making the simulation less practical. Most of the EBIS charge breeding, however, may be modeled in 1D (r) as the axial dependence of the ion dynamics may be ignored in the trap. Where 1D approximations are valid, simulations of charge breeding in an EBIS over long time scales become possible, using EBIS-PIC together with PBGUNS. Initial 1D results are presented. The significance of the magnetic field to ion dynamics, ion cooling effects due to collisions with neutral gas, and the role of Coulomb collisions are presented.« less

Spinoff 2013

NASA Technical Reports Server (NTRS)

2014-01-01

Topics covered include: Innovative Software Tools Measure Behavioral Alertness; Miniaturized, Portable Sensors Monitor Metabolic Health; Patient Simulators Train Emergency Caregivers; Solar Refrigerators Store Life-Saving Vaccines; Monitors Enable Medication Management in Patients' Homes; Handheld Diagnostic Device Delivers Quick Medical Readings; Experiments Result in Safer, Spin-Resistant Aircraft; Interfaces Visualize Data for Airline Safety, Efficiency; Data Mining Tools Make Flights Safer, More Efficient; NASA Standards Inform Comfortable Car Seats; Heat Shield Paves the Way for Commercial Space; Air Systems Provide Life Support to Miners; Coatings Preserve Metal, Stone, Tile, and Concrete; Robots Spur Software That Lends a Hand; Cloud-Based Data Sharing Connects Emergency Managers; Catalytic Converters Maintain Air Quality in Mines; NASA-Enhanced Water Bottles Filter Water on the Go; Brainwave Monitoring Software Improves Distracted Minds; Thermal Materials Protect Priceless, Personal Keepsakes; Home Air Purifiers Eradicate Harmful Pathogens; Thermal Materials Drive Professional Apparel Line; Radiant Barriers Save Energy in Buildings; Open Source Initiative Powers Real-Time Data Streams; Shuttle Engine Designs Revolutionize Solar Power; Procedure-Authoring Tool Improves Safety on Oil Rigs; Satellite Data Aid Monitoring of Nation's Forests; Mars Technologies Spawn Durable Wind Turbines; Programs Visualize Earth and Space for Interactive Education; Processor Units Reduce Satellite Construction Costs; Software Accelerates Computing Time for Complex Math; Simulation Tools Prevent Signal Interference on Spacecraft; Software Simplifies the Sharing of Numerical Models; Virtual Machine Language Controls Remote Devices; Micro-Accelerometers Monitor Equipment Health; Reactors Save Energy, Costs for Hydrogen Production; Cameras Monitor Spacecraft Integrity to Prevent Failures; Testing Devices Garner Data on Insulation Performance; Smart Sensors Gather Information for Machine Diagnostics; Oxygen Sensors Monitor Bioreactors and Ensure Health and Safety; Vision Algorithms Catch Defects in Screen Displays; and Deformable Mirrors Capture Exoplanet Data, Reflect Lasers.

Interactive Visual Analysis within Dynamic Ocean Models

NASA Astrophysics Data System (ADS)

Butkiewicz, T.

2012-12-01

The many observation and simulation based ocean models available today can provide crucial insights for all fields of marine research and can serve as valuable references when planning data collection missions. However, the increasing size and complexity of these models makes leveraging their contents difficult for end users. Through a combination of data visualization techniques, interactive analysis tools, and new hardware technologies, the data within these models can be made more accessible to domain scientists. We present an interactive system that supports exploratory visual analysis within large-scale ocean flow models. The currents and eddies within the models are illustrated using effective, particle-based flow visualization techniques. Stereoscopic displays and rendering methods are employed to ensure that the user can correctly perceive the complex 3D structures of depth-dependent flow patterns. Interactive analysis tools are provided which allow the user to experiment through the introduction of their customizable virtual dye particles into the models to explore regions of interest. A multi-touch interface provides natural, efficient interaction, with custom multi-touch gestures simplifying the otherwise challenging tasks of navigating and positioning tools within a 3D environment. We demonstrate the potential applications of our visual analysis environment with two examples of real-world significance: Firstly, an example of using customized particles with physics-based behaviors to simulate pollutant release scenarios, including predicting the oil plume path for the 2010 Deepwater Horizon oil spill disaster. Secondly, an interactive tool for plotting and revising proposed autonomous underwater vehicle mission pathlines with respect to the surrounding flow patterns predicted by the model; as these survey vessels have extremely limited energy budgets, designing more efficient paths allows for greater survey areas.

System analysis tools for an ELT at ESO

NASA Astrophysics Data System (ADS)

Mueller, Michael; Koch, Franz

2006-06-01

Engineering of complex, large scale systems like the ELT designs currently investigated and developed in Europe and Northern America require powerful and sophisticated tools within specific technical disciplines such as mechanics, optics and control engineering. However, even analyzing a certain component of the telescope like the telescope structure necessitates a system approach to evaluate the structural effects onto the optical performance. This paper shows several software tools developed by the European Southern Observatory (ESO) which focus onto the system approach in the analyses: Using modal results of a finite element analysis the SMI-toolbox allows an easy generation of structural models with different sizes and levels of accuracy for the control design and closed-loop simulations. The optical modeling code BeamWarrior was developed by ESO and Astrium GmbH, Germany) especially for integrated modeling and interfering with a structural model. Within BeamWarrior displacements and deformations can be applied in an arbitrary coordinate system, and hence also in the global coordinates of the FE model avoiding error prone transformations. In addition to this, a sparse state space model object was developed for Matlab to gain in computational efficiency and reduced memory requirements due to the sparsity pattern of both the structural models and the control architecture. As one result these tools allow building an integrated model in order to reliably simulate interactions, cross-coupling effects, system responses, and to evaluate global performance. In order to evaluate disturbance effects on the optical performance in openloop more efficiently, an optical evaluation toolbox was built in the FE software ANSYS which performs Zernike decomposition and best-fit computation of the deformations directly in the FE analysis.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model.

PubMed

Neic, Aurel; Campos, Fernando O; Prassl, Anton J; Niederer, Steven A; Bishop, Martin J; Vigmond, Edward J; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model

NASA Astrophysics Data System (ADS)

Neic, Aurel; Campos, Fernando O.; Prassl, Anton J.; Niederer, Steven A.; Bishop, Martin J.; Vigmond, Edward J.; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Assessment of COTS IR image simulation tools for ATR development

NASA Astrophysics Data System (ADS)

Seidel, Heiko; Stahl, Christoph; Bjerkeli, Frode; Skaaren-Fystro, Paal

2005-05-01

Following the tendency of increased use of imaging sensors in military aircraft, future fighter pilots will need onboard artificial intelligence e.g. ATR for aiding them in image interpretation and target designation. The European Aeronautic Defence and Space Company (EADS) in Germany has developed an advanced method for automatic target recognition (ATR) which is based on adaptive neural networks. This ATR method can assist the crew of military aircraft like the Eurofighter in sensor image monitoring and thereby reduce the workload in the cockpit and increase the mission efficiency. The EADS ATR approach can be adapted for imagery of visual, infrared and SAR sensors because of the training-based classifiers of the ATR method. For the optimal adaptation of these classifiers they have to be trained with appropriate and sufficient image data. The training images must show the target objects from different aspect angles, ranges, environmental conditions, etc. Incomplete training sets lead to a degradation of classifier performance. Additionally, ground truth information i.e. scenario conditions like class type and position of targets is necessary for the optimal adaptation of the ATR method. In Summer 2003, EADS started a cooperation with Kongsberg Defence & Aerospace (KDA) from Norway. The EADS/KDA approach is to provide additional image data sets for training-based ATR through IR image simulation. The joint study aims to investigate the benefits of enhancing incomplete training sets for classifier adaptation by simulated synthetic imagery. EADS/KDA identified the requirements of a commercial-off-the-shelf IR simulation tool capable of delivering appropriate synthetic imagery for ATR development. A market study of available IR simulation tools and suppliers was performed. After that the most promising tool was benchmarked according to several criteria e.g. thermal emission model, sensor model, targets model, non-radiometric image features etc., resulting in a recommendation. The synthetic image data that are used for the investigation are generated using the recommended tool. Within the scope of this study, ATR performance on IR imagery using classifiers trained on real, synthetic and mixed image sets was evaluated. The performance of the adapted classifiers is assessed using recorded IR imagery with known ground-truth and recommendations are given for the use of COTS IR image simulation tools for ATR development.

Evaluation of Intersection Traffic Control Measures through Simulation

NASA Astrophysics Data System (ADS)

Asaithambi, Gowri; Sivanandan, R.

2015-12-01

Modeling traffic flow is stochastic in nature due to randomness in variables such as vehicle arrivals and speeds. Due to this and due to complex vehicular interactions and their manoeuvres, it is extremely difficult to model the traffic flow through analytical methods. To study this type of complex traffic system and vehicle interactions, simulation is considered as an effective tool. Application of homogeneous traffic models to heterogeneous traffic may not be able to capture the complex manoeuvres and interactions in such flows. Hence, a microscopic simulation model for heterogeneous traffic is developed using object oriented concepts. This simulation model acts as a tool for evaluating various control measures at signalized intersections. The present study focuses on the evaluation of Right Turn Lane (RTL) and Channelised Left Turn Lane (CLTL). A sensitivity analysis was performed to evaluate RTL and CLTL by varying the approach volumes, turn proportions and turn lane lengths. RTL is found to be advantageous only up to certain approach volumes and right-turn proportions, beyond which it is counter-productive. CLTL is found to be advantageous for lower approach volumes for all turn proportions, signifying the benefits of CLTL. It is counter-productive for higher approach volume and lower turn proportions. This study pinpoints the break-even points for various scenarios. The developed simulation model can be used as an appropriate intersection lane control tool for enhancing the efficiency of flow at intersections. This model can also be employed for scenario analysis and can be valuable to field traffic engineers in implementing vehicle-type based and lane-based traffic control measures.

Fully Parallel MHD Stability Analysis Tool

NASA Astrophysics Data System (ADS)

Svidzinski, Vladimir; Galkin, Sergei; Kim, Jin-Soo; Liu, Yueqiang

2014-10-01

Progress on full parallelization of the plasma stability code MARS will be reported. MARS calculates eigenmodes in 2D axisymmetric toroidal equilibria in MHD-kinetic plasma models. It is a powerful tool for studying MHD and MHD-kinetic instabilities and it is widely used by fusion community. Parallel version of MARS is intended for simulations on local parallel clusters. It will be an efficient tool for simulation of MHD instabilities with low, intermediate and high toroidal mode numbers within both fluid and kinetic plasma models, already implemented in MARS. Parallelization of the code includes parallelization of the construction of the matrix for the eigenvalue problem and parallelization of the inverse iterations algorithm, implemented in MARS for the solution of the formulated eigenvalue problem. Construction of the matrix is parallelized by distributing the load among processors assigned to different magnetic surfaces. Parallelization of the solution of the eigenvalue problem is made by repeating steps of the present MARS algorithm using parallel libraries and procedures. Initial results of the code parallelization will be reported. Work is supported by the U.S. DOE SBIR program.

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

Kitanidis, Peter

As large-scale, commercial storage projects become operational, the problem of utilizing information from diverse sources becomes more critically important. In this project, we developed, tested, and applied an advanced joint data inversion system for CO 2 storage modeling with large data sets for use in site characterization and real-time monitoring. Emphasis was on the development of advanced and efficient computational algorithms for joint inversion of hydro-geophysical data, coupled with state-of-the-art forward process simulations. The developed system consists of (1) inversion tools using characterization data, such as 3D seismic survey (amplitude images), borehole log and core data, as well as hydraulic,more » tracer and thermal tests before CO 2 injection, (2) joint inversion tools for updating the geologic model with the distribution of rock properties, thus reducing uncertainty, using hydro-geophysical monitoring data, and (3) highly efficient algorithms for directly solving the dense or sparse linear algebra systems derived from the joint inversion. The system combines methods from stochastic analysis, fast linear algebra, and high performance computing. The developed joint inversion tools have been tested through synthetic CO 2 storage examples.« less

Numerical Simulation of Rocket Exhaust Interaction with Lunar Soil

NASA Technical Reports Server (NTRS)

Liever, Peter; Tosh, Abhijit; Curtis, Jennifer

2012-01-01

This technology development originated from the need to assess the debris threat resulting from soil material erosion induced by landing spacecraft rocket plume impingement on extraterrestrial planetary surfaces. The impact of soil debris was observed to be highly detrimental during NASA s Apollo lunar missions and will pose a threat for any future landings on the Moon, Mars, and other exploration targets. The innovation developed under this program provides a simulation tool that combines modeling of the diverse disciplines of rocket plume impingement gas dynamics, granular soil material liberation, and soil debris particle kinetics into one unified simulation system. The Unified Flow Solver (UFS) developed by CFDRC enabled the efficient, seamless simulation of mixed continuum and rarefied rocket plume flow utilizing a novel direct numerical simulation technique of the Boltzmann gas dynamics equation. The characteristics of the soil granular material response and modeling of the erosion and liberation processes were enabled through novel first principle-based granular mechanics models developed by the University of Florida specifically for the highly irregularly shaped and cohesive lunar regolith material. These tools were integrated into a unique simulation system that accounts for all relevant physics aspects: (1) Modeling of spacecraft rocket plume impingement flow under lunar vacuum environment resulting in a mixed continuum and rarefied flow; (2) Modeling of lunar soil characteristics to capture soil-specific effects of particle size and shape composition, soil layer cohesion and granular flow physics; and (3) Accurate tracking of soil-borne debris particles beginning with aerodynamically driven motion inside the plume to purely ballistic motion in lunar far field conditions. In the earlier project phase of this innovation, the capabilities of the UFS for mixed continuum and rarefied flow situations were validated and demonstrated for lunar lander rocket plume flow impingement under lunar vacuum conditions. Applications and improvements to the granular flow simulation tools contributed by the University of Florida were tested against Earth environment experimental results. Requirements for developing, validating, and demonstrating this solution environment were clearly identified, and an effective second phase execution plan was devised. In this phase, the physics models were refined and fully integrated into a production-oriented simulation tool set. Three-dimensional simulations of Apollo Lunar Excursion Module (LEM) and Altair landers (including full-scale lander geometry) established the practical applicability of the UFS simulation approach and its advanced performance level for large-scale realistic problems.

Development of an evolutionary simulator and an overall control system for intelligent wheelchair

NASA Astrophysics Data System (ADS)

Imai, Makoto; Kawato, Koji; Hamagami, Tomoki; Hirata, Hironori

The goal of this research is to develop an intelligent wheelchair (IWC) system which aids an indoor safe mobility for elderly and disabled people with a new conceptual architecture which realizes autonomy, cooperativeness, and a collaboration behavior. In order to develop the IWC system in real environment, we need design-tools and flexible architecture. In particular, as more significant ones, this paper describes two key techniques which are an evolutionary simulation and an overall control mechanism. The evolutionary simulation technique corrects the error between the virtual environment in a simulator and real one in during the learning of an IWC agent, and coevolves with the agent. The overall control mechanism is implemented with subsumption architecture which is employed in an autonomous robot controller. By using these techniques in both simulations and experiments, we confirm that our IWC system acquires autonomy, cooperativeness, and a collaboration behavior efficiently.

SNM-DAT: Simulation of a heterogeneous network for nuclear border security

NASA Astrophysics Data System (ADS)

Nemzek, R.; Kenyon, G.; Koehler, A.; Lee, D. M.; Priedhorsky, W.; Raby, E. Y.

2007-08-01

We approach the problem of detecting Special Nuclear Material (SNM) smuggling across open borders by modeling a heterogeneous sensor network using an agent-based simulation. Our simulation SNM Data Analysis Tool (SNM-DAT) combines fixed seismic, metal, and radiation detectors with a mobile gamma spectrometer. Decision making within the simulation determines threat levels by combined signatures. The spectrometer is a limited-availability asset, and is only deployed for substantial threats. "Crossers" can be benign or carrying shielded SNM. Signatures and sensors are physics based, allowing us to model realistic sensor networks. The heterogeneous network provides great gains in detection efficiency compared to a radiation-only system. We can improve the simulation through better sensor and terrain models, additional signatures, and crossers that mimic actual trans-border traffic. We expect further gains in our ability to design sensor networks as we learn the emergent properties of heterogeneous detection, and potential adversary responses.

The impact of social context on learning and cognitive demands for interactive virtual human simulations

PubMed Central

Lyons, Rebecca; Johnson, Teresa R.; Khalil, Mohammed K.

2014-01-01

Interactive virtual human (IVH) simulations offer a novel method for training skills involving person-to-person interactions. This article examines the effectiveness of an IVH simulation for teaching medical students to assess rare cranial nerve abnormalities in both individual and small-group learning contexts. Individual (n = 26) and small-group (n = 30) interaction with the IVH system was manipulated to examine the influence on learning, learner engagement, perceived cognitive demands of the learning task, and instructional efficiency. Results suggested the IVH activity was an equally effective and engaging instructional tool in both learning structures, despite learners in the group learning contexts having to share hands-on access to the simulation interface. Participants in both conditions demonstrated a significant increase in declarative knowledge post-training. Operation of the IVH simulation technology imposed moderate cognitive demand but did not exceed the demands of the task content or appear to impede learning. PMID:24883241

Evaluation of the Terminal Precision Scheduling and Spacing System for Near-Term NAS Application

NASA Technical Reports Server (NTRS)

Thipphavong, Jane; Martin, Lynne Hazel; Swenson, Harry N.; Lin, Paul; Nguyen, Jimmy

2012-01-01

NASA has developed a capability for terminal area precision scheduling and spacing (TAPSS) to provide higher capacity and more efficiently manage arrivals during peak demand periods. This advanced technology is NASA's vision for the NextGen terminal metering capability. A set of human-in-the-loop experiments was conducted to evaluate the performance of the TAPSS system for near-term implementation. The experiments evaluated the TAPSS system under the current terminal routing infrastructure to validate operational feasibility. A second goal of the study was to measure the benefit of the Center and TRACON advisory tools to help prioritize the requirements for controller radar display enhancements. Simulation results indicate that using the TAPSS system provides benefits under current operations, supporting a 10% increase in airport throughput. Enhancements to Center decision support tools had limited impact on improving the efficiency of terminal operations, but did provide more fuel-efficient advisories to achieve scheduling conformance within 20 seconds. The TRACON controller decision support tools were found to provide the most benefit, by improving the precision in schedule conformance to within 20 seconds, reducing the number of arrivals having lateral path deviations by 50% and lowering subjective controller workload. Overall, the TAPSS system was found to successfully develop an achievable terminal arrival metering plan that was sustainable under heavy traffic demand levels and reduce the complexity of terminal operations when coupled with the use of the terminal controller advisory tools.

Approximate Algorithms for Computing Spatial Distance Histograms with Accuracy Guarantees

PubMed Central

Grupcev, Vladimir; Yuan, Yongke; Tu, Yi-Cheng; Huang, Jin; Chen, Shaoping; Pandit, Sagar; Weng, Michael

2014-01-01

Particle simulation has become an important research tool in many scientific and engineering fields. Data generated by such simulations impose great challenges to database storage and query processing. One of the queries against particle simulation data, the spatial distance histogram (SDH) query, is the building block of many high-level analytics, and requires quadratic time to compute using a straightforward algorithm. Previous work has developed efficient algorithms that compute exact SDHs. While beating the naive solution, such algorithms are still not practical in processing SDH queries against large-scale simulation data. In this paper, we take a different path to tackle this problem by focusing on approximate algorithms with provable error bounds. We first present a solution derived from the aforementioned exact SDH algorithm, and this solution has running time that is unrelated to the system size N. We also develop a mathematical model to analyze the mechanism that leads to errors in the basic approximate algorithm. Our model provides insights on how the algorithm can be improved to achieve higher accuracy and efficiency. Such insights give rise to a new approximate algorithm with improved time/accuracy tradeoff. Experimental results confirm our analysis. PMID:24693210

Efficiency Benefits Using the Terminal Area Precision Scheduling and Spacing System

NASA Technical Reports Server (NTRS)

Thipphavong, Jane; Swenson, Harry N.; Lin, Paul; Seo, Anthony Y.; Bagasol, Leonard N.

2011-01-01

NASA has developed a capability for terminal area precision scheduling and spacing (TAPSS) to increase the use of fuel-efficient arrival procedures during periods of traffic congestion at a high-density airport. Sustained use of fuel-efficient procedures throughout the entire arrival phase of flight reduces overall fuel burn, greenhouse gas emissions and noise pollution. The TAPSS system is a 4D trajectory-based strategic planning and control tool that computes schedules and sequences for arrivals to facilitate optimal profile descents. This paper focuses on quantifying the efficiency benefits associated with using the TAPSS system, measured by reduction of level segments during aircraft descent and flight distance and time savings. The TAPSS system was tested in a series of human-in-the-loop simulations and compared to current procedures. Compared to the current use of the TMA system, simulation results indicate a reduction of total level segment distance by 50% and flight distance and time savings by 7% in the arrival portion of flight (200 nm from the airport). The TAPSS system resulted in aircraft maintaining continuous descent operations longer and with more precision, both achieved under heavy traffic demand levels.

A 3D staggered-grid finite difference scheme for poroelastic wave equation

NASA Astrophysics Data System (ADS)

Zhang, Yijie; Gao, Jinghuai

2014-10-01

Three dimensional numerical modeling has been a viable tool for understanding wave propagation in real media. The poroelastic media can better describe the phenomena of hydrocarbon reservoirs than acoustic and elastic media. However, the numerical modeling in 3D poroelastic media demands significantly more computational capacity, including both computational time and memory. In this paper, we present a 3D poroelastic staggered-grid finite difference (SFD) scheme. During the procedure, parallel computing is implemented to reduce the computational time. Parallelization is based on domain decomposition, and communication between processors is performed using message passing interface (MPI). Parallel analysis shows that the parallelized SFD scheme significantly improves the simulation efficiency and 3D decomposition in domain is the most efficient. We also analyze the numerical dispersion and stability condition of the 3D poroelastic SFD method. Numerical results show that the 3D numerical simulation can provide a real description of wave propagation.

Rapid Parallel Calculation of shell Element Based On GPU

NASA Astrophysics Data System (ADS)

Wanga, Jian Hua; Lia, Guang Yao; Lib, Sheng; Li, Guang Yao

2010-06-01

Long computing time bottlenecked the application of finite element. In this paper, an effective method to speed up the FEM calculation by using the existing modern graphic processing unit and programmable colored rendering tool was put forward, which devised the representation of unit information in accordance with the features of GPU, converted all the unit calculation into film rendering process, solved the simulation work of all the unit calculation of the internal force, and overcame the shortcomings of lowly parallel level appeared ever before when it run in a single computer. Studies shown that this method could improve efficiency and shorten calculating hours greatly. The results of emulation calculation about the elasticity problem of large number cells in the sheet metal proved that using the GPU parallel simulation calculation was faster than using the CPU's. It is useful and efficient to solve the project problems in this way.

Quantifying Economic and Environmental Impacts of Transportation Network Disruptions with Dynamic Traffic Simulation

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

Shekar, Venkateswaran; Fiondella, Lance; Chatterjee, Samrat

Several transportation network vulnerability models have been proposed. However, most only consider disruptions as a static snapshot in time and the impact on total travel time. These approaches cannot consider the time-varying nature of travel demand nor other undesirable outcomes that follow from transportation network disruptions. This paper proposes an algorithmic approach to assess the vulnerability of a transportation network that considers the time-varying demand with an open source dynamic transportation simulation tool. The open source nature of the tool allows us to systematically consider many disruption scenarios and quantitatively compare their relative criticality. This is far more efficient thanmore » traditional approaches which would require days or weeks of a transportation engineers time to manually set up, run, and assess these simulations. In addition to travel time, we also collect statistics on additional fuel consumed and the corresponding carbon dioxide emissions. Our approach, thus provides a more systematic approach that is both time-varying and can consider additional negative consequences of disruptions for decision makers to evaluate.« less

A programming language for composable DNA circuits

PubMed Central

Phillips, Andrew; Cardelli, Luca

2009-01-01

Recently, a range of information-processing circuits have been implemented in DNA by using strand displacement as their main computational mechanism. Examples include digital logic circuits and catalytic signal amplification circuits that function as efficient molecular detectors. As new paradigms for DNA computation emerge, the development of corresponding languages and tools for these paradigms will help to facilitate the design of DNA circuits and their automatic compilation to nucleotide sequences. We present a programming language for designing and simulating DNA circuits in which strand displacement is the main computational mechanism. The language includes basic elements of sequence domains, toeholds and branch migration, and assumes that strands do not possess any secondary structure. The language is used to model and simulate a variety of circuits, including an entropy-driven catalytic gate, a simple gate motif for synthesizing large-scale circuits and a scheme for implementing an arbitrary system of chemical reactions. The language is a first step towards the design of modelling and simulation tools for DNA strand displacement, which complements the emergence of novel implementation strategies for DNA computing. PMID:19535415

Designing new guides and instruments using McStas

NASA Astrophysics Data System (ADS)

Farhi, E.; Hansen, T.; Wildes, A.; Ghosh, R.; Lefmann, K.

With the increasing complexity of modern neutron-scattering instruments, the need for powerful tools to optimize their geometry and physical performances (flux, resolution, divergence, etc.) has become essential. As the usual analytical methods reach their limit of validity in the description of fine effects, the use of Monte Carlo simulations, which can handle these latter, has become widespread. The McStas program was developed at Riso National Laboratory in order to provide neutron scattering instrument scientists with an efficient and flexible tool for building Monte Carlo simulations of guides, neutron optics and instruments [1]. To date, the McStas package has been extensively used at the Institut Laue-Langevin, Grenoble, France, for various studies including cold and thermal guides with ballistic geometry, diffractometers, triple-axis, backscattering and time-of-flight spectrometers [2]. In this paper, we present some simulation results concerning different guide geometries that may be used in the future at the Institut Laue-Langevin. Gain factors ranging from two to five may be obtained for the integrated intensities, depending on the exact geometry, the guide coatings and the source.

A programming language for composable DNA circuits.

PubMed

Phillips, Andrew; Cardelli, Luca

2009-08-06

Recently, a range of information-processing circuits have been implemented in DNA by using strand displacement as their main computational mechanism. Examples include digital logic circuits and catalytic signal amplification circuits that function as efficient molecular detectors. As new paradigms for DNA computation emerge, the development of corresponding languages and tools for these paradigms will help to facilitate the design of DNA circuits and their automatic compilation to nucleotide sequences. We present a programming language for designing and simulating DNA circuits in which strand displacement is the main computational mechanism. The language includes basic elements of sequence domains, toeholds and branch migration, and assumes that strands do not possess any secondary structure. The language is used to model and simulate a variety of circuits, including an entropy-driven catalytic gate, a simple gate motif for synthesizing large-scale circuits and a scheme for implementing an arbitrary system of chemical reactions. The language is a first step towards the design of modelling and simulation tools for DNA strand displacement, which complements the emergence of novel implementation strategies for DNA computing.

Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond.

PubMed

Scemama, Anthony; Caffarel, Michel; Oseret, Emmanuel; Jalby, William

2013-04-30

Various strategies to implement efficiently quantum Monte Carlo (QMC) simulations for large chemical systems are presented. These include: (i) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel scheme is based on the use of the highly localized character of atomic Gaussian basis functions (not the molecular orbitals as usually done), (ii) the possibility of keeping the memory footprint minimal, (iii) the important enhancement of single-core performance when efficient optimization tools are used, and (iv) the definition of a universal, dynamic, fault-tolerant, and load-balanced framework adapted to all kinds of computational platforms (massively parallel machines, clusters, or distributed grids). These strategies have been implemented in the QMC=Chem code developed at Toulouse and illustrated with numerical applications on small peptides of increasing sizes (158, 434, 1056, and 1731 electrons). Using 10-80 k computing cores of the Curie machine (GENCI-TGCC-CEA, France), QMC=Chem has been shown to be capable of running at the petascale level, thus demonstrating that for this machine a large part of the peak performance can be achieved. Implementation of large-scale QMC simulations for future exascale platforms with a comparable level of efficiency is expected to be feasible. Copyright © 2013 Wiley Periodicals, Inc.

Immersed smoothed finite element method for fluid-structure interaction simulation of aortic valves

NASA Astrophysics Data System (ADS)

Yao, Jianyao; Liu, G. R.; Narmoneva, Daria A.; Hinton, Robert B.; Zhang, Zhi-Qian

2012-12-01

This paper presents a novel numerical method for simulating the fluid-structure interaction (FSI) problems when blood flows over aortic valves. The method uses the immersed boundary/element method and the smoothed finite element method and hence it is termed as IS-FEM. The IS-FEM is a partitioned approach and does not need a body-fitted mesh for FSI simulations. It consists of three main modules: the fluid solver, the solid solver and the FSI force solver. In this work, the blood is modeled as incompressible viscous flow and solved using the characteristic-based-split scheme with FEM for spacial discretization. The leaflets of the aortic valve are modeled as Mooney-Rivlin hyperelastic materials and solved using smoothed finite element method (or S-FEM). The FSI force is calculated on the Lagrangian fictitious fluid mesh that is identical to the moving solid mesh. The octree search and neighbor-to-neighbor schemes are used to detect efficiently the FSI pairs of fluid and solid cells. As an example, a 3D idealized model of aortic valve is modeled, and the opening process of the valve is simulated using the proposed IS-FEM. Numerical results indicate that the IS-FEM can serve as an efficient tool in the study of aortic valve dynamics to reveal the details of stresses in the aortic valves, the flow velocities in the blood, and the shear forces on the interfaces. This tool can also be applied to animal models studying disease processes and may ultimately translate to a new adaptive methods working with magnetic resonance images, leading to improvements on diagnostic and prognostic paradigms, as well as surgical planning, in the care of patients.

An efficient and scalable graph modeling approach for capturing information at different levels in next generation sequencing reads

PubMed Central

2013-01-01

Background Next generation sequencing technologies have greatly advanced many research areas of the biomedical sciences through their capability to generate massive amounts of genetic information at unprecedented rates. The advent of next generation sequencing has led to the development of numerous computational tools to analyze and assemble the millions to billions of short sequencing reads produced by these technologies. While these tools filled an important gap, current approaches for storing, processing, and analyzing short read datasets generally have remained simple and lack the complexity needed to efficiently model the produced reads and assemble them correctly. Results Previously, we presented an overlap graph coarsening scheme for modeling read overlap relationships on multiple levels. Most current read assembly and analysis approaches use a single graph or set of clusters to represent the relationships among a read dataset. Instead, we use a series of graphs to represent the reads and their overlap relationships across a spectrum of information granularity. At each information level our algorithm is capable of generating clusters of reads from the reduced graph, forming an integrated graph modeling and clustering approach for read analysis and assembly. Previously we applied our algorithm to simulated and real 454 datasets to assess its ability to efficiently model and cluster next generation sequencing data. In this paper we extend our algorithm to large simulated and real Illumina datasets to demonstrate that our algorithm is practical for both sequencing technologies. Conclusions Our overlap graph theoretic algorithm is able to model next generation sequencing reads at various levels of granularity through the process of graph coarsening. Additionally, our model allows for efficient representation of the read overlap relationships, is scalable for large datasets, and is practical for both Illumina and 454 sequencing technologies. PMID:24564333

Adjoint Sensitivity Analysis for Scale-Resolving Turbulent Flow Solvers

NASA Astrophysics Data System (ADS)

Blonigan, Patrick; Garai, Anirban; Diosady, Laslo; Murman, Scott

2017-11-01

Adjoint-based sensitivity analysis methods are powerful design tools for engineers who use computational fluid dynamics. In recent years, these engineers have started to use scale-resolving simulations like large-eddy simulations (LES) and direct numerical simulations (DNS), which resolve more scales in complex flows with unsteady separation and jets than the widely-used Reynolds-averaged Navier-Stokes (RANS) methods. However, the conventional adjoint method computes large, unusable sensitivities for scale-resolving simulations, which unlike RANS simulations exhibit the chaotic dynamics inherent in turbulent flows. Sensitivity analysis based on least-squares shadowing (LSS) avoids the issues encountered by conventional adjoint methods, but has a high computational cost even for relatively small simulations. The following talk discusses a more computationally efficient formulation of LSS, ``non-intrusive'' LSS, and its application to turbulent flows simulated with a discontinuous-Galkerin spectral-element-method LES/DNS solver. Results are presented for the minimal flow unit, a turbulent channel flow with a limited streamwise and spanwise domain.

Virtual reality based surgical assistance and training system for long duration space missions.

PubMed

Montgomery, K; Thonier, G; Stephanides, M; Schendel, S

2001-01-01

Access to medical care during long duration space missions is extremely important. Numerous unanticipated medical problems will need to be addressed promptly and efficiently. Although telemedicine provides a convenient tool for remote diagnosis and treatment, it is impractical due to the long delay between data transmission and reception to Earth. While a well-trained surgeon-internist-astronaut would be an essential addition to the crew, the vast number of potential medical problems necessitate instant access to computerized, skill-enhancing and diagnostic tools. A functional prototype of a virtual reality based surgical training and assistance tool was created at our center, using low-power, small, lightweight components that would be easy to transport on a space mission. The system consists of a tracked, head-mounted display, a computer system, and a number of tracked surgical instruments. The software provides a real-time surgical simulation system with integrated monitoring and information retrieval and a voice input/output subsystem. Initial medical content for the system has been created, comprising craniofacial, hand, inner ear, and general anatomy, as well as information on a number of surgical procedures and techniques. One surgical specialty in particular, microsurgery, was provided as a full simulation due to its long training requirements, significant impact on result due to experience, and likelihood for need. However, the system is easily adapted to realistically simulate a large number of other surgical procedures. By providing a general system for surgical simulation and assistance, the astronaut-surgeon can maintain their skills, acquire new specialty skills, and use tools for computer-based surgical planning and assistance to minimize overall crew and mission risk.

Real-time 3D radiation risk assessment supporting simulation of work in nuclear environments.

PubMed

Szőke, I; Louka, M N; Bryntesen, T R; Bratteli, J; Edvardsen, S T; RøEitrheim, K K; Bodor, K

2014-06-01

This paper describes the latest developments at the Institute for Energy Technology (IFE) in Norway, in the field of real-time 3D (three-dimensional) radiation risk assessment for the support of work simulation in nuclear environments. 3D computer simulation can greatly facilitate efficient work planning, briefing, and training of workers. It can also support communication within and between work teams, and with advisors, regulators, the media and public, at all the stages of a nuclear installation's lifecycle. Furthermore, it is also a beneficial tool for reviewing current work practices in order to identify possible gaps in procedures, as well as to support the updating of international recommendations, dissemination of experience, and education of the current and future generation of workers.IFE has been involved in research and development into the application of 3D computer simulation and virtual reality (VR) technology to support work in radiological environments in the nuclear sector since the mid 1990s. During this process, two significant software tools have been developed, the VRdose system and the Halden Planner, and a number of publications have been produced to contribute to improving the safety culture in the nuclear industry.This paper describes the radiation risk assessment techniques applied in earlier versions of the VRdose system and the Halden Planner, for visualising radiation fields and calculating dose, and presents new developments towards implementing a flexible and up-to-date dosimetric package in these 3D software tools, based on new developments in the field of radiation protection. The latest versions of these 3D tools are capable of more accurate risk estimation, permit more flexibility via a range of user choices, and are applicable to a wider range of irradiation situations than their predecessors.

Thermal Convection in High-Pressure Ice Layers Beneath a Buried Ocean within Titan and Ganymede

NASA Astrophysics Data System (ADS)

Tobie, G.; Choblet, G.; Dumont, M.

2014-12-01

Deep interiors of large icy satellites such as Titan and Ganymede probably harbor a buried ocean sandwiched between low pressure ice and high-pressure ice layers. The nature and location of the lower interface of the ocean involves equilibration of heat and melt transfer in the HP ices and is ultimately controlled by the amount heat transferred through the surface ice Ih layer. Here, we perform 3D simulations of thermal convection, using the OEDIPUS numerical tool (Choblet et al. GJI 2007), to determine the efficiency of heat and mass transfer through these HP ice mantles. In a first series of simulations with no melting, we show that a significant fraction of the HP layer reaches the melting point. Using a simple description of water production and transport, our simulations demonstrate that the melt generation in the outermost part of the HP ice layer and its extraction to the overlying ocean increase the efficiency of heat transfer and reduce strongly the internal temperature. structure and the efficiency of the heat transfer. Scaling relationships are proposed to describe the cooling effect of melt production/extraction and used to investigate the consequences of internal melting on the thermal history of Titan and Ganymede's interior.

Reduced-order modeling of piezoelectric energy harvesters with nonlinear circuits under complex conditions

NASA Astrophysics Data System (ADS)

Xiang, Hong-Jun; Zhang, Zhi-Wei; Shi, Zhi-Fei; Li, Hong

2018-04-01

A fully coupled modeling approach is developed for piezoelectric energy harvesters in this work based on the use of available robust finite element packages and efficient reducing order modeling techniques. At first, the harvester is modeled using finite element packages. The dynamic equilibrium equations of harvesters are rebuilt by extracting system matrices from the finite element model using built-in commands without any additional tools. A Krylov subspace-based scheme is then applied to obtain a reduced-order model for improving simulation efficiency but preserving the key features of harvesters. Co-simulation of the reduced-order model with nonlinear energy harvesting circuits is achieved in a system level. Several examples in both cases of harmonic response and transient response analysis are conducted to validate the present approach. The proposed approach allows to improve the simulation efficiency by several orders of magnitude. Moreover, the parameters used in the equivalent circuit model can be conveniently obtained by the proposed eigenvector-based model order reduction technique. More importantly, this work establishes a methodology for modeling of piezoelectric energy harvesters with any complicated mechanical geometries and nonlinear circuits. The input load may be more complex also. The method can be employed by harvester designers to optimal mechanical structures or by circuit designers to develop novel energy harvesting circuits.

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

Hoeschele, Marc; Weitzel, Elizabeth; Backman, Christine

This project completed a modeling evaluation of a hybrid gas water heater that combines a reduced capacity tankless unit with a downsized storage tank. This product would meet a significant market need by providing a higher efficiency gas water heater solution for retrofit applications while maintaining compatibility with the 1/2 inch gas lines and standard B vents found in most homes. The TRNSYS simulation tool was used to model a base case 0.60 EF atmospheric gas storage water, a 0.82 EF non-condensing gas tankless water heater, an existing (high capacity) hybrid unit on the market, and an alternative hybrid unitmore » with lower storage volume and reduced gas input requirements. Simulations were completed under a 'peak day' sizing scenario with 183 gpd hot water loads in a Minnesota winter climate case. Full-year simulations were then completed in three climates (ranging from Phoenix to Minneapolis) for three hot water load scenarios (36, 57, and 96 gpd). Model projections indicate that the alternative hybrid offers an average 4.5% efficiency improvement relative to the 0.60 EF gas storage unit across all scenarios modeled. The alternative hybrid water heater evaluated does show promise, but the current low cost of natural gas across much of the country and the relatively small incremental efficiency improvement poses challenges in initially building a market demand for the product.« less

Judicious use of simulation technology in continuing medical education.

PubMed

Curtis, Michael T; DiazGranados, Deborah; Feldman, Moshe

2012-01-01

Use of simulation-based training is fast becoming a vital source of experiential learning in medical education. Although simulation is a common tool for undergraduate and graduate medical education curricula, the utilization of simulation in continuing medical education (CME) is still an area of growth. As more CME programs turn to simulation to address their training needs, it is important to highlight concepts of simulation technology that can help to optimize learning outcomes. This article discusses the role of fidelity in medical simulation. It provides support from a cross section of simulation training domains for determining the appropriate levels of fidelity, and it offers guidelines for creating an optimal balance of skill practice and realism for efficient training outcomes. After defining fidelity, 3 dimensions of fidelity, drawn from the human factors literature, are discussed in terms of their relevance to medical simulation. From this, research-based guidelines are provided to inform CME providers regarding the use of simulation in CME training. Copyright © 2012 The Alliance for Continuing Education in the Health Professions, the Society for Academic Continuing Medical Education, and the Council on CME, Association for Hospital Medical Education.

Decision Support Tool for Deep Energy Efficiency Retrofits in DoD Installations

DTIC Science & Technology

2014-01-01

representations (HDMR). Chemical Engineering Science, 57, 4445–4460. 2. Sobol ’, I., 2001. Global sensitivity indices for nonlinear mathematical...models and their Monte Carlo estimates. Mathematics and computers in simulation, 55, 271–280. 3. Sobol , I. and Kucherenko, S., 2009. Derivative based...representations (HDMR). Chemical Engineering Science, 57, 4445–4460. 16. Sobol ’, I., 2001. Global sensitivity indices for nonlinear mathematical models and

Factors Controlling Sediment Load in The Central Anatolia Region of Turkey: Ankara River Basin.

PubMed

Duru, Umit; Wohl, Ellen; Ahmadi, Mehdi

2017-05-01

Better understanding of the factors controlling sediment load at a catchment scale can facilitate estimation of soil erosion and sediment transport rates. The research summarized here enhances understanding of correlations between potential control variables on suspended sediment loads. The Soil and Water Assessment Tool was used to simulate flow and sediment at the Ankara River basin. Multivariable regression analysis and principal component analysis were then performed between sediment load and controlling variables. The physical variables were either directly derived from a Digital Elevation Model or from field maps or computed using established equations. Mean observed sediment rate is 6697 ton/year and mean sediment yield is 21 ton/y/km² from the gage. Soil and Water Assessment Tool satisfactorily simulated observed sediment load with Nash-Sutcliffe efficiency, relative error, and coefficient of determination (R²) values of 0.81, -1.55, and 0.93, respectively in the catchment. Therefore, parameter values from the physically based model were applied to the multivariable regression analysis as well as principal component analysis. The results indicate that stream flow, drainage area, and channel width explain most of the variability in sediment load among the catchments. The implications of the results, efficient siltation management practices in the catchment should be performed to stream flow, drainage area, and channel width.

Factors Controlling Sediment Load in The Central Anatolia Region of Turkey: Ankara River Basin

NASA Astrophysics Data System (ADS)

Duru, Umit; Wohl, Ellen; Ahmadi, Mehdi

2017-05-01

Better understanding of the factors controlling sediment load at a catchment scale can facilitate estimation of soil erosion and sediment transport rates. The research summarized here enhances understanding of correlations between potential control variables on suspended sediment loads. The Soil and Water Assessment Tool was used to simulate flow and sediment at the Ankara River basin. Multivariable regression analysis and principal component analysis were then performed between sediment load and controlling variables. The physical variables were either directly derived from a Digital Elevation Model or from field maps or computed using established equations. Mean observed sediment rate is 6697 ton/year and mean sediment yield is 21 ton/y/km² from the gage. Soil and Water Assessment Tool satisfactorily simulated observed sediment load with Nash-Sutcliffe efficiency, relative error, and coefficient of determination ( R²) values of 0.81, -1.55, and 0.93, respectively in the catchment. Therefore, parameter values from the physically based model were applied to the multivariable regression analysis as well as principal component analysis. The results indicate that stream flow, drainage area, and channel width explain most of the variability in sediment load among the catchments. The implications of the results, efficient siltation management practices in the catchment should be performed to stream flow, drainage area, and channel width.

Faster Aerodynamic Simulation With Cart3D

NASA Technical Reports Server (NTRS)

2003-01-01

A NASA-developed aerodynamic simulation tool is ensuring the safety of future space operations while providing designers and engineers with an automated, highly accurate computer simulation suite. Cart3D, co-winner of NASA's 2002 Software of the Year award, is the result of over 10 years of research and software development conducted by Michael Aftosmis and Dr. John Melton of Ames Research Center and Professor Marsha Berger of the Courant Institute at New York University. Cart3D offers a revolutionary approach to computational fluid dynamics (CFD), the computer simulation of how fluids and gases flow around an object of a particular design. By fusing technological advancements in diverse fields such as mineralogy, computer graphics, computational geometry, and fluid dynamics, the software provides a new industrial geometry processing and fluid analysis capability with unsurpassed automation and efficiency.

Lightweight computational steering of very large scale molecular dynamics simulations

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

Beazley, D.M.; Lomdahl, P.S.

1996-09-01

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 howmore » 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.« less

GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

PubMed Central

Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

2014-01-01

Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

A high order approach to flight software development and testing

NASA Technical Reports Server (NTRS)

Steinbacher, J.

1981-01-01

The use of a software development facility is discussed as a means of producing a reliable and maintainable ECS software system, and as a means of providing efficient use of the ECS hardware test facility. Principles applied to software design are given, including modularity, abstraction, hiding, and uniformity. The general objectives of each phase of the software life cycle are also given, including testing, maintenance, code development, and requirement specifications. Software development facility tools are summarized, and tool deficiencies recognized in the code development and testing phases are considered. Due to limited lab resources, the functional simulation capabilities may be indispensable in the testing phase.

Advancing the LSST Operations Simulator

NASA Astrophysics Data System (ADS)

Saha, Abhijit; Ridgway, S. T.; Cook, K. H.; Delgado, F.; Chandrasekharan, S.; Petry, C. E.; Operations Simulator Group

2013-01-01

The Operations Simulator for the Large Synoptic Survey Telescope (LSST; http://lsst.org) allows the planning of LSST observations that obey explicit science driven observing specifications, patterns, schema, and priorities, while optimizing against the constraints placed by design-specific opto-mechanical system performance of the telescope facility, site specific conditions (including weather and seeing), as well as additional scheduled and unscheduled downtime. A simulation run records the characteristics of all observations (e.g., epoch, sky position, seeing, sky brightness) in a MySQL database, which can be queried for any desired purpose. Derivative information digests of the observing history database are made with an analysis package called Simulation Survey Tools for Analysis and Reporting (SSTAR). Merit functions and metrics have been designed to examine how suitable a specific simulation run is for several different science applications. This poster reports recent work which has focussed on an architectural restructuring of the code that will allow us to a) use "look-ahead" strategies that avoid cadence sequences that cannot be completed due to observing constraints; and b) examine alternate optimization strategies, so that the most efficient scheduling algorithm(s) can be identified and used: even few-percent efficiency gains will create substantive scientific opportunity. The enhanced simulator will be used to assess the feasibility of desired observing cadences, study the impact of changing science program priorities, and assist with performance margin investigations of the LSST system.

Simulation-based crisis resource management training for pediatric critical care medicine: a review for instructors.

PubMed

Cheng, Adam; Donoghue, Aaron; Gilfoyle, Elaine; Eppich, Walter

2012-03-01

To review the essential elements of crisis resource management and provide a resource for instructors by describing how to use simulation-based training to teach crisis resource management principles in pediatric acute care contexts. A MEDLINE-based literature source. OUTLINE OF REVIEW: This review is divided into three main sections: Background, Principles of Crisis Resource Management, and Tools and Resources. The background section provides the brief history and definition of crisis resource management. The next section describes all the essential elements of crisis resource management, including leadership and followership, communication, teamwork, resource use, and situational awareness. This is followed by a review of evidence supporting the use of simulation-based crisis resource management training in health care. The last section provides the resources necessary to develop crisis resource management training using a simulation-based approach. This includes a description of how to design pediatric simulation scenarios, how to effectively debrief, and a list of potential assessment tools that instructors can use to evaluate crisis resource management performance during simulation-based training. Crisis resource management principles form the foundation for efficient team functioning and subsequent error reduction in high-stakes environments such as acute care pediatrics. Effective instructor training is required for those programs wishing to teach these principles using simulation-based learning. Dissemination and integration of these principles into pediatric critical care practice has the potential for a tremendous impact on patient safety and outcomes.

Efficient simulation of voxelized phantom in GATE with embedded SimSET multiple photon history generator.

PubMed

Lin, Hsin-Hon; Chuang, Keh-Shih; Lin, Yi-Hsing; Ni, Yu-Ching; Wu, Jay; Jan, Meei-Ling

2014-10-21

GEANT4 Application for Tomographic Emission (GATE) is a powerful Monte Carlo simulator that combines the advantages of the general-purpose GEANT4 simulation code and the specific software tool implementations dedicated to emission tomography. However, the detailed physical modelling of GEANT4 is highly computationally demanding, especially when tracking particles through voxelized phantoms. To circumvent the relatively slow simulation of voxelized phantoms in GATE, another efficient Monte Carlo code can be used to simulate photon interactions and transport inside a voxelized phantom. The simulation system for emission tomography (SimSET), a dedicated Monte Carlo code for PET/SPECT systems, is well-known for its efficiency in simulation of voxel-based objects. An efficient Monte Carlo workflow integrating GATE and SimSET for simulating pinhole SPECT has been proposed to improve voxelized phantom simulation. Although the workflow achieves a desirable increase in speed, it sacrifices the ability to simulate decaying radioactive sources such as non-pure positron emitters or multiple emission isotopes with complex decay schemes and lacks the modelling of time-dependent processes due to the inherent limitations of the SimSET photon history generator (PHG). Moreover, a large volume of disk storage is needed to store the huge temporal photon history file produced by SimSET that must be transported to GATE. In this work, we developed a multiple photon emission history generator (MPHG) based on SimSET/PHG to support a majority of the medically important positron emitters. We incorporated the new generator codes inside GATE to improve the simulation efficiency of voxelized phantoms in GATE, while eliminating the need for the temporal photon history file. The validation of this new code based on a MicroPET R4 system was conducted for (124)I and (18)F with mouse-like and rat-like phantoms. Comparison of GATE/MPHG with GATE/GEANT4 indicated there is a slight difference in energy spectra for energy below 50 keV due to the lack of x-ray simulation from (124)I decay in the new code. The spatial resolution, scatter fraction and count rate performance are in good agreement between the two codes. For the case studies of (18)F-NaF ((124)I-IAZG) using MOBY phantom with 1  ×  1 × 1 mm(3) voxel sizes, the results show that GATE/MPHG can achieve acceleration factors of approximately 3.1 × (4.5 ×), 6.5 × (10.7 ×) and 9.5 × (31.0 ×) compared with GATE using the regular navigation method, the compressed voxel method and the parameterized tracking technique, respectively. In conclusion, the implementation of MPHG in GATE allows for improved efficiency of voxelized phantom simulations and is suitable for studying clinical and preclinical imaging.

Neutron detection devices with 6LiF converter layers

NASA Astrophysics Data System (ADS)

Finocchiaro, Paolo; Cosentino, Luigi; Meo, Sergio Lo; Nolte, Ralf; Radeck, Desiree

2018-01-01

The demand for new thermal neutron detectors as an alternative to 3He tubes in research, industrial, safety and homeland security applications, is growing. These needs have triggered research and development activities about new generations of thermal neutron detectors, characterized by reasonable efficiency and gamma rejection comparable to 3He tubes. In this paper we show the state of art of a promising lowcost technique, based on commercial solid state silicon detectors coupled with thin neutron converter layers of 6LiF deposited onto carbon fiber substrates. Several configurations were studied with the GEANT4 simulation code, and then calibrated at the PTB Thermal Neutron Calibration Facility. The results show that the measured detection efficiency is well reproduced by the simulations, therefore validating the simulation tool in view of new designs. These neutron detectors have also been tested at neutron beam facilities like ISIS (Rutherford Appleton Laboratory, UK) and n_TOF (CERN) where a few samples are already in operation for beam flux and 2D profile measurements. Forthcoming applications are foreseen for the online monitoring of spent nuclear fuel casks in interim storage sites.

Crystallographic Lattice Boltzmann Method

PubMed Central

Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

2016-01-01

Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

GPUs, a New Tool of Acceleration in CFD: Efficiency and Reliability on Smoothed Particle Hydrodynamics Methods

PubMed Central

Crespo, Alejandro C.; Dominguez, Jose M.; Barreiro, Anxo; Gómez-Gesteira, Moncho; Rogers, Benedict D.

2011-01-01

Smoothed Particle Hydrodynamics (SPH) is a numerical method commonly used in Computational Fluid Dynamics (CFD) to simulate complex free-surface flows. Simulations with this mesh-free particle method far exceed the capacity of a single processor. In this paper, as part of a dual-functioning code for either central processing units (CPUs) or Graphics Processor Units (GPUs), a parallelisation using GPUs is presented. The GPU parallelisation technique uses the Compute Unified Device Architecture (CUDA) of nVidia devices. Simulations with more than one million particles on a single GPU card exhibit speedups of up to two orders of magnitude over using a single-core CPU. It is demonstrated that the code achieves different speedups with different CUDA-enabled GPUs. The numerical behaviour of the SPH code is validated with a standard benchmark test case of dam break flow impacting on an obstacle where good agreement with the experimental results is observed. Both the achieved speed-ups and the quantitative agreement with experiments suggest that CUDA-based GPU programming can be used in SPH methods with efficiency and reliability. PMID:21695185

Fidelity Witnesses for Fermionic Quantum Simulations

NASA Astrophysics Data System (ADS)

Gluza, M.; Kliesch, M.; Eisert, J.; Aolita, L.

2018-05-01

The experimental interest and developments in quantum spin-1 /2 chains has increased uninterruptedly over the past decade. In many instances, the target quantum simulation belongs to the broader class of noninteracting fermionic models, constituting an important benchmark. In spite of this class being analytically efficiently tractable, no direct certification tool has yet been reported for it. In fact, in experiments, certification has almost exclusively relied on notions of quantum state tomography scaling very unfavorably with the system size. Here, we develop experimentally friendly fidelity witnesses for all pure fermionic Gaussian target states. Their expectation value yields a tight lower bound to the fidelity and can be measured efficiently. We derive witnesses in full generality in the Majorana-fermion representation and apply them to experimentally relevant spin-1 /2 chains. Among others, we show how to efficiently certify strongly out-of-equilibrium dynamics in critical Ising chains. At the heart of the measurement scheme is a variant of importance sampling specially tailored to overlaps between covariance matrices. The method is shown to be robust against finite experimental-state infidelities.

Parameter Estimation of Computationally Expensive Watershed Models Through Efficient Multi-objective Optimization and Interactive Decision Analytics

NASA Astrophysics Data System (ADS)

Akhtar, Taimoor; Shoemaker, Christine

2016-04-01

Watershed model calibration is inherently a multi-criteria problem. Conflicting trade-offs exist between different quantifiable calibration criterions indicating the non-existence of a single optimal parameterization. Hence, many experts prefer a manual approach to calibration where the inherent multi-objective nature of the calibration problem is addressed through an interactive, subjective, time-intensive and complex decision making process. Multi-objective optimization can be used to efficiently identify multiple plausible calibration alternatives and assist calibration experts during the parameter estimation process. However, there are key challenges to the use of multi objective optimization in the parameter estimation process which include: 1) multi-objective optimization usually requires many model simulations, which is difficult for complex simulation models that are computationally expensive; and 2) selection of one from numerous calibration alternatives provided by multi-objective optimization is non-trivial. This study proposes a "Hybrid Automatic Manual Strategy" (HAMS) for watershed model calibration to specifically address the above-mentioned challenges. HAMS employs a 3-stage framework for parameter estimation. Stage 1 incorporates the use of an efficient surrogate multi-objective algorithm, GOMORS, for identification of numerous calibration alternatives within a limited simulation evaluation budget. The novelty of HAMS is embedded in Stages 2 and 3 where an interactive visual and metric based analytics framework is available as a decision support tool to choose a single calibration from the numerous alternatives identified in Stage 1. Stage 2 of HAMS provides a goodness-of-fit measure / metric based interactive framework for identification of a small subset (typically less than 10) of meaningful and diverse set of calibration alternatives from the numerous alternatives obtained in Stage 1. Stage 3 incorporates the use of an interactive visual analytics framework for decision support in selection of one parameter combination from the alternatives identified in Stage 2. HAMS is applied for calibration of flow parameters of a SWAT model, (Soil and Water Assessment Tool) designed to simulate flow in the Cannonsville watershed in upstate New York. Results from the application of HAMS to Cannonsville indicate that efficient multi-objective optimization and interactive visual and metric based analytics can bridge the gap between the effective use of both automatic and manual strategies for parameter estimation of computationally expensive watershed models.

Immersive Environments - A Connectivist Approach

NASA Astrophysics Data System (ADS)

Loureiro, Ana; Bettencourt, Teresa

We are conducting a research project with the aim of achieving better and more efficient ways to facilitate teaching and learning in Higher Level Education. We have chosen virtual environments, with particular emphasis to Second Life® platform augmented by web 2.0 tools, to develop the study. The Second Life® environment has some interesting characteristics that captured our attention, it is immersive; it is a real world simulator; it is a social network; it allows real time communication, cooperation, collaboration and interaction; it is a safe and controlled environment. We specifically chose tools from web 2.0 that enable sharing and collaborative way of learning. Through understanding the characteristics of this learning environment, we believe that immersive learning along with other virtual tools can be integrated in today's pedagogical practices.

Development and Demonstration of a Computational Tool for the Analysis of Particle Vitiation Effects in Hypersonic Propulsion Test Facilities

NASA Technical Reports Server (NTRS)

Perkins, Hugh Douglas

2010-01-01

In order to improve the understanding of particle vitiation effects in hypersonic propulsion test facilities, a quasi-one dimensional numerical tool was developed to efficiently model reacting particle-gas flows over a wide range of conditions. Features of this code include gas-phase finite-rate kinetics, a global porous-particle combustion model, mass, momentum and energy interactions between phases, and subsonic and supersonic particle drag and heat transfer models. The basic capabilities of this tool were validated against available data or other validated codes. To demonstrate the capabilities of the code a series of computations were performed for a model hypersonic propulsion test facility and scramjet. Parameters studied were simulated flight Mach number, particle size, particle mass fraction and particle material.

Virtual Tool Mark Generation for Efficient Striation Analysis

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

Ekstrand, Laura; Zhang, Song; Grieve, Taylor

2014-02-16

This study introduces a tool mark analysis approach based upon 3D scans of screwdriver tip and marked plate surfaces at the micrometer scale from an optical microscope. An open-source 3D graphics software package is utilized to simulate the marking process as the projection of the tip's geometry in the direction of tool travel. The edge of this projection becomes a virtual tool mark that is compared to cross-sections of the marked plate geometry using the statistical likelihood algorithm introduced by Chumbley et al. In a study with both sides of six screwdriver tips and 34 corresponding marks, the method distinguishedmore » known matches from known nonmatches with zero false-positive matches and two false-negative matches. For matches, it could predict the correct marking angle within ±5–10°. Individual comparisons could be made in seconds on a desktop computer, suggesting that the method could save time for examiners.« less

FY17 Status Report on NEAMS Neutronics Activities

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

Lee, C. H.; Jung, Y. S.; Smith, M. A.

2017-09-30

Under the U.S. DOE NEAMS program, the high-fidelity neutronics code system has been developed to support the multiphysics modeling and simulation capability named SHARP. The neutronics code system includes the high-fidelity neutronics code PROTEUS, the cross section library and preprocessing tools, the multigroup cross section generation code MC2-3, the in-house meshing generation tool, the perturbation and sensitivity analysis code PERSENT, and post-processing tools. The main objectives of the NEAMS neutronics activities in FY17 are to continue development of an advanced nodal solver in PROTEUS for use in nuclear reactor design and analysis projects, implement a simplified sub-channel based thermal-hydraulic (T/H)more » capability into PROTEUS to efficiently compute the thermal feedback, improve the performance of PROTEUS-MOCEX using numerical acceleration and code optimization, improve the cross section generation tools including MC2-3, and continue to perform verification and validation tests for PROTEUS.« less

URDME: a modular framework for stochastic simulation of reaction-transport processes in complex geometries.

PubMed

Drawert, Brian; Engblom, Stefan; Hellander, Andreas

2012-06-22

Experiments in silico using stochastic reaction-diffusion models have emerged as an important tool in molecular systems biology. Designing computational software for such applications poses several challenges. Firstly, realistic lattice-based modeling for biological applications requires a consistent way of handling complex geometries, including curved inner- and outer boundaries. Secondly, spatiotemporal stochastic simulations are computationally expensive due to the fast time scales of individual reaction- and diffusion events when compared to the biological phenomena of actual interest. We therefore argue that simulation software needs to be both computationally efficient, employing sophisticated algorithms, yet in the same time flexible in order to meet present and future needs of increasingly complex biological modeling. We have developed URDME, a flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular and tetrahedral meshes to resolve general geometries, and relies on the Reaction-Diffusion Master Equation formalism to model the processes under study. An interface to a mature geometry and mesh handling external software (Comsol Multiphysics) provides for a stable and interactive environment for model construction. The core simulation routines are logically separated from the model building interface and written in a low-level language for computational efficiency. The connection to the geometry handling software is realized via a Matlab interface which facilitates script computing, data management, and post-processing. For practitioners, the software therefore behaves much as an interactive Matlab toolbox. At the same time, it is possible to modify and extend URDME with newly developed simulation routines. Since the overall design effectively hides the complexity of managing the geometry and meshes, this means that newly developed methods may be tested in a realistic setting already at an early stage of development. In this paper we demonstrate, in a series of examples with high relevance to the molecular systems biology community, that the proposed software framework is a useful tool for both practitioners and developers of spatial stochastic simulation algorithms. Through the combined efforts of algorithm development and improved modeling accuracy, increasingly complex biological models become feasible to study through computational methods. URDME is freely available at http://www.urdme.org.

Multiscale molecular dynamics simulations of rotary motor proteins.

PubMed

Ekimoto, Toru; Ikeguchi, Mitsunori

2018-04-01

Protein functions require specific structures frequently coupled with conformational changes. The scale of the structural dynamics of proteins spans from the atomic to the molecular level. Theoretically, all-atom molecular dynamics (MD) simulation is a powerful tool to investigate protein dynamics because the MD simulation is capable of capturing conformational changes obeying the intrinsically structural features. However, to study long-timescale dynamics, efficient sampling techniques and coarse-grained (CG) approaches coupled with all-atom MD simulations, termed multiscale MD simulations, are required to overcome the timescale limitation in all-atom MD simulations. Here, we review two examples of rotary motor proteins examined using free energy landscape (FEL) analysis and CG-MD simulations. In the FEL analysis, FEL is calculated as a function of reaction coordinates, and the long-timescale dynamics corresponding to conformational changes is described as transitions on the FEL surface. Another approach is the utilization of the CG model, in which the CG parameters are tuned using the fluctuation matching methodology with all-atom MD simulations. The long-timespan dynamics is then elucidated straightforwardly by using CG-MD simulations.

Visualization in simulation tools: requirements and a tool specification to support the teaching of dynamic biological processes.

PubMed

Jørgensen, Katarina M; Haddow, Pauline C

2011-08-01

Simulation tools are playing an increasingly important role behind advances in the field of systems biology. However, the current generation of biological science students has either little or no experience with such tools. As such, this educational glitch is limiting both the potential use of such tools as well as the potential for tighter cooperation between the designers and users. Although some simulation tool producers encourage their use in teaching, little attempt has hitherto been made to analyze and discuss their suitability as an educational tool for noncomputing science students. In general, today's simulation tools assume that the user has a stronger mathematical and computing background than that which is found in most biological science curricula, thus making the introduction of such tools a considerable pedagogical challenge. This paper provides an evaluation of the pedagogical attributes of existing simulation tools for cell signal transduction based on Cognitive Load theory. Further, design recommendations for an improved educational simulation tool are provided. The study is based on simulation tools for cell signal transduction. However, the discussions are relevant to a broader biological simulation tool set.

Multi-Objective Bidding Strategy for Genco Using Non-Dominated Sorting Particle Swarm Optimization

NASA Astrophysics Data System (ADS)

Saksinchai, Apinat; Boonchuay, Chanwit; Ongsakul, Weerakorn

2010-06-01

This paper proposes a multi-objective bidding strategy for a generation company (GenCo) in uniform price spot market using non-dominated sorting particle swarm optimization (NSPSO). Instead of using a tradeoff technique, NSPSO is introduced to solve the multi-objective strategic bidding problem considering expected profit maximization and risk (profit variation) minimization. Monte Carlo simulation is employed to simulate rivals' bidding behavior. Test results indicate that the proposed approach can provide the efficient non-dominated solution front effectively. In addition, it can be used as a decision making tool for a GenCo compromising between expected profit and price risk in spot market.

Experimental and numerical research on forging with torsion

NASA Astrophysics Data System (ADS)

Petrov, Mikhail A.; Subich, Vadim N.; Petrov, Pavel A.

2017-10-01

Increasing the efficiency of the technological operations of blank production is closely related to the computer-aided technologies (CAx). On the one hand, the practical result represents reality exactly. On the other hand, the development procedure of new process development demands unrestricted resources, which are limited on the SMEs. The tools of CAx were successfully applied for development of new process of forging with torsion and result analysis as well. It was shown, that the theoretical calculations find the confirmation both in praxis and during numerical simulation. The mostly used constructional materials were under study. The torque angles were stated. The simulated results were evaluated by experimental procedure.

Using Simulation in Interprofessional Education.

PubMed

Paige, John T; Garbee, Deborah D; Brown, Kimberly M; Rojas, Jose D

2015-08-01

Simulation-based training (SBT) is a powerful educational tool permitting the acquisition of surgical knowledge, skills, and attitudes at both the individual- and team-based level in a safe, nonthreatening learning environment at no risk to a patient. Interprofessional education (IPE), in which participants from 2 or more health or social care professions learn interactively, can help improve patient care through the promotion of efficient coordination, dissemination of advances in care across specialties and professions, and optimization of individual- and team-based function. Nonetheless, conducting SBT IPE sessions poses several tactical and strategic challenges that must be effectively overcome to reap IPE's benefits. Copyright © 2015 Elsevier Inc. All rights reserved.

Reversible Flip-Flops in Quantum-Dot Cellular Automata

NASA Astrophysics Data System (ADS)

Rad, Samaneh Kazemi; Heikalabad, Saeed Rasouli

2017-09-01

Quantum-dot cellular automata is a new technology to design the efficient combinational and sequential circuits at the nano-scale. This technology has many desirable advantages compared to the CMOS technology such as low power consumption, less occupation area and low latency. These features make it suitable for use in flip-flop design. In this paper, with knowing the characteristics of reversible logic, we design new structures for flip-flops. The operations of these structures are evaluated with QCADesigner Version 2.0.3 simulator. In addition, we calculate the power dissipation of these structures by QCAPro tool. The results illustrated that proposed structures are efficient compared to the previous ones.

Efficient Use of Distributed Systems for Scientific Applications

NASA Technical Reports Server (NTRS)

Taylor, Valerie; Chen, Jian; Canfield, Thomas; Richard, Jacques

2000-01-01

Distributed computing has been regarded as the future of high performance computing. Nationwide high speed networks such as vBNS are becoming widely available to interconnect high-speed computers, virtual environments, scientific instruments and large data sets. One of the major issues to be addressed with distributed systems is the development of computational tools that facilitate the efficient execution of parallel applications on such systems. These tools must exploit the heterogeneous resources (networks and compute nodes) in distributed systems. This paper presents a tool, called PART, which addresses this issue for mesh partitioning. PART takes advantage of the following heterogeneous system features: (1) processor speed; (2) number of processors; (3) local network performance; and (4) wide area network performance. Further, different finite element applications under consideration may have different computational complexities, different communication patterns, and different element types, which also must be taken into consideration when partitioning. PART uses parallel simulated annealing to partition the domain, taking into consideration network and processor heterogeneity. The results of using PART for an explicit finite element application executing on two IBM SPs (located at Argonne National Laboratory and the San Diego Supercomputer Center) indicate an increase in efficiency by up to 36% as compared to METIS, a widely used mesh partitioning tool. The input to METIS was modified to take into consideration heterogeneous processor performance; METIS does not take into consideration heterogeneous networks. The execution times for these applications were reduced by up to 30% as compared to METIS. These results are given in Figure 1 for four irregular meshes with number of elements ranging from 30,269 elements for the Barth5 mesh to 11,451 elements for the Barth4 mesh. Future work with PART entails using the tool with an integrated application requiring distributed systems. In particular this application, illustrated in the document entails an integration of finite element and fluid dynamic simulations to address the cooling of turbine blades of a gas turbine engine design. It is not uncommon to encounter high-temperature, film-cooled turbine airfoils with 1,000,000s of degrees of freedom. This results because of the complexity of the various components of the airfoils, requiring fine-grain meshing for accuracy. Additional information is contained in the original.

GIS-MODFLOW: Ein kleines OpenSource-Werkzeug zur Anbindung von GIS-Daten an MODFLOW

NASA Astrophysics Data System (ADS)

Gossel, Wolfgang

2013-06-01

The numerical model MODFLOW (Harbaugh 2005) is an efficient and up-to-date tool for groundwater flow modelling. On the other hand, Geo-Information-Systems (GIS) provide useful tools for data preparation and visualization that can also be incorporated in numerical groundwater modelling. An interface between both would therefore be useful for many hydrogeological investigations. To date, several integrated stand-alone tools have been developed that rely on MODFLOW, MODPATH and transport modelling tools. Simultaneously, several open source-GIS codes were developed to improve functionality and ease of use. These GIS tools can be used as pre- and post-processors of the numerical model MODFLOW via a suitable interface. Here we present GIS-MODFLOW as an open-source tool that provides a new universal interface by using the ESRI ASCII GRID data format that can be converted into MODFLOW input data. This tool can also treat MODFLOW results. Such a combination of MODFLOW and open-source GIS opens new possibilities to render groundwater flow modelling, and simulation results, available to larger circles of hydrogeologists.

Enhancement of a parsimonious water balance model to simulate surface hydrology in a glacierized watershed

USGS Publications Warehouse

Valentin, Melissa M.; Viger, Roland J.; Van Beusekom, Ashley E.; Hay, Lauren E.; Hogue, Terri S.; Foks, Nathan Leon

2018-01-01

The U.S. Geological Survey monthly water balance model (MWBM) was enhanced with the capability to simulate glaciers in order to make it more suitable for simulating cold region hydrology. The new model, MWBMglacier, is demonstrated in the heavily glacierized and ecologically important Copper River watershed in Southcentral Alaska. Simulated water budget components compared well to satellite‐based observations and ground measurements of streamflow, evapotranspiration, snow extent, and total water storage, with differences ranging from 0.2% to 7% of the precipitation flux. Nash Sutcliffe efficiency for simulated and observed streamflow was greater than 0.8 for six of eight stream gages. Snow extent matched satellite‐based observations with Nash Sutcliffe efficiency values of greater than 0.89 in the four Copper River ecoregions represented. During the simulation period 1949 to 2009, glacier ice melt contributed 25% of total runoff, ranging from 12% to 45% in different tributaries, and glacierized area was reduced by 6%. Statistically significant (p < 0.05) decreasing and increasing trends in annual glacier mass balance occurred during the multidecade cool and warm phases of the Pacific Decadal Oscillation, respectively, reinforcing the link between climate perturbations and glacier mass balance change. The simulations of glaciers and total runoff for a large, remote region of Alaska provide useful data to evaluate hydrologic, cryospheric, ecologic, and climatic trends. MWBM glacier is a valuable tool to understand when, and to what extent, streamflow may increase or decrease as glaciers respond to a changing climate.

Post Occupancy energy evaluation of Ronald Tutor Hall using eQUEST; Computer based simulation of existing building and comparison of data

NASA Astrophysics Data System (ADS)

Dulom, Duyum

Buildings account for about 40 percent of total U.S. energy consumption. It is therefore important to shift our focus on important measures that can be taken to make buildings more energy efficient. With the rise in number of buildings day by day and the dwindling resources, retrofitting buildings is the key to an energy efficiency future. Post occupancy evaluation (POE) is an important tool and is ideal for the retrofitting process. POE would help to identify the problem areas in the building and enable researchers and designers to come up with solutions addressing the inefficient energy usage as well as the overall wellbeing of the users of the building. The post occupancy energy evaluation of Ronald Tutor Hall (RTH) located at the University of Southern California is one small step in that direction. RTH was chosen to study because; (a) relatively easy access to the building data (b) it was built in compliance with Title 24 2001 and (c) it was old enough to have post occupancy data. The energy modeling tool eQuest was used to simulate the RTH building using the background information of the building such as internal thermal comfort profile, occupancy profile, building envelope profile, internal heat gain profile, etc. The simulation results from eQuest were then compared with the actual building recorded data to verify that our simulated model was behaving similar to the actual building. Once we were able to make the simulated model behave like the actual building, changes were made to the model such as installation of occupancy sensor in the classroom & laboratories, changing the thermostat set points and introducing solar shade on northwest and southwest facade. The combined savings of the proposed interventions resulted in a 6% savings in the overall usage of energy.

Numerical analysis of an entire ceramic kiln under actual operating conditions for the energy efficiency improvement.

PubMed

Milani, Massimo; Montorsi, Luca; Stefani, Matteo; Saponelli, Roberto; Lizzano, Maurizio

2017-12-01

The paper focuses on the analysis of an industrial ceramic kiln in order to improve the energy efficiency and thus the fuel consumption and the corresponding carbon dioxide emissions. A lumped and distributed parameter model of the entire system is constructed to simulate the performance of the kiln under actual operating conditions. The model is able to predict accurately the temperature distribution along the different modules of the kiln and the operation of the many natural gas burners employed to provide the required thermal power. Furthermore, the temperature of the tiles is also simulated so that the quality of the final product can be addressed by the modelling. Numerical results are validated against experimental measurements carried out on a real ceramic kiln during regular production operations. The developed numerical model demonstrates to be an efficient tool for the investigation of different design solutions for the kiln's components. In addition, a number of control strategies for the system working conditions can be simulated and compared in order to define the best trade off in terms of fuel consumption and product quality. In particular, the paper analyzes the effect of a new burner type characterized by internal heat recovery capability aimed at improving the energy efficiency of the ceramic kiln. The fuel saving and the relating reduction of carbon dioxide emissions resulted in the order of 10% when compared to the standard burner. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ground-based facilities for simulation of microgravity: organism-specific recommendations for their use, and recommended terminology.

PubMed

Herranz, Raul; Anken, Ralf; Boonstra, Johannes; Braun, Markus; Christianen, Peter C M; de Geest, Maarten; Hauslage, Jens; Hilbig, Reinhard; Hill, Richard J A; Lebert, Michael; Medina, F Javier; Vagt, Nicole; Ullrich, Oliver; van Loon, Jack J W A; Hemmersbach, Ruth

2013-01-01

Research in microgravity is indispensable to disclose the impact of gravity on biological processes and organisms. However, research in the near-Earth orbit is severely constrained by the limited number of flight opportunities. Ground-based simulators of microgravity are valuable tools for preparing spaceflight experiments, but they also facilitate stand-alone studies and thus provide additional and cost-efficient platforms for gravitational research. The various microgravity simulators that are frequently used by gravitational biologists are based on different physical principles. This comparative study gives an overview of the most frequently used microgravity simulators and demonstrates their individual capacities and limitations. The range of applicability of the various ground-based microgravity simulators for biological specimens was carefully evaluated by using organisms that have been studied extensively under the conditions of real microgravity in space. In addition, current heterogeneous terminology is discussed critically, and recommendations are given for appropriate selection of adequate simulators and consistent use of nomenclature.

Transforming GIS data into functional road models for large-scale traffic simulation.

PubMed

Wilkie, David; Sewall, Jason; Lin, Ming C

2012-06-01

There exists a vast amount of geographic information system (GIS) data that model road networks around the world as polylines with attributes. In this form, the data are insufficient for applications such as simulation and 3D visualization-tools which will grow in power and demand as sensor data become more pervasive and as governments try to optimize their existing physical infrastructure. In this paper, we propose an efficient method for enhancing a road map from a GIS database to create a geometrically and topologically consistent 3D model to be used in real-time traffic simulation, interactive visualization of virtual worlds, and autonomous vehicle navigation. The resulting representation provides important road features for traffic simulations, including ramps, highways, overpasses, legal merge zones, and intersections with arbitrary states, and it is independent of the simulation methodologies. We test the 3D models of road networks generated by our algorithm on real-time traffic simulation using both macroscopic and microscopic techniques.

High performance hybrid functional Petri net simulations of biological pathway models on CUDA.

PubMed

Chalkidis, Georgios; Nagasaki, Masao; Miyano, Satoru

2011-01-01

Hybrid functional Petri nets are a wide-spread tool for representing and simulating biological models. Due to their potential of providing virtual drug testing environments, biological simulations have a growing impact on pharmaceutical research. Continuous research advancements in biology and medicine lead to exponentially increasing simulation times, thus raising the demand for performance accelerations by efficient and inexpensive parallel computation solutions. Recent developments in the field of general-purpose computation on graphics processing units (GPGPU) enabled the scientific community to port a variety of compute intensive algorithms onto the graphics processing unit (GPU). This work presents the first scheme for mapping biological hybrid functional Petri net models, which can handle both discrete and continuous entities, onto compute unified device architecture (CUDA) enabled GPUs. GPU accelerated simulations are observed to run up to 18 times faster than sequential implementations. Simulating the cell boundary formation by Delta-Notch signaling on a CUDA enabled GPU results in a speedup of approximately 7x for a model containing 1,600 cells.

Visual Data-Analytics of Large-Scale Parallel Discrete-Event Simulations

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

Ross, Caitlin; Carothers, Christopher D.; Mubarak, Misbah

Parallel discrete-event simulation (PDES) is an important tool in the codesign of extreme-scale systems because PDES provides a cost-effective way to evaluate designs of highperformance computing systems. Optimistic synchronization algorithms for PDES, such as Time Warp, allow events to be processed without global synchronization among the processing elements. A rollback mechanism is provided when events are processed out of timestamp order. Although optimistic synchronization protocols enable the scalability of large-scale PDES, the performance of the simulations must be tuned to reduce the number of rollbacks and provide an improved simulation runtime. To enable efficient large-scale optimistic simulations, one has tomore » gain insight into the factors that affect the rollback behavior and simulation performance. We developed a tool for ROSS model developers that gives them detailed metrics on the performance of their large-scale optimistic simulations at varying levels of simulation granularity. Model developers can use this information for parameter tuning of optimistic simulations in order to achieve better runtime and fewer rollbacks. In this work, we instrument the ROSS optimistic PDES framework to gather detailed statistics about the simulation engine. We have also developed an interactive visualization interface that uses the data collected by the ROSS instrumentation to understand the underlying behavior of the simulation engine. The interface connects real time to virtual time in the simulation and provides the ability to view simulation data at different granularities. We demonstrate the usefulness of our framework by performing a visual analysis of the dragonfly network topology model provided by the CODES simulation framework built on top of ROSS. The instrumentation needs to minimize overhead in order to accurately collect data about the simulation performance. To ensure that the instrumentation does not introduce unnecessary overhead, we perform a scaling study that compares instrumented ROSS simulations with their noninstrumented counterparts in order to determine the amount of perturbation when running at different simulation scales.« less

A resilient and efficient CFD framework: Statistical learning tools for multi-fidelity and heterogeneous information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-09-01

Exascale-level simulations require fault-resilient algorithms that are robust against repeated and expected software and/or hardware failures during computations, which may render the simulation results unsatisfactory. If each processor can share some global information about the simulation from a coarse, limited accuracy but relatively costless auxiliary simulator we can effectively fill-in the missing spatial data at the required times by a statistical learning technique - multi-level Gaussian process regression, on the fly; this has been demonstrated in previous work [1]. Based on the previous work, we also employ another (nonlinear) statistical learning technique, Diffusion Maps, that detects computational redundancy in time and hence accelerate the simulation by projective time integration, giving the overall computation a "patch dynamics" flavor. Furthermore, we are now able to perform information fusion with multi-fidelity and heterogeneous data (including stochastic data). Finally, we set the foundations of a new framework in CFD, called patch simulation, that combines information fusion techniques from, in principle, multiple fidelity and resolution simulations (and even experiments) with a new adaptive timestep refinement technique. We present two benchmark problems (the heat equation and the Navier-Stokes equations) to demonstrate the new capability that statistical learning tools can bring to traditional scientific computing algorithms. For each problem, we rely on heterogeneous and multi-fidelity data, either from a coarse simulation of the same equation or from a stochastic, particle-based, more "microscopic" simulation. We consider, as such "auxiliary" models, a Monte Carlo random walk for the heat equation and a dissipative particle dynamics (DPD) model for the Navier-Stokes equations. More broadly, in this paper we demonstrate the symbiotic and synergistic combination of statistical learning, domain decomposition, and scientific computing in exascale simulations.

SU-G-BRC-10: Feasibility of a Web-Based Monte Carlo Simulation Tool for Dynamic Electron Arc Radiotherapy (DEAR)

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

Rodrigues, A; Wu, Q; Sawkey, D

Purpose: DEAR is a radiation therapy technique utilizing synchronized motion of gantry and couch during delivery to optimize dose distribution homogeneity and penumbra for treatment of superficial disease. Dose calculation for DEAR is not yet supported by commercial TPSs. The purpose of this study is to demonstrate the feasibility of using a web-based Monte Carlo (MC) simulation tool (VirtuaLinac) to calculate dose distributions for a DEAR delivery. Methods: MC simulations were run through VirtuaLinac, which is based on the GEANT4 platform. VirtuaLinac utilizes detailed linac head geometry and material models, validated phase space files, and a voxelized phantom. The inputmore » was expanded to include an XML file for simulation of varying mechanical axes as a function of MU. A DEAR XML plan was generated and used in the MC simulation and delivered on a TrueBeam in Developer Mode. Radiographic film wrapped on a cylindrical phantom (12.5 cm radius) measured dose at a depth of 1.5 cm and compared to the simulation results. Results: A DEAR plan was simulated using an energy of 6 MeV and a 3×10 cm{sup 2} cut-out in a 15×15 cm{sup 2} applicator for a delivery of a 90° arc. The resulting data were found to provide qualitative and quantitative evidence that the simulation platform could be used as the basis for DEAR dose calculations. The resulting unwrapped 2D dose distributions agreed well in the cross-plane direction along the arc, with field sizes of 18.4 and 18.2 cm and penumbrae of 1.9 and 2.0 cm for measurements and simulations, respectively. Conclusion: Preliminary feasibility of a DEAR delivery using a web-based MC simulation platform has been demonstrated. This tool will benefit treatment planning for DEAR as a benchmark for developing other model based algorithms, allowing efficient optimization of trajectories, and quality assurance of plans without the need for extensive measurements.« less

A parallel finite element simulator for ion transport through three-dimensional ion channel systems.

PubMed

Tu, Bin; Chen, Minxin; Xie, Yan; Zhang, Linbo; Eisenberg, Bob; Lu, Benzhuo

2013-09-15

A parallel finite element simulator, ichannel, is developed for ion transport through three-dimensional ion channel systems that consist of protein and membrane. The coordinates of heavy atoms of the protein are taken from the Protein Data Bank and the membrane is represented as a slab. The simulator contains two components: a parallel adaptive finite element solver for a set of Poisson-Nernst-Planck (PNP) equations that describe the electrodiffusion process of ion transport, and a mesh generation tool chain for ion channel systems, which is an essential component for the finite element computations. The finite element method has advantages in modeling irregular geometries and complex boundary conditions. We have built a tool chain to get the surface and volume mesh for ion channel systems, which consists of a set of mesh generation tools. The adaptive finite element solver in our simulator is implemented using the parallel adaptive finite element package Parallel Hierarchical Grid (PHG) developed by one of the authors, which provides the capability of doing large scale parallel computations with high parallel efficiency and the flexibility of choosing high order elements to achieve high order accuracy. The simulator is applied to a real transmembrane protein, the gramicidin A (gA) channel protein, to calculate the electrostatic potential, ion concentrations and I - V curve, with which both primitive and transformed PNP equations are studied and their numerical performances are compared. To further validate the method, we also apply the simulator to two other ion channel systems, the voltage dependent anion channel (VDAC) and α-Hemolysin (α-HL). The simulation results agree well with Brownian dynamics (BD) simulation results and experimental results. Moreover, because ionic finite size effects can be included in PNP model now, we also perform simulations using a size-modified PNP (SMPNP) model on VDAC and α-HL. It is shown that the size effects in SMPNP can effectively lead to reduced current in the channel, and the results are closer to BD simulation results. Copyright © 2013 Wiley Periodicals, Inc.

SMC: SCENIC Model Control

NASA Technical Reports Server (NTRS)

Srivastava, Priyaka; Kraus, Jeff; Murawski, Robert; Golden, Bertsel, Jr.

2015-01-01

NASAs Space Communications and Navigation (SCaN) program manages three active networks: the Near Earth Network, the Space Network, and the Deep Space Network. These networks simultaneously support NASA missions and provide communications services to customers worldwide. To efficiently manage these resources and their capabilities, a team of student interns at the NASA Glenn Research Center is developing a distributed system to model the SCaN networks. Once complete, the system shall provide a platform that enables users to perform capacity modeling of current and prospective missions with finer-grained control of information between several simulation and modeling tools. This will enable the SCaN program to access a holistic view of its networks and simulate the effects of modifications in order to provide NASA with decisional information. The development of this capacity modeling system is managed by NASAs Strategic Center for Education, Networking, Integration, and Communication (SCENIC). Three primary third-party software tools offer their unique abilities in different stages of the simulation process. MagicDraw provides UMLSysML modeling, AGIs Systems Tool Kit simulates the physical transmission parameters and de-conflicts scheduled communication, and Riverbed Modeler (formerly OPNET) simulates communication protocols and packet-based networking. SCENIC developers are building custom software extensions to integrate these components in an end-to-end space communications modeling platform. A central control module acts as the hub for report-based messaging between client wrappers. Backend databases provide information related to mission parameters and ground station configurations, while the end user defines scenario-specific attributes for the model. The eight SCENIC interns are working under the direction of their mentors to complete an initial version of this capacity modeling system during the summer of 2015. The intern team is composed of four students in Computer Science, two in Computer Engineering, one in Electrical Engineering, and one studying Space Systems Engineering.

Recovery Discontinuous Galerkin Jacobian-free Newton-Krylov Method for all-speed flows

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

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

There is an increasing interest to develop the next generation simulation tools for the advanced nuclear energy systems. These tools will utilize the state-of-art numerical algorithms and computer science technology in order to maximize the predictive capability, support advanced reactor designs, reduce uncertainty and increase safety margins. In analyzing nuclear energy systems, we are interested in compressible low-Mach number, high heat flux flows with a wide range of Re, Ra, and Pr numbers. Under these conditions, the focus is placed on turbulent heat transfer, in contrast to other industries whose main interest is in capturing turbulent mixing. Our objective ismore » to develop singlepoint turbulence closure models for large-scale engineering CFD code, using Direct Numerical Simulation (DNS) or Large Eddy Simulation (LES) tools, requireing very accurate and efficient numerical algorithms. The focus of this work is placed on fully-implicit, high-order spatiotemporal discretization based on the discontinuous Galerkin method solving the conservative form of the compressible Navier-Stokes equations. The method utilizes a local reconstruction procedure derived from weak formulation of the problem, which is inspired by the recovery diffusion flux algorithm of van Leer and Nomura [?] and by the piecewise parabolic reconstruction [?] in the finite volume method. The developed methodology is integrated into the Jacobianfree Newton-Krylov framework [?] to allow a fully-implicit solution of the problem.« less

Challenges of NDE simulation tool validation, optimization, and utilization for composites

NASA Astrophysics Data System (ADS)

Leckey, Cara A. C.; Seebo, Jeffrey P.; Juarez, Peter

2016-02-01

Rapid, realistic nondestructive evaluation (NDE) simulation tools can aid in inspection optimization and prediction of inspectability for advanced aerospace materials and designs. NDE simulation tools may someday aid in the design and certification of aerospace components; potentially shortening the time from material development to implementation by industry and government. Furthermore, ultrasound modeling and simulation are expected to play a significant future role in validating the capabilities and limitations of guided wave based structural health monitoring (SHM) systems. The current state-of-the-art in ultrasonic NDE/SHM simulation is still far from the goal of rapidly simulating damage detection techniques for large scale, complex geometry composite components/vehicles containing realistic damage types. Ongoing work at NASA Langley Research Center is focused on advanced ultrasonic simulation tool development. This paper discusses challenges of simulation tool validation, optimization, and utilization for composites. Ongoing simulation tool development work is described along with examples of simulation validation and optimization challenges that are more broadly applicable to all NDE simulation tools. The paper will also discuss examples of simulation tool utilization at NASA to develop new damage characterization methods for composites, and associated challenges in experimentally validating those methods.

More Fight-Less Fuel: Reducing Fuel Burn through Ground Process Improvement

DTIC Science & Technology

2013-06-01

These joint government and commercial air operations management suites are fast, accurate, and offer many of 33 same tools as SPADE. However, the U.S...passing hour of the day. Simulating the operations at an airfield is similar to a host of related operations management problems including restaurant...flight line may yield significant fuel and cost reductions. Focusing on the efficient use of ground resources through air operations management in a

Validity evidence for the Simulated Colonoscopy Objective Performance Evaluation scoring system.

PubMed

Trinca, Kristen D; Cox, Tiffany C; Pearl, Jonathan P; Ritter, E Matthew

2014-02-01

Low-cost, objective systems to assess and train endoscopy skills are needed. The aim of this study was to evaluate the ability of Simulated Colonoscopy Objective Performance Evaluation to assess the skills required to perform endoscopy. Thirty-eight subjects were included in this study, all of whom performed 4 tasks. The scoring system measured performance by calculating precision and efficiency. Data analysis assessed the relationship between colonoscopy experience and performance on each task and the overall score. Endoscopic trainees' Simulated Colonoscopy Objective Performance Evaluation scores correlated significantly with total colonoscopy experience (r = .61, P = .003) and experience in the past 12 months (r = .63, P = .002). Significant differences were seen among practicing endoscopists, nonendoscopic surgeons, and trainees (P < .0001). When the 4 tasks were analyzed, each showed significant correlation with colonoscopy experience (scope manipulation, r = .44, P = .044; tool targeting, r = .45, P = .04; loop management, r = .47, P = .032; mucosal inspection, r = .65, P = .001) and significant differences in performance between the endoscopist groups, except for mucosal inspection (scope manipulation, P < .0001; tool targeting, P = .002; loop management, P = .0008; mucosal inspection, P = .27). Simulated Colonoscopy Objective Performance Evaluation objectively assesses the technical skills required to perform endoscopy and shows promise as a platform for proficiency-based skills training. Published by Elsevier Inc.

Discharge Chamber Primary Electron Modeling Activities in Three-Dimensions

NASA Technical Reports Server (NTRS)

Steuber, Thomas J.

2004-01-01

Designing discharge chambers for ion thrusters involves many geometric configuration decisions. Various decisions will impact discharge chamber performance with respect to propellant utilization efficiency, ion production costs, and grid lifetime. These hardware design decisions can benefit from the assistance of computational modeling. Computational modeling for discharge chambers has been limited to two-dimensional codes that leveraged symmetry for interpretation into three-dimensional analysis. This paper presents model development activities towards a three-dimensional discharge chamber simulation to aid discharge chamber design decisions. Specifically, of the many geometric configuration decisions toward attainment of a worthy discharge chamber, this paper focuses on addressing magnetic circuit considerations with a three-dimensional discharge chamber simulation as a tool. With this tool, candidate discharge chamber magnetic circuit designs can be analyzed computationally to gain insight into factors that may influence discharge chamber performance such as: primary electron loss width in magnetic cusps, cathode tip position with respect to the low magnetic field volume, definition of a low magnetic field region, and maintenance of a low magnetic field region across the grid span. Corroborating experimental data will be obtained from mockup hardware tests. Initially, simulated candidate magnetic circuit designs will resemble previous successful thruster designs. To provide opportunity to improve beyond previous performance benchmarks, off-design modifications will be simulated and experimentally tested.

Measured and simulated heavy-ion beam loss patterns at the CERN Large Hadron Collider

NASA Astrophysics Data System (ADS)

Hermes, P. D.; Bruce, R.; Jowett, J. M.; Redaelli, S.; Salvachua Ferrando, B.; Valentino, G.; Wollmann, D.

2016-05-01

The Large Hadron Collider (LHC) at CERN pushes forward to new regimes in terms of beam energy and intensity. In view of the combination of very energetic and intense beams together with sensitive machine components, in particular the superconducting magnets, the LHC is equipped with a collimation system to provide protection and intercept uncontrolled beam losses. Beam losses could cause a superconducting magnet to quench, or in the worst case, damage the hardware. The collimation system, which is optimized to provide a good protection with proton beams, has shown a cleaning efficiency with heavy-ion beams which is worse by up to two orders of magnitude. The reason for this reduced cleaning efficiency is the fragmentation of heavy-ion beams into isotopes with a different mass to charge ratios because of the interaction with the collimator material. In order to ensure sufficient collimation performance in future ion runs, a detailed theoretical understanding of ion collimation is needed. The simulation of heavy-ion collimation must include processes in which 82 + 208Pb ions fragment into dozens of new isotopes. The ions and their fragments must be tracked inside the magnetic lattice of the LHC to determine their loss positions. This paper gives an overview of physical processes important for the description of heavy-ion loss patterns. Loss maps simulated by means of the two tools ICOSIM [1,2] and the newly developed STIER (SixTrack with Ion-Equivalent Rigidities) are compared with experimental data measured during LHC operation. The comparison shows that the tool STIER is in better agreement.

Modeling of photoluminescence in laser-based lighting systems

NASA Astrophysics Data System (ADS)

Chatzizyrli, Elisavet; Tinne, Nadine; Lachmayer, Roland; Neumann, Jörg; Kracht, Dietmar

2017-12-01

The development of laser-based lighting systems has been the latest step towards a revolution in illumination technology brought about by solid-state lighting. Laser-activated remote phosphor systems produce white light sources with significantly higher luminance than LEDs. The weak point of such systems is often considered to be the conversion element. The high-intensity exciting laser beam in combination with the limited thermal conductivity of ceramic phosphor materials leads to thermal quenching, the phenomenon in which the emission efficiency decreases as temperature rises. For this reason, the aim of the presented study is the modeling of remote phosphor systems in order to investigate their thermal limitations and to calculate the parameters for optimizing the efficiency of such systems. The common approach to simulate remote phosphor systems utilizes a combination of different tools such as ray tracing algorithms and wave optics tools for describing the incident and converted light, whereas the modeling of the conversion process itself, i.e. photoluminescence, in most cases is circumvented by using the absorption and emission spectra of the phosphor material. In this study, we describe the processes involved in luminescence quantum-mechanically using the single-configurational-coordinate diagram as well as the Franck-Condon principle and propose a simulation model that incorporates the temperature dependence of these processes. Following an increasing awareness of climate change and environmental issues, the development of ecologically friendly lighting systems featuring low power consumption and high luminous efficiency is imperative more than ever. The better understanding of laser-based lighting systems is an important step towards that aim as they may improve on LEDs in the near future.

Efficient Load Balancing and Data Remapping for Adaptive Grid Calculations

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Biswas, Rupak

1997-01-01

Mesh adaption is a powerful tool for efficient unstructured- grid computations but causes load imbalance among processors on a parallel machine. We present a novel method to dynamically balance the processor workloads with a global view. This paper presents, for the first time, the implementation and integration of all major components within our dynamic load balancing strategy for adaptive grid calculations. Mesh adaption, repartitioning, processor assignment, and remapping are critical components of the framework that must be accomplished rapidly and efficiently so as not to cause a significant overhead to the numerical simulation. Previous results indicated that mesh repartitioning and data remapping are potential bottlenecks for performing large-scale scientific calculations. We resolve these issues and demonstrate that our framework remains viable on a large number of processors.

Computer Simulation Shows the Effect of Communication on Day of Surgery Patient Flow.

PubMed

Taaffe, Kevin; Fredendall, Lawrence; Huynh, Nathan; Franklin, Jennifer

2015-07-01

To improve patient flow in a surgical environment, practitioners and academicians often use process mapping and simulation as tools to evaluate and recommend changes. We used simulations to help staff visualize the effect of communication and coordination delays that occur on the day of surgery. Perioperative services staff participated in tabletop exercises in which they chose the delays that were most important to eliminate. Using a day-of-surgery computer simulation model, the elimination of delays was tested and the results were shared with the group. This exercise, repeated for multiple groups of staff, provided an understanding of not only the dynamic events taking place, but also how small communication delays can contribute to a significant loss in efficiency and the ability to provide timely care. Survey results confirmed these understandings. Copyright © 2015 AORN, Inc. Published by Elsevier Inc. All rights reserved.

Simulating the dynamic behavior of a vertical axis wind turbine operating in unsteady conditions

NASA Astrophysics Data System (ADS)

Battisti, L.; Benini, E.; Brighenti, A.; Soraperra, G.; Raciti Castelli, M.

2016-09-01

The present work aims at assessing the reliability of a simulation tool capable of computing the unsteady rotational motion and the associated tower oscillations of a variable speed VAWT immersed in a coherent turbulent wind. As a matter of fact, since the dynamic behaviour of a variable speed turbine strongly depends on unsteady wind conditions (wind gusts), a steady state approach can't accurately catch transient correlated issues. The simulation platform proposed here is implemented using a lumped mass approach: the drive train is described by resorting to both the polar inertia and the angular position of rotating parts, also considering their speed and acceleration, while rotor aerodynamic is based on steady experimental curves. The ultimate objective of the presented numerical platform is the simulation of transient phenomena, driven by turbulence, occurring during rotor operation, with the aim of supporting the implementation of efficient and robust control algorithms.

Design and implementation of an efficient single layer five input majority voter gate in quantum-dot cellular automata.

PubMed

Bahar, Ali Newaz; Waheed, Sajjad

2016-01-01

The fundamental logical element of a quantum-dot cellular automata (QCA) circuit is majority voter gate (MV). The efficiency of a QCA circuit is depends on the efficiency of the MV. This paper presents an efficient single layer five-input majority voter gate (MV5). The structure of proposed MV5 is very simple and easy to implement in any logical circuit. This proposed MV5 reduce number of cells and use conventional QCA cells. However, using MV5 a multilayer 1-bit full-adder (FA) is designed. The functional accuracy of the proposed MV5 and FA are confirmed by QCADesigner a well-known QCA layout design and verification tools. Furthermore, the power dissipation of proposed circuits are estimated, which shows that those circuits dissipate extremely small amount of energy and suitable for reversible computing. The simulation outcomes demonstrate the superiority of the proposed circuit.

Dynamic Model Improves Agronomic and Environmental Outcomes for Maize Nitrogen Management over Static Approach.

PubMed

Sela, Shai; van Es, Harold M; Moebius-Clune, Bianca N; Marjerison, Rebecca; Moebius-Clune, Daniel; Schindelbeck, Robert; Severson, Keith; Young, Eric

2017-03-01

Large temporal and spatial variability in soil nitrogen (N) availability leads many farmers across the United States to over-apply N fertilizers in maize ( L.) production environments, often resulting in large environmental N losses. Static Stanford-type N recommendation tools are typically promoted in the United States, but new dynamic model-based decision tools allow for highly adaptive N recommendations that account for specific production environments and conditions. This study compares the Corn N Calculator (CNC), a static N recommendation tool for New York, to Adapt-N, a dynamic simulation tool that combines soil, crop, and management information with real-time weather data to estimate optimum N application rates for maize. The efficiency of the two tools in predicting the Economically Optimum N Rate (EONR) is compared using field data from 14 multiple N-rate trials conducted in New York during the years 2011 through 2015. The CNC tool was used with both realistic grower-estimated potential yields and those extracted from the CNC default database, which were found to be unrealistically low when compared with field data. By accounting for weather and site-specific conditions, the Adapt-N tool was found to increase the farmer profits and significantly improve the prediction of the EONR (RMSE = 34 kg ha). Furthermore, using a dynamic instead of a static approach led to reduced N application rates, which in turn resulted in substantially lower simulated environmental N losses. This study shows that better N management through a dynamic decision tool such as Adapt-N can help reduce environmental impacts while sustaining farm economic viability. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

XCAT/DRASIM: a realistic CT/human-model simulation package

NASA Astrophysics Data System (ADS)

Fung, George S. K.; Stierstorfer, Karl; Segars, W. Paul; Taguchi, Katsuyuki; Flohr, Thomas G.; Tsui, Benjamin M. W.

2011-03-01

The aim of this research is to develop a complete CT/human-model simulation package by integrating the 4D eXtended CArdiac-Torso (XCAT) phantom, a computer generated NURBS surface based phantom that provides a realistic model of human anatomy and respiratory and cardiac motions, and the DRASIM (Siemens Healthcare) CT-data simulation program. Unlike other CT simulation tools which are based on simple mathematical primitives or voxelized phantoms, this new simulation package has the advantages of utilizing a realistic model of human anatomy and physiological motions without voxelization and with accurate modeling of the characteristics of clinical Siemens CT systems. First, we incorporated the 4D XCAT anatomy and motion models into DRASIM by implementing a new library which consists of functions to read-in the NURBS surfaces of anatomical objects and their overlapping order and material properties in the XCAT phantom. Second, we incorporated an efficient ray-tracing algorithm for line integral calculation in DRASIM by computing the intersection points of the rays cast from the x-ray source to the detector elements through the NURBS surfaces of the multiple XCAT anatomical objects along the ray paths. Third, we evaluated the integrated simulation package by performing a number of sample simulations of multiple x-ray projections from different views followed by image reconstruction. The initial simulation results were found to be promising by qualitative evaluation. In conclusion, we have developed a unique CT/human-model simulation package which has great potential as a tool in the design and optimization of CT scanners, and the development of scanning protocols and image reconstruction methods for improving CT image quality and reducing radiation dose.

A web platform for integrated surface water - groundwater modeling and data management

NASA Astrophysics Data System (ADS)

Fatkhutdinov, Aybulat; Stefan, Catalin; Junghanns, Ralf

2016-04-01

Model-based decision support systems are considered to be reliable and time-efficient tools for resources management in various hydrology related fields. However, searching and acquisition of the required data, preparation of the data sets for simulations as well as post-processing, visualization and publishing of the simulations results often requires significantly more work and time than performing the modeling itself. The purpose of the developed software is to combine data storage facilities, data processing instruments and modeling tools in a single platform which potentially can reduce time required for performing simulations, hence decision making. The system is developed within the INOWAS (Innovative Web Based Decision Support System for Water Sustainability under a Changing Climate) project. The platform integrates spatially distributed catchment scale rainfall - runoff, infiltration and groundwater flow models with data storage, processing and visualization tools. The concept is implemented in a form of a web-GIS application and is build based on free and open source components, including the PostgreSQL database management system, Python programming language for modeling purposes, Mapserver for visualization and publishing the data, Openlayers for building the user interface and others. Configuration of the system allows performing data input, storage, pre- and post-processing and visualization in a single not disturbed workflow. In addition, realization of the decision support system in the form of a web service provides an opportunity to easily retrieve and share data sets as well as results of simulations over the internet, which gives significant advantages for collaborative work on the projects and is able to significantly increase usability of the decision support system.

Polycrystalline CVD diamond device level modeling for particle detection applications

NASA Astrophysics Data System (ADS)

Morozzi, A.; Passeri, D.; Kanxheri, K.; Servoli, L.; Lagomarsino, S.; Sciortino, S.

2016-12-01

Diamond is a promising material whose excellent physical properties foster its use for radiation detection applications, in particular in those hostile operating environments where the silicon-based detectors behavior is limited due to the high radiation fluence. Within this framework, the application of Technology Computer Aided Design (TCAD) simulation tools is highly envisaged for the study, the optimization and the predictive analysis of sensing devices. Since the novelty of using diamond in electronics, this material is not included in the library of commercial, state-of-the-art TCAD software tools. In this work, we propose the development, the application and the validation of numerical models to simulate the electrical behavior of polycrystalline (pc)CVD diamond conceived for diamond sensors for particle detection. The model focuses on the characterization of a physically-based pcCVD diamond bandgap taking into account deep-level defects acting as recombination centers and/or trap states. While a definite picture of the polycrystalline diamond band-gap is still debated, the effect of the main parameters (e.g. trap densities, capture cross-sections, etc.) can be deeply investigated thanks to the simulated approach. The charge collection efficiency due to β -particle irradiation of diamond materials provided by different vendors and with different electrode configurations has been selected as figure of merit for the model validation. The good agreement between measurements and simulation findings, keeping the traps density as the only one fitting parameter, assesses the suitability of the TCAD modeling approach as a predictive tool for the design and the optimization of diamond-based radiation detectors.

The impact of bathymetry input on flood simulations

NASA Astrophysics Data System (ADS)

Khanam, M.; Cohen, S.

2017-12-01

Flood prediction and mitigation systems are inevitable for improving public safety and community resilience all over the worldwide. Hydraulic simulations of flood events are becoming an increasingly efficient tool for studying and predicting flood events and susceptibility. A consistent limitation of hydraulic simulations of riverine dynamics is the lack of information about river bathymetry as most terrain data record water surface elevation. The impact of this limitation on the accuracy on hydraulic simulations of flood has not been well studies over a large range of flood magnitude and modeling frameworks. Advancing our understanding of this topic is timely given emerging national and global efforts for developing automated flood predictions systems (e.g. NOAA National Water Center). Here we study the response of flood simulation to the incorporation of different bathymetry and floodplain surveillance source. Different hydraulic models are compared, Mike-Flood, a 2D hydrodynamic model, and GSSHA, a hydrology/hydraulics model. We test a hypothesis that the impact of inclusion/exclusion of bathymetry data on hydraulic model results will vary in its magnitude as a function of river size. This will allow researcher and stake holders more accurate predictions of flood events providing useful information that will help local communities in a vulnerable flood zone to mitigate flood hazards. Also, it will help to evaluate the accuracy and efficiency of different modeling frameworks and gage their dependency on detailed bathymetry input data.

A Coupled Earthquake-Tsunami Simulation Framework Applied to the Sumatra 2004 Event

NASA Astrophysics Data System (ADS)

Vater, Stefan; Bader, Michael; Behrens, Jörn; van Dinther, Ylona; Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Uphoff, Carsten; Wollherr, Stephanie; van Zelst, Iris

2017-04-01

Large earthquakes along subduction zone interfaces have generated destructive tsunamis near Chile in 1960, Sumatra in 2004, and northeast Japan in 2011. In order to better understand these extreme events, we have developed tools for physics-based, coupled earthquake-tsunami simulations. This simulation framework is applied to the 2004 Indian Ocean M 9.1-9.3 earthquake and tsunami, a devastating event that resulted in the loss of more than 230,000 lives. The earthquake rupture simulation is performed using an ADER discontinuous Galerkin discretization on an unstructured tetrahedral mesh with the software SeisSol. Advantages of this approach include accurate representation of complex fault and sea floor geometries and a parallelized and efficient workflow in high-performance computing environments. Accurate and efficient representation of the tsunami evolution and inundation at the coast is achieved with an adaptive mesh discretizing the shallow water equations with a second-order Runge-Kutta discontinuous Galerkin (RKDG) scheme. With the application of the framework to this historic event, we aim to better understand the involved mechanisms between the dynamic earthquake within the earth's crust, the resulting tsunami wave within the ocean, and the final coastal inundation process. Earthquake model results are constrained by GPS surface displacements and tsunami model results are compared with buoy and inundation data. This research is part of the ASCETE Project, "Advanced Simulation of Coupled Earthquake and Tsunami Events", funded by the Volkswagen Foundation.

Computer Simulation in Predicting Biochemical Processes and Energy Balance at WWTPs

NASA Astrophysics Data System (ADS)

Drewnowski, Jakub; Zaborowska, Ewa; Hernandez De Vega, Carmen

2018-02-01

Nowadays, the use of mathematical models and computer simulation allow analysis of many different technological solutions as well as testing various scenarios in a short time and at low financial budget in order to simulate the scenario under typical conditions for the real system and help to find the best solution in design or operation process. The aim of the study was to evaluate different concepts of biochemical processes and energy balance modelling using a simulation platform GPS-x and a comprehensive model Mantis2. The paper presents the example of calibration and validation processes in the biological reactor as well as scenarios showing an influence of operational parameters on the WWTP energy balance. The results of batch tests and full-scale campaign obtained in the former work were used to predict biochemical and operational parameters in a newly developed plant model. The model was extended with sludge treatment devices, including anaerobic digester. Primary sludge removal efficiency was found as a significant factor determining biogas production and further renewable energy production in cogeneration. Water and wastewater utilities, which run and control WWTP, are interested in optimizing the process in order to save environment, their budget and decrease the pollutant emissions to water and air. In this context, computer simulation can be the easiest and very useful tool to improve the efficiency without interfering in the actual process performance.

Fully Parallel MHD Stability Analysis Tool

NASA Astrophysics Data System (ADS)

Svidzinski, Vladimir; Galkin, Sergei; Kim, Jin-Soo; Liu, Yueqiang

2015-11-01

Progress on full parallelization of the plasma stability code MARS will be reported. MARS calculates eigenmodes in 2D axisymmetric toroidal equilibria in MHD-kinetic plasma models. It is a powerful tool for studying MHD and MHD-kinetic instabilities and it is widely used by fusion community. Parallel version of MARS is intended for simulations on local parallel clusters. It will be an efficient tool for simulation of MHD instabilities with low, intermediate and high toroidal mode numbers within both fluid and kinetic plasma models, already implemented in MARS. Parallelization of the code includes parallelization of the construction of the matrix for the eigenvalue problem and parallelization of the inverse iterations algorithm, implemented in MARS for the solution of the formulated eigenvalue problem. Construction of the matrix is parallelized by distributing the load among processors assigned to different magnetic surfaces. Parallelization of the solution of the eigenvalue problem is made by repeating steps of the present MARS algorithm using parallel libraries and procedures. Results of MARS parallelization and of the development of a new fix boundary equilibrium code adapted for MARS input will be reported. Work is supported by the U.S. DOE SBIR program.

Concept of Operations Visualization for Ares I Production

NASA Technical Reports Server (NTRS)

Chilton, Jim; Smith, David Alan

2008-01-01

Establishing Computer Aided Design models of the Ares I production facility, tooling and vehicle components and integrating them into manufacturing visualizations/simulations allows Boeing and NASA to collaborate real time early in the design/development cycle. This collaboration identifies cost effective and lean solutions that can be easily shared with Ares stakeholders (e.g., other NASA Centers and potential science users). These Ares I production visualizations and analyses by their nature serve as early manufacturing improvement precursors for other Constellation elements to be built at the Michoud Assembly Facility such as Ares V and the Altair Lander. Key to this Boeing and Marshall Space Flight Center collaboration has been the use of advanced virtual manufacturing tools to understand the existing Shuttle era infrastructure and trade potential modifications to support Ares I production. These approaches are then used to determine an optimal manufacturing configuration in terms of labor efficiency, safety and facility enhancements. These same models and tools can be used in an interactive simulation of Ares I and V flight to the Space Station or moon to educate the human space constituency (e.g., government, academia, media and the public) in order to increase national and international understanding of Constellation goals and benefits.

Performance analysis and optimization of an advanced pharmaceutical wastewater treatment plant through a visual basic software tool (PWWT.VB).

PubMed

Pal, Parimal; Thakura, Ritwik; Chakrabortty, Sankha

2016-05-01

A user-friendly, menu-driven simulation software tool has been developed for the first time to optimize and analyze the system performance of an advanced continuous membrane-integrated pharmaceutical wastewater treatment plant. The software allows pre-analysis and manipulation of input data which helps in optimization and shows the software performance visually on a graphical platform. Moreover, the software helps the user to "visualize" the effects of the operating parameters through its model-predicted output profiles. The software is based on a dynamic mathematical model, developed for a systematically integrated forward osmosis-nanofiltration process for removal of toxic organic compounds from pharmaceutical wastewater. The model-predicted values have been observed to corroborate well with the extensive experimental investigations which were found to be consistent under varying operating conditions like operating pressure, operating flow rate, and draw solute concentration. Low values of the relative error (RE = 0.09) and high values of Willmott-d-index (d will = 0.981) reflected a high degree of accuracy and reliability of the software. This software is likely to be a very efficient tool for system design or simulation of an advanced membrane-integrated treatment plant for hazardous wastewater.

Quality engineering tools focused on high power LED driver design using boost power stages in switch mode

NASA Astrophysics Data System (ADS)

Ileana, Ioan; Risteiu, Mircea; Marc, Gheorghe

2016-12-01

This paper is a part of our research dedicated to high power LED lamps designing. The boost-up selected technology wants to meet driver producers' tendency in the frame of efficiency and disturbances constrains. In our work we used modeling and simulation tools for implementing scenarios of the driver work when some controlling functions are executed (output voltage/ current versus input voltage and fixed switching frequency, input and output electric power transfer versus switching frequency, transient inductor voltage analysis, and transient out capacitor analysis). Some electrical and thermal stress conditions are also analyzed. Based on these aspects, a high reliable power LED driver has been designed.

A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

NASA Astrophysics Data System (ADS)

Simmons, Daniel; Cools, Kristof; Sewell, Phillip

2016-11-01

Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removes staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications.

Efficiency analysis of numerical integrations for finite element substructure in real-time hybrid simulation

NASA Astrophysics Data System (ADS)

Wang, Jinting; Lu, Liqiao; Zhu, Fei

2018-01-01

Finite element (FE) is a powerful tool and has been applied by investigators to real-time hybrid simulations (RTHSs). This study focuses on the computational efficiency, including the computational time and accuracy, of numerical integrations in solving FE numerical substructure in RTHSs. First, sparse matrix storage schemes are adopted to decrease the computational time of FE numerical substructure. In this way, the task execution time (TET) decreases such that the scale of the numerical substructure model increases. Subsequently, several commonly used explicit numerical integration algorithms, including the central difference method (CDM), the Newmark explicit method, the Chang method and the Gui-λ method, are comprehensively compared to evaluate their computational time in solving FE numerical substructure. CDM is better than the other explicit integration algorithms when the damping matrix is diagonal, while the Gui-λ (λ = 4) method is advantageous when the damping matrix is non-diagonal. Finally, the effect of time delay on the computational accuracy of RTHSs is investigated by simulating structure-foundation systems. Simulation results show that the influences of time delay on the displacement response become obvious with the mass ratio increasing, and delay compensation methods may reduce the relative error of the displacement peak value to less than 5% even under the large time-step and large time delay.

Making objective summaries of climate model behavior more accessible

NASA Astrophysics Data System (ADS)

Gleckler, P. J.

2016-12-01

For multiple reasons, a more efficient and systematic evaluation of publically available climate model simulations is urgently needed. The IPCC, national assessments, and an assortment of other public and policy-driven needs place taxing demands on researchers. While cutting edge research is essential to meeting these needs, so too are results from well-established analysis, and these should be more efficiently produced, widely accessible, and be highly traceable. Furthermore, the number of simulations used by the research community is already large and expected to dramatically increase with the 6th phase of the Coupled Model Intercomparison Project (CMIP6). To help meet the demands on the research community and synthesize results from the rapidly expanding number and complexity of model simulations, well-established characteristics from all CMIP DECK (Diagnosis, Evaluation and Characterization of Klima) experiments will be routinely produced and made accessible. This presentation highlights the PCMDI Metrics Package (PMP), a capability that is designed to provide a diverse suite of objective summary statistics across spatial and temporal scales, gauging the agreement between models and observations. In addition to the PMP, ESMValTool is being developed to broadly diagnose CMIP simulations, and a variety of other packages target specialized sets of analysis. The challenges and opportunities of working towards coordinating these community-based capabilities will be discussed.

A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

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

Simmons, Daniel, E-mail: daniel.simmons@nottingham.ac.uk; Cools, Kristof; Sewell, Phillip

Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removesmore » staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications. - Graphical abstract:.« less

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

Hong, Tianzhen; Yan, Da; D'Oca, Simona

Occupant behavior has significant impacts on building energy performance and occupant comfort. However, occupant behavior is not well understood and is often oversimplified in the building life cycle, due to its stochastic, diverse, complex, and interdisciplinary nature. The use of simplified methods or tools to quantify the impacts of occupant behavior in building performance simulations significantly contributes to performance gaps between simulated models and actual building energy consumption. Therefore, it is crucial to understand occupant behavior in a comprehensive way, integrating qualitative approaches and data- and model-driven quantitative approaches, and employing appropriate tools to guide the design and operation ofmore » low-energy residential and commercial buildings that integrate technological and human dimensions. This paper presents ten questions, highlighting some of the most important issues regarding concepts, applications, and methodologies in occupant behavior research. The proposed questions and answers aim to provide insights into occupant behavior for current and future researchers, designers, and policy makers, and most importantly, to inspire innovative research and applications to increase energy efficiency and reduce energy use in buildings.« less

Combining users' activity survey and simulators to evaluate human activity recognition systems.

PubMed

Azkune, Gorka; Almeida, Aitor; López-de-Ipiña, Diego; Chen, Liming

2015-04-08

Evaluating human activity recognition systems usually implies following expensive and time-consuming methodologies, where experiments with humans are run with the consequent ethical and legal issues. We propose a novel evaluation methodology to overcome the enumerated problems, which is based on surveys for users and a synthetic dataset generator tool. Surveys allow capturing how different users perform activities of daily living, while the synthetic dataset generator is used to create properly labelled activity datasets modelled with the information extracted from surveys. Important aspects, such as sensor noise, varying time lapses and user erratic behaviour, can also be simulated using the tool. The proposed methodology is shown to have very important advantages that allow researchers to carry out their work more efficiently. To evaluate the approach, a synthetic dataset generated following the proposed methodology is compared to a real dataset computing the similarity between sensor occurrence frequencies. It is concluded that the similarity between both datasets is more than significant.

ALPHACAL: A new user-friendly tool for the calibration of alpha-particle sources.

PubMed

Timón, A Fernández; Vargas, M Jurado; Gallardo, P Álvarez; Sánchez-Oro, J; Peralta, L

2018-05-01

In this work, we present and describe the program ALPHACAL, specifically developed for the calibration of alpha-particle sources. It is therefore more user-friendly and less time-consuming than multipurpose codes developed for a wide range of applications. The program is based on the recently developed code AlfaMC, which simulates specifically the transport of alpha particles. Both cylindrical and point sources mounted on the surface of polished backings can be simulated, as is the convention in experimental measurements of alpha-particle sources. In addition to the efficiency calculation and determination of the backscattering coefficient, some additional tools are available to the user, like the visualization of energy spectrum, use of energy cut-off or low-energy tail corrections. ALPHACAL has been implemented in C++ language using QT library, so it is available for Windows, MacOs and Linux platforms. It is free and can be provided under request to the authors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Surgeon-tool force/torque signatures--evaluation of surgical skills in minimally invasive surgery.

PubMed

Rosen, J; MacFarlane, M; Richards, C; Hannaford, B; Sinanan, M

1999-01-01

The best method of training for laparoscopic surgical skills is controversial. Some advocate observation in the operating room, while others promote animal and simulated models or a combination of surgical related tasks. The mode of proficiency evaluation common to all of these methods has been subjective evaluation by a skilled surgeon. In order to define an objective means of evaluating performance, an instrumented laparoscopic grasper was developed measuring the force/torque at the surgeon hand/tool interface. The measured database demonstrated substantial differences between experienced and novice surgeon groups. Analyzing forces and torques combined with the state transition during surgical procedures allows an objective measurement of skill in MIS. Teaching the novice surgeon to limit excessive loads and improve movement efficiency during surgical procedures can potentially result in less injury to soft tissues and less wasted time during laparoscopic surgery. Moreover the force/torque database measured in this study may be used for developing realistic virtual reality simulators and optimization of medical robots performance.

A comparison of homogeneous equilibrium and relaxation model for CO2 expansion inside the two-phase ejector

NASA Astrophysics Data System (ADS)

Palacz, M.; Haida, M.; Smolka, J.; Nowak, A. J.; Hafner, A.

2016-09-01

In this study, the comparison of the accuracy of the homogeneous equilibrium model (HEM) and homogeneous relaxation model (HRM) is presented. Both models were applied to simulate the CO2 expansion inside the two-phase ejectors. Moreover, the mentioned models were implemented in the robust and efficient computational tool ejectorPL. That tool guarantees the fully automated computational process and the repeatable computations for the various ejector shapes and operating conditions. The simulated motive nozzle mass flow rates were compared to the experimentally measured mass flow rates. That comparison was made for both, HEM and HRM. The results showed the unsatisfying fidelity of the HEM for the operating regimes far from the carbon dioxide critical point. On the other hand, the HRM accuracy for such conditions was slightly higher. The approach presented in this paper, showed the limitation of applicability of both two-phase models for the expansion phenomena inside the ejectors.

Discriminating topology in galaxy distributions using network analysis

NASA Astrophysics Data System (ADS)

Hong, Sungryong; Coutinho, Bruno C.; Dey, Arjun; Barabási, Albert-L.; Vogelsberger, Mark; Hernquist, Lars; Gebhardt, Karl

2016-07-01

The large-scale distribution of galaxies is generally analysed using the two-point correlation function. However, this statistic does not capture the topology of the distribution, and it is necessary to resort to higher order correlations to break degeneracies. We demonstrate that an alternate approach using network analysis can discriminate between topologically different distributions that have similar two-point correlations. We investigate two galaxy point distributions, one produced by a cosmological simulation and the other by a Lévy walk. For the cosmological simulation, we adopt the redshift z = 0.58 slice from Illustris and select galaxies with stellar masses greater than 108 M⊙. The two-point correlation function of these simulated galaxies follows a single power law, ξ(r) ˜ r-1.5. Then, we generate Lévy walks matching the correlation function and abundance with the simulated galaxies. We find that, while the two simulated galaxy point distributions have the same abundance and two-point correlation function, their spatial distributions are very different; most prominently, filamentary structures, absent in Lévy fractals. To quantify these missing topologies, we adopt network analysis tools and measure diameter, giant component, and transitivity from networks built by a conventional friends-of-friends recipe with various linking lengths. Unlike the abundance and two-point correlation function, these network quantities reveal a clear separation between the two simulated distributions; therefore, the galaxy distribution simulated by Illustris is not a Lévy fractal quantitatively. We find that the described network quantities offer an efficient tool for discriminating topologies and for comparing observed and theoretical distributions.

Automatic 3D virtual scenes modeling for multisensors simulation

NASA Astrophysics Data System (ADS)

Latger, Jean; Le Goff, Alain; Cathala, Thierry; Larive, Mathieu

2006-05-01

SEDRIS that stands for Synthetic Environment Data Representation and Interchange Specification is a DoD/DMSO initiative in order to federate and make interoperable 3D mocks up in the frame of virtual reality and simulation. This paper shows an original application of SEDRIS concept for research physical multi sensors simulation, when SEDRIS is more classically known for training simulation. CHORALE (simulated Optronic Acoustic Radar battlefield) is used by the French DGA/DCE (Directorate for Test and Evaluation of the French Ministry of Defense) to perform multi-sensors simulations. CHORALE enables the user to create virtual and realistic multi spectral 3D scenes, and generate the physical signal received by a sensor, typically an IR sensor. In the scope of this CHORALE workshop, French DGA has decided to introduce a SEDRIS based new 3D terrain modeling tool that enables to create automatically 3D databases, directly usable by the physical sensor simulation CHORALE renderers. This AGETIM tool turns geographical source data (including GIS facilities) into meshed geometry enhanced with the sensor physical extensions, fitted to the ray tracing rendering of CHORALE, both for the infrared, electromagnetic and acoustic spectrum. The basic idea is to enhance directly the 2D source level with the physical data, rather than enhancing the 3D meshed level, which is more efficient (rapid database generation) and more reliable (can be generated many times, changing some parameters only). The paper concludes with the last current evolution of AGETIM in the scope mission rehearsal for urban war using sensors. This evolution includes indoor modeling for automatic generation of inner parts of buildings.

EBUS-STAT Subscore Analysis to Predict the Efficacy and Assess the Validity of Virtual Reality Simulation for EBUS-TBNA Training Among Experienced Bronchoscopists.

PubMed

Scarlata, Simone; Palermo, Patrizio; Candoli, Piero; Tofani, Ariela; Petitti, Tommasangelo; Corbetta, Lorenzo

2017-04-01

Linear endobronchial ultrasound transbronchial needle aspiration (EBUS-TBNA) represents a pivotal innovation in interventional pulmonology; determining the best approach to guarantee systematic and efficient training is expected to become a main issue in the forthcoming years. Virtual reality simulators have been proposed as potential EBUS-TBNA training instruments, to avoid unskilled beginners practicing directly in real-life settings. A validated and perfected simulation program could be used before allowing beginners to practice on patients. Our goal was to test the reliability of the EBUS-Skills and Task Assessment Tool (STAT) and its subscores for measuring the competence of experienced bronchoscopists approaching EBUS-guided TBNA, using only the virtual reality simulator as both a training and an assessment tool. Fifteen experienced bronchoscopists, with poor or no experience in EBUS-TBNA, participated in this study. They were all administered the Italian version of the EBUS-STAT evaluation tool, during a high-fidelity virtual reality simulation. This was followed by a single 7-hour theoretical and practical (on simulators) session on EBUS-TBNA, at the end of which their skills were reassessed by EBUS-STAT. An overall, significant improvement in EBUS-TBNA skills was observed, thereby confirming that (a) virtual reality simulation can facilitate practical learning among practitioners, and (b) EBUS-STAT is capable of detecting these improvements. The test's overall ability to detect differences was negatively influenced by the minimal variation of the scores relating to items 1 and 2, was not influenced by the training, and improved significantly when the 2 items were not considered. Apart from these 2 items, all the remaining subscores were equally capable of revealing improvements in the learner. Lastly, we found that trainees with presimulation EBUS-STAT scores above 79 did not show any significant improvement after virtual reality training, suggesting that this score represents a cutoff value capable of predicting the likelihood that simulation can be beneficial. Virtual reality simulation is capable of providing a practical learning tool for practitioners with previous experience in flexible bronchoscopy, and the EBUS-STAT questionnaire is capable of detecting these changes. A pretraining EBUS-STAT score below 79 is a good indicator of those candidates who will benefit from the simulation training. Further studies are needed to verify whether a modified version of the questionnaire would be capable of improving its performance among experienced bronchoscopists.

Edge effect modeling of small tool polishing in planetary movement

NASA Astrophysics Data System (ADS)

Li, Qi-xin; Ma, Zhen; Jiang, Bo; Yao, Yong-sheng

2018-03-01

As one of the most challenging problems in Computer Controlled Optical Surfacing (CCOS), the edge effect greatly affects the polishing accuracy and efficiency. CCOS rely on stable tool influence function (TIF), however, at the edge of the mirror surface,with the grinding head out of the mirror ,the contact area and pressure distribution changes, which resulting in a non-linear change of TIF, and leads to tilting or sagging at the edge of the mirror. In order reduce the adverse effects and improve the polishing accuracy and efficiency. In this paper, we used the finite element simulation to analyze the pressure distribution at the mirror edge and combined with the improved traditional method to establish a new model. The new method fully considered the non-uniformity of pressure distribution. After modeling the TIFs in different locations, the description and prediction of the edge effects are realized, which has a positive significance on the control and suppression of edge effects

Max Tech Efficiency Electric HPWH with low-GWP Halogenated Refrigerant

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

Nawaz, Kashif; Shen, Bo; Elatar, Ahmed F.

A scoping-level analysis was conducted to determine the maximum performance of an electric heat pump water heater (HPWH) with low GWP refrigerants (hydroflouroolefins (HFO), hydrofluorocarbons (HFC), and blends). A baseline heat pump water heater (GE GeoSpring) deploying R-134a was analyzed first using the DOE/ORNL Heat Pump Design Model (HPDM) modeling tool. The model was calibrated using experimental data to match the water temperature stratification in tank, first hour rating, energy factor and coefficient of performance. A CFD modeling tool was used to further refine the HPDM tank model. After calibration, the model was used to simulate the performance of alternativemore » refrigerants. The parametric analysis concluded that by appropriate selection of equipment size and condenser tube wrap configuration the overall performance of emerging low GWP refrigerants for HPWH application not only exceed the Energy Star Energy Factor criteria i.e. 2.20, but is also comparable to some of the most efficient products in the market.« less

Object-Oriented MDAO Tool with Aeroservoelastic Model Tuning Capability

NASA Technical Reports Server (NTRS)

Pak, Chan-gi; Li, Wesley; Lung, Shun-fat

2008-01-01

An object-oriented multi-disciplinary analysis and optimization (MDAO) tool has been developed at the NASA Dryden Flight Research Center to automate the design and analysis process and leverage existing commercial as well as in-house codes to enable true multidisciplinary optimization in the preliminary design stage of subsonic, transonic, supersonic and hypersonic aircraft. Once the structural analysis discipline is finalized and integrated completely into the MDAO process, other disciplines such as aerodynamics and flight controls will be integrated as well. Simple and efficient model tuning capabilities based on optimization problem are successfully integrated with the MDAO tool. More synchronized all phases of experimental testing (ground and flight), analytical model updating, high-fidelity simulations for model validation, and integrated design may result in reduction of uncertainties in the aeroservoelastic model and increase the flight safety.

A modelling tool for policy analysis to support the design of efficient and effective policy responses for complex public health problems.

PubMed

Atkinson, Jo-An; Page, Andrew; Wells, Robert; Milat, Andrew; Wilson, Andrew

2015-03-03

In the design of public health policy, a broader understanding of risk factors for disease across the life course, and an increasing awareness of the social determinants of health, has led to the development of more comprehensive, cross-sectoral strategies to tackle complex problems. However, comprehensive strategies may not represent the most efficient or effective approach to reducing disease burden at the population level. Rather, they may act to spread finite resources less intensively over a greater number of programs and initiatives, diluting the potential impact of the investment. While analytic tools are available that use research evidence to help identify and prioritise disease risk factors for public health action, they are inadequate to support more targeted and effective policy responses for complex public health problems. This paper discusses the limitations of analytic tools that are commonly used to support evidence-informed policy decisions for complex problems. It proposes an alternative policy analysis tool which can integrate diverse evidence sources and provide a platform for virtual testing of policy alternatives in order to design solutions that are efficient, effective, and equitable. The case of suicide prevention in Australia is presented to demonstrate the limitations of current tools to adequately inform prevention policy and discusses the utility of the new policy analysis tool. In contrast to popular belief, a systems approach takes a step beyond comprehensive thinking and seeks to identify where best to target public health action and resources for optimal impact. It is concerned primarily with what can be reasonably left out of strategies for prevention and can be used to explore where disinvestment may occur without adversely affecting population health (or equity). Simulation modelling used for policy analysis offers promise in being able to better operationalise research evidence to support decision making for complex problems, improve targeting of public health policy, and offers a foundation for strengthening relationships between policy makers, stakeholders, and researchers.

The energetics of relativistic jets in active galactic nuclei with various kinetic powers

NASA Astrophysics Data System (ADS)

Musoke, Gibwa Rebecca; Young, Andrew; Molnar, Sandor; Birkinshaw, Mark

2018-01-01

Numerical simulations are an important tool in understanding the physical processes behind relativistic jets in active galactic nuclei. In such simulations different combinations of intrinsic jet parameters can be used to obtain the same jet kinetic powers. We present a numerical investigation of the effects of varying the jet power on the dynamic and energetic characteristics of the jets for two kinetic power regimes; in the first regime we change the jet density whilst maintaining a fixed velocity, in the second the jet density is held constant while the velocity is varied. We conduct 2D axisymmetric hydrodynamic simulations of bipolar jets propagating through an isothermal cluster atmosphere using the FLASH MHD code in pure hydrodynamics mode. The jets are simulated with kinetic powers ranging between 1045 and 1046 erg/s and internal Mach numbers ranging from 5.6 to 21.5.As the jets begin to propagate into the intracluster medium (ICM), the injected jet energy is converted into the thermal, kinetic and gravitational potential energy components of the jet cocoon and ICM. We explore the temporal evolution of the partitioning of the injected jet energy into the cocoon and the ICM and quantify the importance of entrainment process on the energy partitioning. We investigate the fraction of injected energy transferred to the thermal energy component of the jet-ICM system in the context of heating the cluster environments, noting that the jets simulated display peak thermalisation efficiencies of least 65% and a marked dependence on the jet density. We compare the efficiencies of the energy partitioning between the cocoon and ICM for the two kinetic power regimes and discuss the resulting efficiency-power scaling relations of each regime.

Simulation Tools and Techniques for Analyzing the Impacts of Photovoltaic System Integration

NASA Astrophysics Data System (ADS)

Hariri, Ali

Solar photovoltaic (PV) energy integration in distribution networks is one of the fastest growing sectors of distributed energy integration. The growth in solar PV integration is incentivized by various clean power policies, global interest in solar energy, and reduction in manufacturing and installation costs of solar energy systems. The increase in solar PV integration has raised a number of concerns regarding the potential impacts that might arise as a result of high PV penetration. Some impacts have already been recorded in networks with high PV penetration such as in China, Germany, and USA (Hawaii and California). Therefore, network planning is becoming more intricate as new technologies are integrated into the existing electric grid. The integrated new technologies pose certain compatibility concerns regarding the existing electric grid infrastructure. Therefore, PV integration impact studies are becoming more essential in order to have a better understanding of how to advance the solar PV integration efforts without introducing adverse impacts into the network. PV impact studies are important for understanding the nature of the new introduced phenomena. Understanding the nature of the potential impacts is a key factor for mitigating and accommodating for said impacts. Traditionally, electric power utilities relied on phasor-based power flow simulations for planning their electric networks. However, the conventional, commercially available, phasor-based simulation tools do not provide proper visibility across a wide spectrum of electric phenomena. Moreover, different types of simulation approaches are suitable for specific types of studies. For instance, power flow software cannot be used for studying time varying phenomena. At the same time, it is not practical to use electromagnetic transient (EMT) tools to perform power flow solutions. Therefore, some electric phenomena caused by the variability of PV generation are not visible using the conventional utility simulation software. On the other hand, EMT simulation tools provide high accuracy and visibility over a wide bandwidth of frequencies at the expense of larger processing and memory requirements, limited network size, and long simulation time. Therefore, there is a gap in simulation tools and techniques that can efficiently and effectively identify potential PV impact. New planning simulation tools are needed in order to accommodate for the simulation requirements of new integrated technologies in the electric grid. The dissertation at hand starts by identifying some of the potential impacts that are caused by high PV penetration. A phasor-based quasi-static time series (QSTS) analysis tool is developed in order to study the slow dynamics that are caused by the variations in the PV generation that lead to voltage fluctuations. Moreover, some EMT simulations are performed in order to study the impacts of PV systems on the electric network harmonic levels. These studies provide insights into the type and duration of certain impacts, as well as the conditions that may lead to adverse phenomena. In addition these studies present an idea about the type of simulation tools that are sufficient for each type of study. After identifying some of the potential impacts, certain planning tools and techniques are proposed. The potential PV impacts may cause certain utilities to refrain from integrating PV systems into their networks. However, each electric network has a certain limit beyond which the impacts become substantial and may adversely interfere with the system operation and the equipment along the feeder; this limit is referred to as the hosting limit (or hosting capacity). Therefore, it is important for utilities to identify the PV hosting limit on a specific electric network in order to safely and confidently integrate the maximum possible PV systems. In the following dissertation, two approaches have been proposed for identifying the hosing limit: 1. Analytical approach: this is a theoretical mathematical approach that demonstrated the understanding of the fundamentals of electric power system operation. It provides an easy way to estimate the maximum amount of PV power that can be injected at each node in the network. This approach has been tested and validated. 2. Stochastic simulation software approach: this approach provides a comprehensive simulation software that can be used in order to identify the PV hosting limit. The software performs a large number of stochastic simulation while varying the PV system size and location. The collected data is then analyzed for violations in the voltage levels, voltage fluctuations and reverse power flow. (Abstract shortened by ProQuest.).

A Simulation Approach to Assessing Sampling Strategies for Insect Pests: An Example with the Balsam Gall Midge

PubMed Central

Carleton, R. Drew; Heard, Stephen B.; Silk, Peter J.

2013-01-01

Estimation of pest density is a basic requirement for integrated pest management in agriculture and forestry, and efficiency in density estimation is a common goal. Sequential sampling techniques promise efficient sampling, but their application can involve cumbersome mathematics and/or intensive warm-up sampling when pests have complex within- or between-site distributions. We provide tools for assessing the efficiency of sequential sampling and of alternative, simpler sampling plans, using computer simulation with “pre-sampling” data. We illustrate our approach using data for balsam gall midge (Paradiplosis tumifex) attack in Christmas tree farms. Paradiplosis tumifex proved recalcitrant to sequential sampling techniques. Midge distributions could not be fit by a common negative binomial distribution across sites. Local parameterization, using warm-up samples to estimate the clumping parameter k for each site, performed poorly: k estimates were unreliable even for samples of n∼100 trees. These methods were further confounded by significant within-site spatial autocorrelation. Much simpler sampling schemes, involving random or belt-transect sampling to preset sample sizes, were effective and efficient for P. tumifex. Sampling via belt transects (through the longest dimension of a stand) was the most efficient, with sample means converging on true mean density for sample sizes of n∼25–40 trees. Pre-sampling and simulation techniques provide a simple method for assessing sampling strategies for estimating insect infestation. We suspect that many pests will resemble P. tumifex in challenging the assumptions of sequential sampling methods. Our software will allow practitioners to optimize sampling strategies before they are brought to real-world applications, while potentially avoiding the need for the cumbersome calculations required for sequential sampling methods. PMID:24376556

Numerical Optimization of a Bifacial Bi-Glass Thin-Film a-Si:H Solar Cell for Higher Conversion Efficiency

NASA Astrophysics Data System (ADS)

Berrian, Djaber; Fathi, Mohamed; Kechouane, Mohamed

2018-02-01

Bifacial solar cells that maximize the energy output per a square meter have become a new fashion in the field of photovoltaic cells. However, the application of thin-film material on bifacial solar cells, viz., thin-film amorphous hydrogenated silicon ( a- Si:H), is extremely rare. Therefore, this paper presents the optimization and influence of the band gap, thickness and doping on the performance of a glass/glass thin-film a- Si:H ( n- i- p) bifacial solar cell, using a computer-aided simulation tool, Automat for simulation of hetero-structures (AFORS-HET). It is worth mentioning that the thickness and the band gap of the i-layer are the key parameters in achieving higher efficiency and hence it has to be handled carefully during the fabrication process. Furthermore, an efficient thin-film a- Si:H bifacial solar cell requires thinner and heavily doped n and p emitter layers. On the other hand, the band gap of the p-layer showed a dramatic reduction of the efficiency at 2.3 eV. Moreover, a high bifaciality factor of more than 92% is attained, and top efficiency of 10.9% is revealed under p side illumination. These optimizations demonstrate significant enhancements of the recent experimental work on thin-film a- Si:H bifacial solar cells and would also be useful for future experimental investigations on an efficient a- Si:H thin-film bifacial solar cell.

Efficiency of endoscopy units can be improved with use of discrete event simulation modeling.

PubMed

Sauer, Bryan G; Singh, Kanwar P; Wagner, Barry L; Vanden Hoek, Matthew S; Twilley, Katherine; Cohn, Steven M; Shami, Vanessa M; Wang, Andrew Y

2016-11-01

Background and study aims: The projected increased demand for health services obligates healthcare organizations to operate efficiently. Discrete event simulation (DES) is a modeling method that allows for optimization of systems through virtual testing of different configurations before implementation. The objective of this study was to identify strategies to improve the daily efficiencies of an endoscopy center with the use of DES. Methods: We built a DES model of a five procedure room endoscopy unit at a tertiary-care university medical center. After validating the baseline model, we tested alternate configurations to run the endoscopy suite and evaluated outcomes associated with each change. The main outcome measures included adequate number of preparation and recovery rooms, blocked inflow, delay times, blocked outflows, and patient cycle time. Results: Based on a sensitivity analysis, the adequate number of preparation rooms is eight and recovery rooms is nine for a five procedure room unit (total 3.4 preparation and recovery rooms per procedure room). Simple changes to procedure scheduling and patient arrival times led to a modest improvement in efficiency. Increasing the preparation/recovery rooms based on the sensitivity analysis led to significant improvements in efficiency. Conclusions: By applying tools such as DES, we can model changes in an environment with complex interactions and find ways to improve the medical care we provide. DES is applicable to any endoscopy unit and would be particularly valuable to those who are trying to improve on the efficiency of care and patient experience.

Efficiency of endoscopy units can be improved with use of discrete event simulation modeling

PubMed Central

Sauer, Bryan G.; Singh, Kanwar P.; Wagner, Barry L.; Vanden Hoek, Matthew S.; Twilley, Katherine; Cohn, Steven M.; Shami, Vanessa M.; Wang, Andrew Y.

2016-01-01

Background and study aims: The projected increased demand for health services obligates healthcare organizations to operate efficiently. Discrete event simulation (DES) is a modeling method that allows for optimization of systems through virtual testing of different configurations before implementation. The objective of this study was to identify strategies to improve the daily efficiencies of an endoscopy center with the use of DES. Methods: We built a DES model of a five procedure room endoscopy unit at a tertiary-care university medical center. After validating the baseline model, we tested alternate configurations to run the endoscopy suite and evaluated outcomes associated with each change. The main outcome measures included adequate number of preparation and recovery rooms, blocked inflow, delay times, blocked outflows, and patient cycle time. Results: Based on a sensitivity analysis, the adequate number of preparation rooms is eight and recovery rooms is nine for a five procedure room unit (total 3.4 preparation and recovery rooms per procedure room). Simple changes to procedure scheduling and patient arrival times led to a modest improvement in efficiency. Increasing the preparation/recovery rooms based on the sensitivity analysis led to significant improvements in efficiency. Conclusions: By applying tools such as DES, we can model changes in an environment with complex interactions and find ways to improve the medical care we provide. DES is applicable to any endoscopy unit and would be particularly valuable to those who are trying to improve on the efficiency of care and patient experience. PMID:27853739

Building America Case Study: Assessment of a Hybrid Retrofit Gas Water Heater

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

This project completed a modeling evaluation of a hybrid gas water heater that combines a reduced capacity tankless unit with a downsized storage tank. This product would meet a significant market need by providing a higher efficiency gas water heater solution for retrofit applications while maintaining compatibility with the half-inch gas lines and standard B vents found in most homes. The TRNSYS simulation tool was used to model a base case 0.60 EF atmospheric gas storage water, a 0.82 EF non-condensing gas tankless water heater, an existing (high capacity) hybrid unit on the market, and an alternative hybrid unit withmore » lower storage volume and reduced gas input requirements. Simulations were completed under a 'peak day' sizing scenario with 183 gpd hot water loads in a Minnesota winter climate case. Full-year simulations were then completed in three climates (ranging from Phoenix to Minneapolis) for three hot water load scenarios (36, 57, and 96 gpd). Model projections indicate that the alternative hybrid offers an average 4.5% efficiency improvement relative to the 0.60 EF gas storage unit across all scenarios modeled. The alternative hybrid water heater evaluated does show promise, but the current low cost of natural gas across much of the country and the relatively small incremental efficiency improvement poses challenges in initially building a market demand for the product.« less

Assessment of a Hybrid Retrofit Gas Water Heater

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

Hoeschele, Marc; Weitzel, Elizabeth; Backman, Christine

2017-02-28

This project completed a modeling evaluation of a hybrid gas water heater that combines a reduced capacity tankless unit with a downsized storage tank. This product would meet a significant market need by providing a higher efficiency gas water heater solution for retrofit applications while maintaining compatibility with the 1/2 inch gas lines and standard B vents found in most homes. The TRNSYS simulation tool was used to model a base case 0.60 EF atmospheric gas storage water, a 0.82 EF non-condensing gas tankless water heater, an existing (high capacity) hybrid unit on the market, and an alternative hybrid unitmore » with lower storage volume and reduced gas input requirements. Simulations were completed under a 'peak day' sizing scenario with 183 gpd hot water loads in a Minnesota winter climate case. Full-year simulations were then completed in three climates (ranging from Phoenix to Minneapolis) for three hot water load scenarios (36, 57, and 96 gpd). Model projections indicate that the alternative hybrid offers an average 4.5% efficiency improvement relative to the 0.60 EF gas storage unit across all scenarios modeled. The alternative hybrid water heater evaluated does show promise, but the current low cost of natural gas across much of the country and the relatively small incremental efficiency improvement poses challenges in initially building a market demand for the product.« less

Numerical simulation of the casting process of titanium tooth crowns and bridges.

PubMed

Wu, M; Augthun, M; Wagner, I; Sahm, P R; Spiekermann, H

2001-06-01

The objectives of this paper were to simulate the casting process of titanium tooth crowns and bridges; to predict and control porosity defect. A casting simulation software, MAGMASOFT, was used. The geometry of the crowns with fine details of the occlusal surface were digitized by means of laser measuring technique, then converted and read in the simulation software. Both mold filling and solidification were simulated, the shrinkage porosity was predicted by a "feeding criterion", and the gas pore sensitivity was studied based on the mold filling and solidification simulations. Two types of dental prostheses (a single-crown casting and a three-unit-bridge) with various sprue designs were numerically "poured", and only one optimal design for each prosthesis was recommended for real casting trial. With the numerically optimized design, real titanium dental prostheses (five replicas for each) were made on a centrifugal casting machine. All the castings endured radiographic examination, and no porosity was detected in the cast prostheses. It indicates that the numerical simulation is an efficient tool for dental casting design and porosity control. Copyright 2001 Kluwer Academic Publishers

Fluid Structure Interaction simulation of heart prosthesis in patient-specific left-ventricle/aorta anatomies

NASA Astrophysics Data System (ADS)

Le, Trung; Borazjani, Iman; Sotiropoulos, Fotis

2009-11-01

In order to test and optimize heart valve prosthesis and enable virtual implantation of other biomedical devices it is essential to develop and validate high-resolution FSI-CFD codes for carrying out simulations in patient-specific geometries. We have developed a powerful numerical methodology for carrying out FSI simulations of cardiovascular flows based on the CURVIB approach (Borazjani, L. Ge, and F. Sotiropoulos, Journal of Computational physics, vol. 227, pp. 7587-7620 2008). We have extended our FSI method to overset grids to handle efficiently more complicated geometries e.g. simulating an MHV implanted in an anatomically realistic aorta and left-ventricle. A compliant, anatomic left-ventricle is modeled using prescribed motion in one domain. The mechanical heart valve is placed inside the second domain i.e. the body-fitted curvilinear mesh of the anatomic aorta. The simulations of an MHV with a left-ventricle model underscore the importance of inflow conditions and ventricular compliance for such simulations and demonstrate the potential of our method as a powerful tool for patient-specific simulations.

Ground-Based Facilities for Simulation of Microgravity: Organism-Specific Recommendations for Their Use, and Recommended Terminology

PubMed Central

Anken, Ralf; Boonstra, Johannes; Braun, Markus; Christianen, Peter C.M.; de Geest, Maarten; Hauslage, Jens; Hilbig, Reinhard; Hill, Richard J.A.; Lebert, Michael; Medina, F. Javier; Vagt, Nicole; Ullrich, Oliver

2013-01-01

Abstract Research in microgravity is indispensable to disclose the impact of gravity on biological processes and organisms. However, research in the near-Earth orbit is severely constrained by the limited number of flight opportunities. Ground-based simulators of microgravity are valuable tools for preparing spaceflight experiments, but they also facilitate stand-alone studies and thus provide additional and cost-efficient platforms for gravitational research. The various microgravity simulators that are frequently used by gravitational biologists are based on different physical principles. This comparative study gives an overview of the most frequently used microgravity simulators and demonstrates their individual capacities and limitations. The range of applicability of the various ground-based microgravity simulators for biological specimens was carefully evaluated by using organisms that have been studied extensively under the conditions of real microgravity in space. In addition, current heterogeneous terminology is discussed critically, and recommendations are given for appropriate selection of adequate simulators and consistent use of nomenclature. Key Words: 2-D clinostat—3-D clinostat—Gravity—Magnetic levitation—Random positioning machine—Simulated microgravity—Space biology. Astrobiology 13, 1–17. PMID:23252378

Quantum chemistry simulation on quantum computers: theories and experiments.

PubMed

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

Sustainability of transport structures - some aspects of the nonlinear reliability assessment

NASA Astrophysics Data System (ADS)

Pukl, Radomír; Sajdlová, Tereza; Strauss, Alfred; Lehký, David; Novák, Drahomír

2017-09-01

Efficient techniques for both nonlinear numerical analysis of concrete structures and advanced stochastic simulation methods have been combined in order to offer an advanced tool for assessment of realistic behaviour, failure and safety assessment of transport structures. The utilized approach is based on randomization of the non-linear finite element analysis of the structural models. Degradation aspects such as carbonation of concrete can be accounted in order predict durability of the investigated structure and its sustainability. Results can serve as a rational basis for the performance and sustainability assessment based on advanced nonlinear computer analysis of the structures of transport infrastructure such as bridges or tunnels. In the stochastic simulation the input material parameters obtained from material tests including their randomness and uncertainty are represented as random variables or fields. Appropriate identification of material parameters is crucial for the virtual failure modelling of structures and structural elements. Inverse analysis using artificial neural networks and virtual stochastic simulations approach is applied to determine the fracture mechanical parameters of the structural material and its numerical model. Structural response, reliability and sustainability have been investigated on different types of transport structures made from various materials using the above mentioned methodology and tools.

Interoperability of Neuroscience Modeling Software

PubMed Central

Cannon, Robert C.; Gewaltig, Marc-Oliver; Gleeson, Padraig; Bhalla, Upinder S.; Cornelis, Hugo; Hines, Michael L.; Howell, Fredrick W.; Muller, Eilif; Stiles, Joel R.; Wils, Stefan; De Schutter, Erik

2009-01-01

Neuroscience increasingly uses computational models to assist in the exploration and interpretation of complex phenomena. As a result, considerable effort is invested in the development of software tools and technologies for numerical simulations and for the creation and publication of models. The diversity of related tools leads to the duplication of effort and hinders model reuse. Development practices and technologies that support interoperability between software systems therefore play an important role in making the modeling process more efficient and in ensuring that published models can be reliably and easily reused. Various forms of interoperability are possible including the development of portable model description standards, the adoption of common simulation languages or the use of standardized middleware. Each of these approaches finds applications within the broad range of current modeling activity. However more effort is required in many areas to enable new scientific questions to be addressed. Here we present the conclusions of the “Neuro-IT Interoperability of Simulators” workshop, held at the 11th computational neuroscience meeting in Edinburgh (July 19-20 2006; http://www.cnsorg.org). We assess the current state of interoperability of neural simulation software and explore the future directions that will enable the field to advance. PMID:17873374

a Simulation Tool Assisting the Design of a Close Range Photogrammetry System for the Sardinia Radio Telescope

NASA Astrophysics Data System (ADS)

Buffa, F.; Pinna, A.; Sanna, G.

2016-06-01

The Sardinia Radio Telescope (SRT) is a 64 m diameter antenna, whose primary mirror is equipped with an active surface capable to correct its deformations by means of a thick network of actuators. Close range photogrammetry (CRP) was used to measure the self-load deformations of the SRT primary reflector from its optimal shape, which are requested to be minimized for the radio telescope to operate at full efficiency. In the attempt to achieve such performance, we conceived a near real-time CRP system which requires the cameras to be installed in fixed positions and at the same time to avoid any interference with the antenna operativeness. The design of such system is not a trivial task, and to assist our decision we therefore developed a simulation pipeline to realistically reproduce and evaluate photogrammetric surveys of large structures. The described simulation environment consists of (i) a detailed description of the SRT model, included the measurement points and the camera parameters, (ii) a tool capable of generating realistic images accordingly to the above model, and (iii) a self-calibrating bundle adjustment to evaluate the performance in terms of RMSE of the camera configurations.

Pattern Recognition for a Flight Dynamics Monte Carlo Simulation

NASA Technical Reports Server (NTRS)

Restrepo, Carolina; Hurtado, John E.

2011-01-01

The design, analysis, and verification and validation of a spacecraft relies heavily on Monte Carlo simulations. Modern computational techniques are able to generate large amounts of Monte Carlo data but flight dynamics engineers lack the time and resources to analyze it all. The growing amounts of data combined with the diminished available time of engineers motivates the need to automate the analysis process. Pattern recognition algorithms are an innovative way of analyzing flight dynamics data efficiently. They can search large data sets for specific patterns and highlight critical variables so analysts can focus their analysis efforts. This work combines a few tractable pattern recognition algorithms with basic flight dynamics concepts to build a practical analysis tool for Monte Carlo simulations. Current results show that this tool can quickly and automatically identify individual design parameters, and most importantly, specific combinations of parameters that should be avoided in order to prevent specific system failures. The current version uses a kernel density estimation algorithm and a sequential feature selection algorithm combined with a k-nearest neighbor classifier to find and rank important design parameters. This provides an increased level of confidence in the analysis and saves a significant amount of time.

10 CFR 434.606 - Simulation tool.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 3 2013-01-01 2013-01-01 false Simulation tool. 434.606 Section 434.606 Energy DEPARTMENT... RESIDENTIAL BUILDINGS Building Energy Compliance Alternative § 434.606 Simulation tool. 606.1 The criteria established in subsection 521 for the selection of a simulation tool shall be followed when using the...

10 CFR 434.606 - Simulation tool.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Simulation tool. 434.606 Section 434.606 Energy DEPARTMENT... RESIDENTIAL BUILDINGS Building Energy Compliance Alternative § 434.606 Simulation tool. 606.1 The criteria established in subsection 521 for the selection of a simulation tool shall be followed when using the...

10 CFR 434.606 - Simulation tool.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Simulation tool. 434.606 Section 434.606 Energy DEPARTMENT... RESIDENTIAL BUILDINGS Building Energy Compliance Alternative § 434.606 Simulation tool. 606.1 The criteria established in subsection 521 for the selection of a simulation tool shall be followed when using the...

10 CFR 434.606 - Simulation tool.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Simulation tool. 434.606 Section 434.606 Energy DEPARTMENT... RESIDENTIAL BUILDINGS Building Energy Compliance Alternative § 434.606 Simulation tool. 606.1 The criteria established in subsection 521 for the selection of a simulation tool shall be followed when using the...

Improving SWAT for simulating water and carbon fluxes of forest ecosystems

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

Yang, Qichun; Zhang, Xuesong

2016-11-01

As a widely used watershed model for assessing impacts of anthropogenic and natural disturbances on water quantity and quality, the Soil and Water Assessment Tool (SWAT) has not been extensively tested in simulating water and carbon fluxes of forest ecosystems. Here, we examine SWAT simulations of evapotranspiration (ET), net primary productivity (NPP), net ecosystem exchange (NEE), and plant biomass at ten AmeriFlux forest sites across the U.S. We identify unrealistic radiation use efficiency (Bio_E), large leaf to biomass fraction (Bio_LEAF), and missing phosphorus supply from parent material weathering as the primary causes for the inadequate performance of the default SWATmore » model in simulating forest dynamics. By further revising the relevant parameters and processes, SWAT’s performance is substantially improved. Based on the comparison between the improved SWAT simulations and flux tower observations, we discuss future research directions for further enhancing model parameterization and representation of water and carbon cycling for forests.« less

Testing the Use of Implicit Solvent in the Molecular Dynamics Modelling of DNA Flexibility

NASA Astrophysics Data System (ADS)

Mitchell, J.; Harris, S.

DNA flexibility controls packaging, looping and in some cases sequence specific protein binding. Molecular dynamics simulations carried out with a computationally efficient implicit solvent model are potentially a powerful tool for studying larger DNA molecules than can be currently simulated when water and counterions are represented explicitly. In this work we compare DNA flexibility at the base pair step level modelled using an implicit solvent model to that previously determined from explicit solvent simulations and database analysis. Although much of the sequence dependent behaviour is preserved in implicit solvent, the DNA is considerably more flexible when the approximate model is used. In addition we test the ability of the implicit solvent to model stress induced DNA disruptions by simulating a series of DNA minicircle topoisomers which vary in size and superhelical density. When compared with previously run explicit solvent simulations, we find that while the levels of DNA denaturation are similar using both computational methodologies, the specific structural form of the disruptions is different.

A new solver for granular avalanche simulation: Indoor experiment verification and field scale case study

NASA Astrophysics Data System (ADS)

Wang, XiaoLiang; Li, JiaChun

2017-12-01

A new solver based on the high-resolution scheme with novel treatments of source terms and interface capture for the Savage-Hutter model is developed to simulate granular avalanche flows. The capability to simulate flow spread and deposit processes is verified through indoor experiments of a two-dimensional granular avalanche. Parameter studies show that reduction in bed friction enhances runout efficiency, and that lower earth pressure restraints enlarge the deposit spread. The April 9, 2000, Yigong avalanche in Tibet, China, is simulated as a case study by this new solver. The predicted results, including evolution process, deposit spread, and hazard impacts, generally agree with site observations. It is concluded that the new solver for the Savage-Hutter equation provides a comprehensive software platform for granular avalanche simulation at both experimental and field scales. In particular, the solver can be a valuable tool for providing necessary information for hazard forecasts, disaster mitigation, and countermeasure decisions in mountainous areas.

A Simulation and Modeling Framework for Space Situational Awareness

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

Olivier, S S

This paper describes the development and initial demonstration of a new, integrated modeling and simulation framework, encompassing the space situational awareness enterprise, for quantitatively assessing the benefit of specific sensor systems, technologies and data analysis techniques. The framework is based on a flexible, scalable architecture to enable efficient, physics-based simulation of the current SSA enterprise, and to accommodate future advancements in SSA systems. In particular, the code is designed to take advantage of massively parallel computer systems available, for example, at Lawrence Livermore National Laboratory. The details of the modeling and simulation framework are described, including hydrodynamic models of satellitemore » intercept and debris generation, orbital propagation algorithms, radar cross section calculations, optical brightness calculations, generic radar system models, generic optical system models, specific Space Surveillance Network models, object detection algorithms, orbit determination algorithms, and visualization tools. The use of this integrated simulation and modeling framework on a specific scenario involving space debris is demonstrated.« less

Large-Scale Simulations of Plastic Neural Networks on Neuromorphic Hardware

PubMed Central

Knight, James C.; Tully, Philip J.; Kaplan, Bernhard A.; Lansner, Anders; Furber, Steve B.

2016-01-01

SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Rather than using bespoke analog or digital hardware, the basic computational unit of a SpiNNaker system is a general-purpose ARM processor, allowing it to be programmed to simulate a wide variety of neuron and synapse models. This flexibility is particularly valuable in the study of biological plasticity phenomena. A recently proposed learning rule based on the Bayesian Confidence Propagation Neural Network (BCPNN) paradigm offers a generic framework for modeling the interaction of different plasticity mechanisms using spiking neurons. However, it can be computationally expensive to simulate large networks with BCPNN learning since it requires multiple state variables for each synapse, each of which needs to be updated every simulation time-step. We discuss the trade-offs in efficiency and accuracy involved in developing an event-based BCPNN implementation for SpiNNaker based on an analytical solution to the BCPNN equations, and detail the steps taken to fit this within the limited computational and memory resources of the SpiNNaker architecture. We demonstrate this learning rule by learning temporal sequences of neural activity within a recurrent attractor network which we simulate at scales of up to 2.0 × 104 neurons and 5.1 × 107 plastic synapses: the largest plastic neural network ever to be simulated on neuromorphic hardware. We also run a comparable simulation on a Cray XC-30 supercomputer system and find that, if it is to match the run-time of our SpiNNaker simulation, the super computer system uses approximately 45× more power. This suggests that cheaper, more power efficient neuromorphic systems are becoming useful discovery tools in the study of plasticity in large-scale brain models. PMID:27092061

A Multiscale Software Tool for Field/Circuit Co-Simulation

DTIC Science & Technology

2011-12-15

technology fields: Number of graduating undergraduates who achieved a 3.5 GPA to 4.0 (4.0 max scale): Number of graduating undergraduates funded by a...times more efficient than FDTD for such a problem in 3D . The techniques in class (c) above include the discontinuous Galerkin method and multidomain...implements a finite-differential-time-domain method on single field propagation in a 3D space. We consider a cavity model which includes two electric

Data Intensive Analysis of Biomolecular Simulations

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

Straatsma, TP; Soares, Thereza A.

2007-12-01

The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just asmore » in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an efficient analysis framework for very large scale trajectories on massively parallel architectures, (2) the development of novel methodologies that allow automated detection of events in these very large data sets, and (3) the efficient comparative analysis of multiple trajectories. The goal of the presented work is the development of new algorithms that will allow biomolecular simulation studies to become an integral tool to address the challenges of post-genomic biological research. The strategy to deliver the required data intensive computing applications that can effectively deal with the volume of simulation data that will become available is based on taking advantage of the capabilities offered by the use of large globally addressable memory architectures. The first requirement is the design of a flexible underlying data structure for single large trajectories that will form an adaptable framework for a wide range of analysis capabilities. The typical approach to trajectory analysis is to sequentially process trajectories time frame by time frame. This is the implementation found in molecular simulation codes such as NWChem, and has been designed in this way to be able to run on workstation computers and other architectures with an aggregate amount of memory that would not allow entire trajectories to be held in core. The consequence of this approach is an I/O dominated solution that scales very poorly on parallel machines. We are currently using an approach of developing tools specifically intended for use on large scale machines with sufficient main memory that entire trajectories can be held in core. This greatly reduces the cost of I/O as trajectories are read only once during the analysis. In our current Data Intensive Analysis (DIANA) implementation, each processor determines and skips to the entry within the trajectory that typically will be available in multiple files and independently from all other processors read the appropriate frames.« less

Data Intensive Analysis of Biomolecular Simulations

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

Straatsma, TP

2008-03-01

The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just asmore » in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an efficient analysis framework for very large scale trajectories on massively parallel architectures, (2) the development of novel methodologies that allow automated detection of events in these very large data sets, and (3) the efficient comparative analysis of multiple trajectories. The goal of the presented work is the development of new algorithms that will allow biomolecular simulation studies to become an integral tool to address the challenges of post-genomic biological research. The strategy to deliver the required data intensive computing applications that can effectively deal with the volume of simulation data that will become available is based on taking advantage of the capabilities offered by the use of large globally addressable memory architectures. The first requirement is the design of a flexible underlying data structure for single large trajectories that will form an adaptable framework for a wide range of analysis capabilities. The typical approach to trajectory analysis is to sequentially process trajectories time frame by time frame. This is the implementation found in molecular simulation codes such as NWChem, and has been designed in this way to be able to run on workstation computers and other architectures with an aggregate amount of memory that would not allow entire trajectories to be held in core. The consequence of this approach is an I/O dominated solution that scales very poorly on parallel machines. We are currently using an approach of developing tools specifically intended for use on large scale machines with sufficient main memory that entire trajectories can be held in core. This greatly reduces the cost of I/O as trajectories are read only once during the analysis. In our current Data Intensive Analysis (DIANA) implementation, each processor determines and skips to the entry within the trajectory that typically will be available in multiple files and independently from all other processors read the appropriate frames.« less

Computational fluid dynamics uses in fluid dynamics/aerodynamics education

NASA Technical Reports Server (NTRS)

Holst, Terry L.

1994-01-01

The field of computational fluid dynamics (CFD) has advanced to the point where it can now be used for the purpose of fluid dynamics physics education. Because of the tremendous wealth of information available from numerical simulation, certain fundamental concepts can be efficiently communicated using an interactive graphical interrogation of the appropriate numerical simulation data base. In other situations, a large amount of aerodynamic information can be communicated to the student by interactive use of simple CFD tools on a workstation or even in a personal computer environment. The emphasis in this presentation is to discuss ideas for how this process might be implemented. Specific examples, taken from previous publications, will be used to highlight the presentation.

Opportunities and pitfalls in clinical proof-of-concept: principles and examples.

PubMed

Chen, Chao

2018-04-01

Clinical proof-of-concept trials crucially inform major resource deployment decisions. This paper discusses several mechanisms for enhancing their rigour and efficiency. The importance of careful consideration when using a surrogate endpoint is illustrated; situational effectiveness of run-in patient enrichment is explored; a versatile tool is introduced to ensure a strong pharmacological underpinning; the benefits of dose-titration are revealed by simulation; and the importance of adequately scheduled observations is shown. The general process of model-based trial design and analysis is described and several examples demonstrate the value in historical data, simulation-guided design, model-based analysis and trial adaptation informed by interim analysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

Demonstration Of Ultra HI-FI (UHF) Methods

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.

2004-01-01

Computational aero-acoustics (CAA) requires efficient, high-resolution simulation tools. Most current techniques utilize finite-difference approaches because high order accuracy is considered too difficult or expensive to achieve with finite volume or finite element methods. However, a novel finite volume approach (Ultra HI-FI or UHF) which utilizes Hermite fluxes is presented which can achieve both arbitrary accuracy and fidelity in space and time. The technique can be applied to unstructured grids with some loss of fidelity or with multi-block structured grids for maximum efficiency and resolution. In either paradigm, it is possible to resolve ultra-short waves (less than 2 PPW). This is demonstrated here by solving the 4th CAA workshop Category 1 Problem 1.

Optimizing the ASC WAN: evaluating network performance tools for comparing transport protocols.

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

Lydick, Christopher L.

2007-07-01

The Advanced Simulation & Computing Wide Area Network (ASC WAN), which is a high delay-bandwidth network connection between US Department of Energy National Laboratories, is constantly being examined and evaluated for efficiency. One of the current transport-layer protocols which is used, TCP, was developed for traffic demands which are different from that on the ASC WAN. The Stream Control Transport Protocol (SCTP), on the other hand, has shown characteristics which make it more appealing to networks such as these. Most important, before considering a replacement for TCP on any network, a testing tool that performs well against certain criteria needsmore » to be found. In order to try to find such a tool, two popular networking tools (Netperf v.2.4.3 & v.2.4.6 (OpenSS7 STREAMS), and Iperf v.2.0.6) were tested. These tools implement both TCP and SCTP and were evaluated using four metrics: (1) How effectively can the tool reach a throughput near the bandwidth? (2) How much of the CPU does the tool utilize during operation? (3) Is the tool freely and widely available? And, (4) Is the tool actively developed? Following the analysis of those tools, this paper goes further into explaining some recommendations and ideas for future work.« less

Simulating the Performance of Ground-Based Optical Asteroid Surveys

NASA Astrophysics Data System (ADS)

Christensen, Eric J.; Shelly, Frank C.; Gibbs, Alex R.; Grauer, Albert D.; Hill, Richard E.; Johnson, Jess A.; Kowalski, Richard A.; Larson, Stephen M.

2014-11-01

We are developing a set of asteroid survey simulation tools in order to estimate the capability of existing and planned ground-based optical surveys, and to test a variety of possible survey cadences and strategies. The survey simulator is composed of several layers, including a model population of solar system objects and an orbital integrator, a site-specific atmospheric model (including inputs for seeing, haze and seasonal cloud cover), a model telescope (with a complete optical path to estimate throughput), a model camera (including FOV, pixel scale, and focal plane fill factor) and model source extraction and moving object detection layers with tunable detection requirements. We have also developed a flexible survey cadence planning tool to automatically generate nightly survey plans. Inputs to the cadence planner include camera properties (FOV, readout time), telescope limits (horizon, declination, hour angle, lunar and zenithal avoidance), preferred and restricted survey regions in RA/Dec, ecliptic, and Galactic coordinate systems, and recent coverage by other asteroid surveys. Simulated surveys are created for a subset of current and previous NEO surveys (LINEAR, Pan-STARRS and the three Catalina Sky Survey telescopes), and compared against the actual performance of these surveys in order to validate the model’s performance. The simulator tracks objects within the FOV of any pointing that were not discovered (e.g. too few observations, too trailed, focal plane array gaps, too fast or slow), thus dividing the population into “discoverable” and “discovered” subsets, to inform possible survey design changes. Ongoing and future work includes generating a realistic “known” subset of the model NEO population, running multiple independent simulated surveys in coordinated and uncoordinated modes, and testing various cadences to find optimal strategies for detecting NEO sub-populations. These tools can also assist in quantifying the efficiency of novel yet unverified survey cadences (e.g. the baseline LSST cadence) that sparsely spread the observations required for detection over several days or weeks.

Non-intrusive uncertainty quantification of computational fluid dynamics simulations: notes on the accuracy and efficiency

NASA Astrophysics Data System (ADS)

Zimoń, Małgorzata; Sawko, Robert; Emerson, David; Thompson, Christopher

2017-11-01

Uncertainty quantification (UQ) is increasingly becoming an indispensable tool for assessing the reliability of computational modelling. Efficient handling of stochastic inputs, such as boundary conditions, physical properties or geometry, increases the utility of model results significantly. We discuss the application of non-intrusive generalised polynomial chaos techniques in the context of fluid engineering simulations. Deterministic and Monte Carlo integration rules are applied to a set of problems, including ordinary differential equations and the computation of aerodynamic parameters subject to random perturbations. In particular, we analyse acoustic wave propagation in a heterogeneous medium to study the effects of mesh resolution, transients, number and variability of stochastic inputs. We consider variants of multi-level Monte Carlo and perform a novel comparison of the methods with respect to numerical and parametric errors, as well as computational cost. The results provide a comprehensive view of the necessary steps in UQ analysis and demonstrate some key features of stochastic fluid flow systems.

Efficient Bayesian mixed model analysis increases association power in large cohorts

PubMed Central

Loh, Po-Ru; Tucker, George; Bulik-Sullivan, Brendan K; Vilhjálmsson, Bjarni J; Finucane, Hilary K; Salem, Rany M; Chasman, Daniel I; Ridker, Paul M; Neale, Benjamin M; Berger, Bonnie; Patterson, Nick; Price, Alkes L

2014-01-01

Linear mixed models are a powerful statistical tool for identifying genetic associations and avoiding confounding. However, existing methods are computationally intractable in large cohorts, and may not optimize power. All existing methods require time cost O(MN2) (where N = #samples and M = #SNPs) and implicitly assume an infinitesimal genetic architecture in which effect sizes are normally distributed, which can limit power. Here, we present a far more efficient mixed model association method, BOLT-LMM, which requires only a small number of O(MN)-time iterations and increases power by modeling more realistic, non-infinitesimal genetic architectures via a Bayesian mixture prior on marker effect sizes. We applied BOLT-LMM to nine quantitative traits in 23,294 samples from the Women’s Genome Health Study (WGHS) and observed significant increases in power, consistent with simulations. Theory and simulations show that the boost in power increases with cohort size, making BOLT-LMM appealing for GWAS in large cohorts. PMID:25642633

Performance revaluation of a N-type coaxial HPGe detector with front edges crystal using MCNPX.

PubMed

Azli, Tarek; Chaoui, Zine-El-Abidine

2015-03-01

The MCNPX code was used to determine the efficiency of a N-type HPGe detector after two decades of operation. Accounting for the roundedness of the crystal`s front edges and an inhomogeneous description of the detector's dead layers were shown to achieve better agreement between measurements and simulation efficiency determination. The calculations were experimentally verified using point sources in the energy range from 50keV to 1400keV, and an overall uncertainty less than 2% was achieved. In order to use the detector for different matrices and geometries in radioactivity, the suggested model was validated by changing the counting geometry and by using multi-gamma disc sources. The introduced simulation approach permitted the revaluation of the performance of an HPGe detector in comparison of its initial condition, which is a useful tool for precise determination of the thickness of the inhomogeneous dead layer. Copyright © 2014 Elsevier Ltd. All rights reserved.

Efficient 3D kinetic Monte Carlo method for modeling of molecular structure and dynamics.

PubMed

Panshenskov, Mikhail; Solov'yov, Ilia A; Solov'yov, Andrey V

2014-06-30

Self-assembly of molecular systems is an important and general problem that intertwines physics, chemistry, biology, and material sciences. Through understanding of the physical principles of self-organization, it often becomes feasible to control the process and to obtain complex structures with tailored properties, for example, bacteria colonies of cells or nanodevices with desired properties. Theoretical studies and simulations provide an important tool for unraveling the principles of self-organization and, therefore, have recently gained an increasing interest. The present article features an extension of a popular code MBN EXPLORER (MesoBioNano Explorer) aiming to provide a universal approach to study self-assembly phenomena in biology and nanoscience. In particular, this extension involves a highly parallelized module of MBN EXPLORER that allows simulating stochastic processes using the kinetic Monte Carlo approach in a three-dimensional space. We describe the computational side of the developed code, discuss its efficiency, and apply it for studying an exemplary system. Copyright © 2014 Wiley Periodicals, Inc.

Development Of A Parallel Performance Model For The THOR Neutral Particle Transport Code

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

Yessayan, Raffi; Azmy, Yousry; Schunert, Sebastian

The THOR neutral particle transport code enables simulation of complex geometries for various problems from reactor simulations to nuclear non-proliferation. It is undergoing a thorough V&V requiring computational efficiency. This has motivated various improvements including angular parallelization, outer iteration acceleration, and development of peripheral tools. For guiding future improvements to the code’s efficiency, better characterization of its parallel performance is useful. A parallel performance model (PPM) can be used to evaluate the benefits of modifications and to identify performance bottlenecks. Using INL’s Falcon HPC, the PPM development incorporates an evaluation of network communication behavior over heterogeneous links and a functionalmore » characterization of the per-cell/angle/group runtime of each major code component. After evaluating several possible sources of variability, this resulted in a communication model and a parallel portion model. The former’s accuracy is bounded by the variability of communication on Falcon while the latter has an error on the order of 1%.« less

Efficient tomography of a quantum many-body system

NASA Astrophysics Data System (ADS)

Lanyon, B. P.; Maier, C.; Holzäpfel, M.; Baumgratz, T.; Hempel, C.; Jurcevic, P.; Dhand, I.; Buyskikh, A. S.; Daley, A. J.; Cramer, M.; Plenio, M. B.; Blatt, R.; Roos, C. F.

2017-12-01

Quantum state tomography is the standard technique for estimating the quantum state of small systems. But its application to larger systems soon becomes impractical as the required resources scale exponentially with the size. Therefore, considerable effort is dedicated to the development of new characterization tools for quantum many-body states. Here we demonstrate matrix product state tomography, which is theoretically proven to allow for the efficient and accurate estimation of a broad class of quantum states. We use this technique to reconstruct the dynamical state of a trapped-ion quantum simulator comprising up to 14 entangled and individually controlled spins: a size far beyond the practical limits of quantum state tomography. Our results reveal the dynamical growth of entanglement and describe its complexity as correlations spread out during a quench: a necessary condition for future demonstrations of better-than-classical performance. Matrix product state tomography should therefore find widespread use in the study of large quantum many-body systems and the benchmarking and verification of quantum simulators and computers.

A Machine Learning Method for the Prediction of Receptor Activation in the Simulation of Synapses

PubMed Central

Montes, Jesus; Gomez, Elena; Merchán-Pérez, Angel; DeFelipe, Javier; Peña, Jose-Maria

2013-01-01

Chemical synaptic transmission involves the release of a neurotransmitter that diffuses in the extracellular space and interacts with specific receptors located on the postsynaptic membrane. Computer simulation approaches provide fundamental tools for exploring various aspects of the synaptic transmission under different conditions. In particular, Monte Carlo methods can track the stochastic movements of neurotransmitter molecules and their interactions with other discrete molecules, the receptors. However, these methods are computationally expensive, even when used with simplified models, preventing their use in large-scale and multi-scale simulations of complex neuronal systems that may involve large numbers of synaptic connections. We have developed a machine-learning based method that can accurately predict relevant aspects of the behavior of synapses, such as the percentage of open synaptic receptors as a function of time since the release of the neurotransmitter, with considerably lower computational cost compared with the conventional Monte Carlo alternative. The method is designed to learn patterns and general principles from a corpus of previously generated Monte Carlo simulations of synapses covering a wide range of structural and functional characteristics. These patterns are later used as a predictive model of the behavior of synapses under different conditions without the need for additional computationally expensive Monte Carlo simulations. This is performed in five stages: data sampling, fold creation, machine learning, validation and curve fitting. The resulting procedure is accurate, automatic, and it is general enough to predict synapse behavior under experimental conditions that are different to the ones it has been trained on. Since our method efficiently reproduces the results that can be obtained with Monte Carlo simulations at a considerably lower computational cost, it is suitable for the simulation of high numbers of synapses and it is therefore an excellent tool for multi-scale simulations. PMID:23894367

A comprehensive guide for designing more efficient irrigation systems with respect to application control

NASA Astrophysics Data System (ADS)

Khaddam, Issam; Schuetze, Niels

2017-04-01

The worldwide water scarcity problems are expected to aggravate due to the increasing population and the need to produce more food. Irrigated agriculture is considered the highest consumer of fresh water resources with a rate exceeds 70% of global consumption. Consequently, an improvement in the efficiency of all irrigation methods, such as furrow or drip irrigation, becomes more necessary and urgent. Therefore, a more precise knowledge about soil water distribution in the root zone and the water balance components is required. For this purpose and as a part of the SAPHIR project (Saxonian Platform for high Performance Irrigation), a 2D simulation- based study was performed with virtual field conditions. The study investigates the most important design parameters of many irrigation systems, such as irrigation intensity and duration, and shows there influence on the water distribution efficiency. Furthermore, three main soil textures are used to test the impact of the soil hydraulic properties on irrigation effectiveness. A numerous number of irrigation scenarios of each irrigation system was simulated using HYDRUS 2D. Thereafter, the results were digitally calculated, compiled and made available online in the so called "Irrigation Atlases". The irrigation atlases provide graphical results of the soil moisture and pressure head distributions in the root zone. Moreover, they contain detailed information of the water balance for all simulated scenarios. The most studies evaluate the irrigation water demands on local, regional or global scales and for that an efficient water distribution is required. In this context, the irrigation atlases can serve as a valuable tool for the implementation of planned irrigation measures.

A fast method for optical simulation of flood maps of light-sharing detector modules.

PubMed

Shi, Han; Du, Dong; Xu, JianFeng; Moses, William W; Peng, Qiyu

2015-12-01

Optical simulation of the detector module level is highly desired for Position Emission Tomography (PET) system design. Commonly used simulation toolkits such as GATE are not efficient in the optical simulation of detector modules with complicated light-sharing configurations, where a vast amount of photons need to be tracked. We present a fast approach based on a simplified specular reflectance model and a structured light-tracking algorithm to speed up the photon tracking in detector modules constructed with polished finish and specular reflector materials. We simulated conventional block detector designs with different slotted light guide patterns using the new approach and compared the outcomes with those from GATE simulations. While the two approaches generated comparable flood maps, the new approach was more than 200-600 times faster. The new approach has also been validated by constructing a prototype detector and comparing the simulated flood map with the experimental flood map. The experimental flood map has nearly uniformly distributed spots similar to those in the simulated flood map. In conclusion, the new approach provides a fast and reliable simulation tool for assisting in the development of light-sharing-based detector modules with a polished surface finish and using specular reflector materials.

VARS-TOOL: A Comprehensive, Efficient, and Robust Sensitivity Analysis Toolbox

NASA Astrophysics Data System (ADS)

Razavi, S.; Sheikholeslami, R.; Haghnegahdar, A.; Esfahbod, B.

2016-12-01

VARS-TOOL is an advanced sensitivity and uncertainty analysis toolbox, applicable to the full range of computer simulation models, including Earth and Environmental Systems Models (EESMs). The toolbox was developed originally around VARS (Variogram Analysis of Response Surfaces), which is a general framework for Global Sensitivity Analysis (GSA) that utilizes the variogram/covariogram concept to characterize the full spectrum of sensitivity-related information, thereby providing a comprehensive set of "global" sensitivity metrics with minimal computational cost. VARS-TOOL is unique in that, with a single sample set (set of simulation model runs), it generates simultaneously three philosophically different families of global sensitivity metrics, including (1) variogram-based metrics called IVARS (Integrated Variogram Across a Range of Scales - VARS approach), (2) variance-based total-order effects (Sobol approach), and (3) derivative-based elementary effects (Morris approach). VARS-TOOL is also enabled with two novel features; the first one being a sequential sampling algorithm, called Progressive Latin Hypercube Sampling (PLHS), which allows progressively increasing the sample size for GSA while maintaining the required sample distributional properties. The second feature is a "grouping strategy" that adaptively groups the model parameters based on their sensitivity or functioning to maximize the reliability of GSA results. These features in conjunction with bootstrapping enable the user to monitor the stability, robustness, and convergence of GSA with the increase in sample size for any given case study. VARS-TOOL has been shown to achieve robust and stable results within 1-2 orders of magnitude smaller sample sizes (fewer model runs) than alternative tools. VARS-TOOL, available in MATLAB and Python, is under continuous development and new capabilities and features are forthcoming.

Parallel Implementation of Triangular Cellular Automata for Computing Two-Dimensional Elastodynamic Response on Arbitrary Domains

NASA Astrophysics Data System (ADS)

Leamy, Michael J.; Springer, Adam C.

In this research we report parallel implementation of a Cellular Automata-based simulation tool for computing elastodynamic response on complex, two-dimensional domains. Elastodynamic simulation using Cellular Automata (CA) has recently been presented as an alternative, inherently object-oriented technique for accurately and efficiently computing linear and nonlinear wave propagation in arbitrarily-shaped geometries. The local, autonomous nature of the method should lead to straight-forward and efficient parallelization. We address this notion on symmetric multiprocessor (SMP) hardware using a Java-based object-oriented CA code implementing triangular state machines (i.e., automata) and the MPI bindings written in Java (MPJ Express). We use MPJ Express to reconfigure our existing CA code to distribute a domain's automata to cores present on a dual quad-core shared-memory system (eight total processors). We note that this message passing parallelization strategy is directly applicable to computer clustered computing, which will be the focus of follow-on research. Results on the shared memory platform indicate nearly-ideal, linear speed-up. We conclude that the CA-based elastodynamic simulator is easily configured to run in parallel, and yields excellent speed-up on SMP hardware.

Design of an optical system for interrogation of implanted luminescent sensors and verification with silicone skin phantoms.

PubMed

Long, Ruiqi; McShane, Mike

2012-09-01

Implantable luminescent sensors are being developed for on-demand monitoring of blood glucose levels. For these sensors to be deployed in vivo, a matched external hardware system is needed. In this paper, we designed a compact, low-cost optical system with highly efficient photon delivery and collection using advanced optical modeling software. Compared to interrogation with a fiber bundle, the new system was predicted to improve interrogation efficiency by a factor of 200 for native sensors; an improvement of 37 times was predicted for sensors implanted at a depth of 1 mm in a skin-simulating phantom. A physical prototype was tested using silicone-based skin phantoms developed specifically to mimic the scattering and absorbing properties of human skin. The experimental evaluations revealed that the prototype device performed in agreement with expectations from simulation results, resulting in an overall improvement of over 2000 times. This efficient system enables use of a low-cost commercial spectrometer for recording sensor emission, which was not possible using only fiber optic delivery and collection, and will be used as a tool for in vivo studies with animal models or human subjects.

Efficiency of reactant site sampling in network-free simulation of rule-based models for biochemical systems

PubMed Central

Yang, Jin; Hlavacek, William S.

2011-01-01

Rule-based models, which are typically formulated to represent cell signaling systems, can now be simulated via various network-free simulation methods. In a network-free method, reaction rates are calculated for rules that characterize molecular interactions, and these rule rates, which each correspond to the cumulative rate of all reactions implied by a rule, are used to perform a stochastic simulation of reaction kinetics. Network-free methods, which can be viewed as generalizations of Gillespie’s method, are so named because these methods do not require that a list of individual reactions implied by a set of rules be explicitly generated, which is a requirement of other methods for simulating rule-based models. This requirement is impractical for rule sets that imply large reaction networks (i.e., long lists of individual reactions), as reaction network generation is expensive. Here, we compare the network-free simulation methods implemented in RuleMonkey and NFsim, general-purpose software tools for simulating rule-based models encoded in the BioNetGen language. The method implemented in NFsim uses rejection sampling to correct overestimates of rule rates, which introduces null events (i.e., time steps that do not change the state of the system being simulated). The method implemented in RuleMonkey uses iterative updates to track rule rates exactly, which avoids null events. To ensure a fair comparison of the two methods, we developed implementations of the rejection and rejection-free methods specific to a particular class of kinetic models for multivalent ligand-receptor interactions. These implementations were written with the intention of making them as much alike as possible, minimizing the contribution of irrelevant coding differences to efficiency differences. Simulation results show that performance of the rejection method is equal to or better than that of the rejection-free method over wide parameter ranges. However, when parameter values are such that ligand-induced aggregation of receptors yields a large connected receptor cluster, the rejection-free method is more efficient. PMID:21832806

Multidimensional Multiphysics Simulation of TRISO Particle Fuel

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

J. D. Hales; R. L. Williamson; S. R. Novascone

2013-11-01

Multidimensional multiphysics analysis of TRISO-coated particle fuel using the BISON finite-element based nuclear fuels code is described. The governing equations and material models applicable to particle fuel and implemented in BISON are outlined. Code verification based on a recent IAEA benchmarking exercise is described, and excellant comparisons are reported. Multiple TRISO-coated particles of increasing geometric complexity are considered. It is shown that the code's ability to perform large-scale parallel computations permits application to complex 3D phenomena while very efficient solutions for either 1D spherically symmetric or 2D axisymmetric geometries are straightforward. Additionally, the flexibility to easily include new physical andmore » material models and uncomplicated ability to couple to lower length scale simulations makes BISON a powerful tool for simulation of coated-particle fuel. Future code development activities and potential applications are identified.« less

Employing inquiry-based computer simulations and embedded scientist videos to teach challenging climate change and nature of science concepts

NASA Astrophysics Data System (ADS)

Cohen, Edward Charles

Design based research was utilized to investigate how students use a greenhouse effect simulation in order to derive best learning practices. During this process, students recognized the authentic scientific process involving computer simulations. The simulation used is embedded within an inquiry-based technology-mediated science curriculum known as Web-based Inquiry Science Environment (WISE). For this research, students from a suburban, diverse, middle school setting use the simulations as part of a two week-long class unit on climate change. A pilot study was conducted during phase one of the research that informed phase two, which encompasses the dissertation. During the pilot study, as students worked through the simulation, evidence of shifts in student motivation, understanding of science content, and ideas about the nature of science became present using a combination of student interviews, focus groups, and students' conversations. Outcomes of the pilot study included improvements to the pedagogical approach. Allowing students to do "Extreme Testing" (e.g., making the world as hot or cold as possible) and increasing the time for free exploration of the simulation are improvements made as a result of the findings of the pilot study. In the dissertation (phase two of the research design) these findings were implemented in a new curriculum scaled for 85 new students from the same school during the next school year. The modifications included new components implementing simulations as an assessment tool for all students and embedded modeling tools. All students were asked to build pre and post models, however due to technological constraints these were not an effective tool. A non-video group of 44 students was established and another group of 41 video students had a WISE curriculum which included twelve minutes of scientists' conversational videos referencing explicit aspects on the nature of science, specifically the use of models and simulations in science. The students in the video group had marked improvement compared to the non-video group on questions regarding modeling as a tool for representing objects and processes of science modeling aspects as evident by multiple data sources. The findings from the dissertation have potential impacts on improving Nature of Science (NOS) concepts around modeling by efficiently embedding short authentic scientific videos that can be easily used by many educators. Compared to published assessments by the American Association for the Advancement of Science (AAAS), due to the curriculum interventions both groups scored higher than the average United States middle school student on many NOS and climate content constructs.

Employing Inquiry-Based Computer Simulations and Embedded Scientist Videos To Teach Challenging Climate Change and Nature of Science Concepts

NASA Astrophysics Data System (ADS)

Cohen, E.

2013-12-01

Design based research was utilized to investigate how students use a greenhouse effect simulation in order to derive best learning practices. During this process, students recognized the authentic scientific process involving computer simulations. The simulation used is embedded within an inquiry-based technology-mediated science curriculum known as Web-based Inquiry Science Environment (WISE). For this research, students from a suburban, diverse, middle school setting use the simulations as part of a two week-long class unit on climate change. A pilot study was conducted during phase one of the research that informed phase two, which encompasses the dissertation. During the pilot study, as students worked through the simulation, evidence of shifts in student motivation, understanding of science content, and ideas about the nature of science became present using a combination of student interviews, focus groups, and students' conversations. Outcomes of the pilot study included improvements to the pedagogical approach. Allowing students to do 'Extreme Testing' (e.g., making the world as hot or cold as possible) and increasing the time for free exploration of the simulation are improvements made as a result of the findings of the pilot study. In the dissertation (phase two of the research design) these findings were implemented in a new curriculum scaled for 85 new students from the same school during the next school year. The modifications included new components implementing simulations as an assessment tool for all students and embedded modeling tools. All students were asked to build pre and post models, however due to technological constraints these were not an effective tool. A non-video group of 44 students was established and another group of 41 video students had a WISE curriculum which included twelve minutes of scientists' conversational videos referencing explicit aspects on the nature of science, specifically the use of models and simulations in science. The students in the video group had marked improvement compared to the non-video group on questions regarding modeling as a tool for representing objects and processes of science modeling aspects as evident by multiple data sources. The findings from the dissertation have potential impacts on improving Nature of Science (NOS) concepts around modeling by efficiently embedding short authentic scientific videos that can be easily used by many educators. Compared to published assessments by the American Association for the Advancement of Science (AAAS), due to the curriculum interventions both groups scored higher than the average United States middle school student on many NOS and climate content constructs.

The technique of entropy optimization in motor current signature analysis and its application in the fault diagnosis of gear transmission

NASA Astrophysics Data System (ADS)

Chen, Xiaoguang; Liang, Lin; Liu, Fei; Xu, Guanghua; Luo, Ailing; Zhang, Sicong

2012-05-01

Nowadays, Motor Current Signature Analysis (MCSA) is widely used in the fault diagnosis and condition monitoring of machine tools. However, although the current signal has lower SNR (Signal Noise Ratio), it is difficult to identify the feature frequencies of machine tools from complex current spectrum that the feature frequencies are often dense and overlapping by traditional signal processing method such as FFT transformation. With the study in the Motor Current Signature Analysis (MCSA), it is found that the entropy is of importance for frequency identification, which is associated with the probability distribution of any random variable. Therefore, it plays an important role in the signal processing. In order to solve the problem that the feature frequencies are difficult to be identified, an entropy optimization technique based on motor current signal is presented in this paper for extracting the typical feature frequencies of machine tools which can effectively suppress the disturbances. Some simulated current signals were made by MATLAB, and a current signal was obtained from a complex gearbox of an iron works made in Luxembourg. In diagnosis the MCSA is combined with entropy optimization. Both simulated and experimental results show that this technique is efficient, accurate and reliable enough to extract the feature frequencies of current signal, which provides a new strategy for the fault diagnosis and the condition monitoring of machine tools.

Modified subaperture tool influence functions of a flat-pitch polisher with reverse-calculated material removal rate.

PubMed

Dong, Zhichao; Cheng, Haobo; Tam, Hon-Yuen

2014-04-10

Numerical simulation of subaperture tool influence functions (TIF) is widely known as a critical procedure in computer-controlled optical surfacing. However, it may lack practicability in engineering because the emulation TIF (e-TIF) has some discrepancy with the practical TIF (p-TIF), and the removal rate could not be predicted by simulations. Prior to the polishing of a formal workpiece, opticians have to conduct TIF spot experiments on another sample to confirm the p-TIF with a quantitative removal rate, which is difficult and time-consuming for sequential polishing runs with different tools. This work is dedicated to applying these e-TIFs into practical engineering by making improvements from two aspects: (1) modifies the pressure distribution model of a flat-pitch polisher by finite element analysis and least square fitting methods to make the removal shape of e-TIFs closer to p-TIFs (less than 5% relative deviation validated by experiments); (2) predicts the removal rate of e-TIFs by reverse calculating the material removal volume of a pre-polishing run to the formal workpiece (relative deviations of peak and volume removal rate were validated to be less than 5%). This can omit TIF spot experiments for the particular flat-pitch tool employed and promote the direct usage of e-TIFs in the optimization of a dwell time map, which can largely save on cost and increase fabrication efficiency.

Advanced control design for hybrid turboelectric vehicle

NASA Technical Reports Server (NTRS)

Abban, Joseph; Norvell, Johnesta; Momoh, James A.

1995-01-01

The new environment standards are a challenge and opportunity for industry and government who manufacture and operate urban mass transient vehicles. A research investigation to provide control scheme for efficient power management of the vehicle is in progress. Different design requirements using functional analysis and trade studies of alternate power sources and controls have been performed. The design issues include portability, weight and emission/fuel efficiency of induction motor, permanent magnet and battery. A strategic design scheme to manage power requirements using advanced control systems is presented. It exploits fuzzy logic, technology and rule based decision support scheme. The benefits of our study will enhance the economic and technical feasibility of technological needs to provide low emission/fuel efficient urban mass transit bus. The design team includes undergraduate researchers in our department. Sample results using NASA HTEV simulation tool are presented.

Harnessing the power of emerging petascale platforms

NASA Astrophysics Data System (ADS)

Mellor-Crummey, John

2007-07-01

As part of the US Department of Energy's Scientific Discovery through Advanced Computing (SciDAC-2) program, science teams are tackling problems that require computational simulation and modeling at the petascale. A grand challenge for computer science is to develop software technology that makes it easier to harness the power of these systems to aid scientific discovery. As part of its activities, the SciDAC-2 Center for Scalable Application Development Software (CScADS) is building open source software tools to support efficient scientific computing on the emerging leadership-class platforms. In this paper, we describe two tools for performance analysis and tuning that are being developed as part of CScADS: a tool for analyzing scalability and performance, and a tool for optimizing loop nests for better node performance. We motivate these tools by showing how they apply to S3D, a turbulent combustion code under development at Sandia National Laboratory. For S3D, our node performance analysis tool helped uncover several performance bottlenecks. Using our loop nest optimization tool, we transformed S3D's most costly loop nest to reduce execution time by a factor of 2.94 for a processor working on a 503 domain.

Assessing the potential of economic instruments for managing drought risk at river basin scale

NASA Astrophysics Data System (ADS)

Pulido-Velazquez, M.; Lopez-Nicolas, A.; Macian-Sorribes, H.

2015-12-01

Economic instruments work as incentives to adapt individual decisions to collectively agreed goals. Different types of economic instruments have been applied to manage water resources, such as water-related taxes and charges (water pricing, environmental taxes, etc.), subsidies, markets or voluntary agreements. Hydroeconomic models (HEM) provide useful insight on optimal strategies for coping with droughts by simultaneously analysing engineering, hydrology and economics of water resources management. We use HEMs for evaluating the potential of economic instruments on managing drought risk at river basin scale, considering three criteria for assessing drought risk: reliability, resilience and vulnerability. HEMs allow to calculate water scarcity costs as the economic losses due to water deliveries below the target demands, which can be used as a vulnerability descriptor of drought risk. Two generic hydroeconomic DSS tools, SIMGAMS and OPTIGAMS ( both programmed in GAMS) have been developed to evaluate water scarcity cost at river basin scale based on simulation and optimization approaches. The simulation tool SIMGAMS allocates water according to the system priorities and operating rules, and evaluate the scarcity costs using economic demand functions. The optimization tool allocates water resources for maximizing net benefits (minimizing total water scarcity plus operating cost of water use). SIMGAS allows to simulate incentive water pricing policies based on water availability in the system (scarcity pricing), while OPTIGAMS is used to simulate the effect of ideal water markets by economic optimization. These tools have been applied to the Jucar river system (Spain), highly regulated and with high share of water use for crop irrigation (greater than 80%), where water scarcity, irregular hydrology and groundwater overdraft cause droughts to have significant economic, social and environmental consequences. An econometric model was first used to explain the variation of the production value of irrigated agriculture during droughts, assessing revenue responses to varying crop prices and water availability. Hydroeconomic approaches were then used to show the potential of economic instruments in setting incentives for a more efficient management of water resources systems.