Parallelization of TWOPORFLOW, a Cartesian Grid based Two-phase Porous Media Code for Transient Thermo-hydraulic Simulations

NASA Astrophysics Data System (ADS)

Trost, Nico; Jiménez, Javier; Imke, Uwe; Sanchez, Victor

2014-06-01

TWOPORFLOW is a thermo-hydraulic code based on a porous media approach to simulate single- and two-phase flow including boiling. It is under development at the Institute for Neutron Physics and Reactor Technology (INR) at KIT. The code features a 3D transient solution of the mass, momentum and energy conservation equations for two inter-penetrating fluids with a semi-implicit continuous Eulerian type solver. The application domain of TWOPORFLOW includes the flow in standard porous media and in structured porous media such as micro-channels and cores of nuclear power plants. In the latter case, the fluid domain is coupled to a fuel rod model, describing the heat flow inside the solid structure. In this work, detailed profiling tools have been utilized to determine the optimization potential of TWOPORFLOW. As a result, bottle-necks were identified and reduced in the most feasible way, leading for instance to an optimization of the water-steam property computation. Furthermore, an OpenMP implementation addressing the routines in charge of inter-phase momentum-, energy- and mass-coupling delivered good performance together with a high scalability on shared memory architectures. In contrast to that, the approach for distributed memory systems was to solve sub-problems resulting by the decomposition of the initial Cartesian geometry. Thread communication for the sub-problem boundary updates was accomplished by the Message Passing Interface (MPI) standard.

A smooth particle hydrodynamics code to model collisions between solid, self-gravitating objects

NASA Astrophysics Data System (ADS)

Schäfer, C.; Riecker, S.; Maindl, T. I.; Speith, R.; Scherrer, S.; Kley, W.

2016-05-01

Context. Modern graphics processing units (GPUs) lead to a major increase in the performance of the computation of astrophysical simulations. Owing to the different nature of GPU architecture compared to traditional central processing units (CPUs) such as x86 architecture, existing numerical codes cannot be easily migrated to run on GPU. Here, we present a new implementation of the numerical method smooth particle hydrodynamics (SPH) using CUDA and the first astrophysical application of the new code: the collision between Ceres-sized objects. Aims: The new code allows for a tremendous increase in speed of astrophysical simulations with SPH and self-gravity at low costs for new hardware. Methods: We have implemented the SPH equations to model gas, liquids and elastic, and plastic solid bodies and added a fragmentation model for brittle materials. Self-gravity may be optionally included in the simulations and is treated by the use of a Barnes-Hut tree. Results: We find an impressive performance gain using NVIDIA consumer devices compared to our existing OpenMP code. The new code is freely available to the community upon request. If you are interested in our CUDA SPH code miluphCUDA, please write an email to Christoph Schäfer. miluphCUDA is the CUDA port of miluph. miluph is pronounced [maßl2v]. We do not support the use of the code for military purposes.

BEAGLE: an application programming interface and high-performance computing library for statistical phylogenetics.

PubMed

Ayres, Daniel L; Darling, Aaron; Zwickl, Derrick J; Beerli, Peter; Holder, Mark T; Lewis, Paul O; Huelsenbeck, John P; Ronquist, Fredrik; Swofford, David L; Cummings, Michael P; Rambaut, Andrew; Suchard, Marc A

2012-01-01

Phylogenetic inference is fundamental to our understanding of most aspects of the origin and evolution of life, and in recent years, there has been a concentration of interest in statistical approaches such as Bayesian inference and maximum likelihood estimation. Yet, for large data sets and realistic or interesting models of evolution, these approaches remain computationally demanding. High-throughput sequencing can yield data for thousands of taxa, but scaling to such problems using serial computing often necessitates the use of nonstatistical or approximate approaches. The recent emergence of graphics processing units (GPUs) provides an opportunity to leverage their excellent floating-point computational performance to accelerate statistical phylogenetic inference. A specialized library for phylogenetic calculation would allow existing software packages to make more effective use of available computer hardware, including GPUs. Adoption of a common library would also make it easier for other emerging computing architectures, such as field programmable gate arrays, to be used in the future. We present BEAGLE, an application programming interface (API) and library for high-performance statistical phylogenetic inference. The API provides a uniform interface for performing phylogenetic likelihood calculations on a variety of compute hardware platforms. The library includes a set of efficient implementations and can currently exploit hardware including GPUs using NVIDIA CUDA, central processing units (CPUs) with Streaming SIMD Extensions and related processor supplementary instruction sets, and multicore CPUs via OpenMP. To demonstrate the advantages of a common API, we have incorporated the library into several popular phylogenetic software packages. The BEAGLE library is free open source software licensed under the Lesser GPL and available from http://beagle-lib.googlecode.com. An example client program is available as public domain software.

BEAGLE: An Application Programming Interface and High-Performance Computing Library for Statistical Phylogenetics

PubMed Central

Ayres, Daniel L.; Darling, Aaron; Zwickl, Derrick J.; Beerli, Peter; Holder, Mark T.; Lewis, Paul O.; Huelsenbeck, John P.; Ronquist, Fredrik; Swofford, David L.; Cummings, Michael P.; Rambaut, Andrew; Suchard, Marc A.

2012-01-01

Abstract Phylogenetic inference is fundamental to our understanding of most aspects of the origin and evolution of life, and in recent years, there has been a concentration of interest in statistical approaches such as Bayesian inference and maximum likelihood estimation. Yet, for large data sets and realistic or interesting models of evolution, these approaches remain computationally demanding. High-throughput sequencing can yield data for thousands of taxa, but scaling to such problems using serial computing often necessitates the use of nonstatistical or approximate approaches. The recent emergence of graphics processing units (GPUs) provides an opportunity to leverage their excellent floating-point computational performance to accelerate statistical phylogenetic inference. A specialized library for phylogenetic calculation would allow existing software packages to make more effective use of available computer hardware, including GPUs. Adoption of a common library would also make it easier for other emerging computing architectures, such as field programmable gate arrays, to be used in the future. We present BEAGLE, an application programming interface (API) and library for high-performance statistical phylogenetic inference. The API provides a uniform interface for performing phylogenetic likelihood calculations on a variety of compute hardware platforms. The library includes a set of efficient implementations and can currently exploit hardware including GPUs using NVIDIA CUDA, central processing units (CPUs) with Streaming SIMD Extensions and related processor supplementary instruction sets, and multicore CPUs via OpenMP. To demonstrate the advantages of a common API, we have incorporated the library into several popular phylogenetic software packages. The BEAGLE library is free open source software licensed under the Lesser GPL and available from http://beagle-lib.googlecode.com. An example client program is available as public domain software. PMID:21963610

GAMERA - The New Magnetospheric Code

NASA Astrophysics Data System (ADS)

Lyon, J.; Sorathia, K.; Zhang, B.; Merkin, V. G.; Wiltberger, M. J.; Daldorff, L. K. S.

2017-12-01

The Lyon-Fedder-Mobarry (LFM) code has been a main-line magnetospheric simulation code for 30 years. The code base, designed in the age of memory to memory vector ma- chines,is still in wide use for science production but needs upgrading to ensure the long term sustainability. In this presentation, we will discuss our recent efforts to update and improve that code base and also highlight some recent results. The new project GAM- ERA, Grid Agnostic MHD for Extended Research Applications, has kept the original design characteristics of the LFM and made significant improvements. The original de- sign included high order numerical differencing with very aggressive limiting, the ability to use arbitrary, but logically rectangular, grids, and maintenance of div B = 0 through the use of the Yee grid. Significant improvements include high-order upwinding and a non-clipping limiter. One other improvement with wider applicability is an im- proved averaging technique for the singularities in polar and spherical grids. The new code adopts a hybrid structure - multi-threaded OpenMP with an overarching MPI layer for large scale and coupled applications. The MPI layer uses a combination of standard MPI and the Global Array Toolkit from PNL to provide a lightweight mechanism for coupling codes together concurrently. The single processor code is highly efficient and can run magnetospheric simulations at the default CCMC resolution faster than real time on a MacBook pro. We have run the new code through the Athena suite of tests, and the results compare favorably with the codes available to the astrophysics community. LFM/GAMERA has been applied to many different situations ranging from the inner and outer heliosphere and magnetospheres of Venus, the Earth, Jupiter and Saturn. We present example results the Earth's magnetosphere including a coupled ring current (RCM), the magnetospheres of Jupiter and Saturn, and the inner heliosphere.

Multi-core and GPU accelerated simulation of a radial star target imaged with equivalent t-number circular and Gaussian pupils

NASA Astrophysics Data System (ADS)

Greynolds, Alan W.

2013-09-01

Results from the GelOE optical engineering software are presented for the through-focus, monochromatic coherent and polychromatic incoherent imaging of a radial "star" target for equivalent t-number circular and Gaussian pupils. The FFT-based simulations are carried out using OpenMP threading on a multi-core desktop computer, with and without the aid of a many-core NVIDIA GPU accessing its cuFFT library. It is found that a custom FFT optimized for the 12-core host has similar performance to a simply implemented 256-core GPU FFT. A more sophisticated version of the latter but tuned to reduce overhead on a 448-core GPU is 20 to 28 times faster than a basic FFT implementation running on one CPU core.

OSCAR API for Real-Time Low-Power Multicores and Its Performance on Multicores and SMP Servers

NASA Astrophysics Data System (ADS)

Kimura, Keiji; Mase, Masayoshi; Mikami, Hiroki; Miyamoto, Takamichi; Shirako, Jun; Kasahara, Hironori

OSCAR (Optimally Scheduled Advanced Multiprocessor) API has been designed for real-time embedded low-power multicores to generate parallel programs for various multicores from different vendors by using the OSCAR parallelizing compiler. The OSCAR API has been developed by Waseda University in collaboration with Fujitsu Laboratory, Hitachi, NEC, Panasonic, Renesas Technology, and Toshiba in an METI/NEDO project entitled "Multicore Technology for Realtime Consumer Electronics." By using the OSCAR API as an interface between the OSCAR compiler and backend compilers, the OSCAR compiler enables hierarchical multigrain parallel processing with memory optimization under capacity restriction for cache memory, local memory, distributed shared memory, and on-chip/off-chip shared memory; data transfer using a DMA controller; and power reduction control using DVFS (Dynamic Voltage and Frequency Scaling), clock gating, and power gating for various embedded multicores. In addition, a parallelized program automatically generated by the OSCAR compiler with OSCAR API can be compiled by the ordinary OpenMP compilers since the OSCAR API is designed on a subset of the OpenMP. This paper describes the OSCAR API and its compatibility with the OSCAR compiler by showing code examples. Performance evaluations of the OSCAR compiler and the OSCAR API are carried out using an IBM Power5+ workstation, an IBM Power6 high-end SMP server, and a newly developed consumer electronics multicore chip RP2 by Renesas, Hitachi and Waseda. From the results of scalability evaluation, it is found that on an average, the OSCAR compiler with the OSCAR API can exploit 5.8 times speedup over the sequential execution on the Power5+ workstation with eight cores and 2.9 times speedup on RP2 with four cores, respectively. In addition, the OSCAR compiler can accelerate an IBM XL Fortran compiler up to 3.3 times on the Power6 SMP server. Due to low-power optimization on RP2, the OSCAR compiler with the OSCAR API achieves a maximum power reduction of 84% in the real-time execution mode.

Neptune: An astrophysical smooth particle hydrodynamics code for massively parallel computer architectures

NASA Astrophysics Data System (ADS)

Sandalski, Stou

Smooth particle hydrodynamics is an efficient method for modeling the dynamics of fluids. It is commonly used to simulate astrophysical processes such as binary mergers. We present a newly developed GPU accelerated smooth particle hydrodynamics code for astrophysical simulations. The code is named neptune after the Roman god of water. It is written in OpenMP parallelized C++ and OpenCL and includes octree based hydrodynamic and gravitational acceleration. The design relies on object-oriented methodologies in order to provide a flexible and modular framework that can be easily extended and modified by the user. Several pre-built scenarios for simulating collisions of polytropes and black-hole accretion are provided. The code is released under the MIT Open Source license and publicly available at http://code.google.com/p/neptune-sph/.

Parallel fast multipole boundary element method applied to computational homogenization

NASA Astrophysics Data System (ADS)

Ptaszny, Jacek

2018-01-01

In the present work, a fast multipole boundary element method (FMBEM) and a parallel computer code for 3D elasticity problem is developed and applied to the computational homogenization of a solid containing spherical voids. The system of equation is solved by using the GMRES iterative solver. The boundary of the body is dicretized by using the quadrilateral serendipity elements with an adaptive numerical integration. Operations related to a single GMRES iteration, performed by traversing the corresponding tree structure upwards and downwards, are parallelized by using the OpenMP standard. The assignment of tasks to threads is based on the assumption that the tree nodes at which the moment transformations are initialized can be partitioned into disjoint sets of equal or approximately equal size and assigned to the threads. The achieved speedup as a function of number of threads is examined.

pFUnit 3.0 Tutorial Advanced

NASA Technical Reports Server (NTRS)

Clune, Tom

2014-01-01

This tutorial will introduce Fortran developers to unit-testing and test-driven development (TDD) using pFUnit. As with other unit-testing frameworks, pFUnit, simplifies the process of writing, collecting, and executing tests while providing clear diagnostic messages for failing tests. pFUnit specifically targets the development of scientific-technical software written in Fortran and includes customized features such as: assertions for multi-dimensional arrays, distributed (MPI) and thread-based (OpenMP) parallellism, and flexible parameterized tests.These sessions will include numerous examples and hands-on exercises that gradually build in complexity. Attendees are expected to have working knowledge of F90, but familiarity with object-oriented syntax in F2003 and MPI will be of benefit for the more advanced examples. By the end of the tutorial the audience should feel comfortable in applying pFUnit within their own development environment.

Development of an Implicit, Charge and Energy Conserving 2D Electromagnetic PIC Code on Advanced Architectures

NASA Astrophysics Data System (ADS)

Payne, Joshua; Taitano, William; Knoll, Dana; Liebs, Chris; Murthy, Karthik; Feltman, Nicolas; Wang, Yijie; McCarthy, Colleen; Cieren, Emanuel

2012-10-01

In order to solve problems such as the ion coalescence and slow MHD shocks fully kinetically we developed a fully implicit 2D energy and charge conserving electromagnetic PIC code, PlasmaApp2D. PlasmaApp2D differs from previous implicit PIC implementations in that it will utilize advanced architectures such as GPUs and shared memory CPU systems, with problems too large to fit into cache. PlasmaApp2D will be a hybrid CPU-GPU code developed primarily to run on the DARWIN cluster at LANL utilizing four 12-core AMD Opteron CPUs and two NVIDIA Tesla GPUs per node. MPI will be used for cross-node communication, OpenMP will be used for on-node parallelism, and CUDA will be used for the GPUs. Development progress and initial results will be presented.

Accelerating the Pace of Protein Functional Annotation With Intel Xeon Phi Coprocessors.

PubMed

Feinstein, Wei P; Moreno, Juana; Jarrell, Mark; Brylinski, Michal

2015-06-01

Intel Xeon Phi is a new addition to the family of powerful parallel accelerators. The range of its potential applications in computationally driven research is broad; however, at present, the repository of scientific codes is still relatively limited. In this study, we describe the development and benchmarking of a parallel version of eFindSite, a structural bioinformatics algorithm for the prediction of ligand-binding sites in proteins. Implemented for the Intel Xeon Phi platform, the parallelization of the structure alignment portion of eFindSite using pragma-based OpenMP brings about the desired performance improvements, which scale well with the number of computing cores. Compared to a serial version, the parallel code runs 11.8 and 10.1 times faster on the CPU and the coprocessor, respectively; when both resources are utilized simultaneously, the speedup is 17.6. For example, ligand-binding predictions for 501 benchmarking proteins are completed in 2.1 hours on a single Stampede node equipped with the Intel Xeon Phi card compared to 3.1 hours without the accelerator and 36.8 hours required by a serial version. In addition to the satisfactory parallel performance, porting existing scientific codes to the Intel Xeon Phi architecture is relatively straightforward with a short development time due to the support of common parallel programming models by the coprocessor. The parallel version of eFindSite is freely available to the academic community at www.brylinski.org/efindsite.

The Open Source Snowpack modelling ecosystem

NASA Astrophysics Data System (ADS)

Bavay, Mathias; Fierz, Charles; Egger, Thomas; Lehning, Michael

2016-04-01

As a large number of numerical snow models are available, a few stand out as quite mature and widespread. One such model is SNOWPACK, the Open Source model that is developed at the WSL Institute for Snow and Avalanche Research SLF. Over the years, various tools have been developed around SNOWPACK in order to expand its use or to integrate additional features. Today, the model is part of a whole ecosystem that has evolved to both offer seamless integration and high modularity so each tool can easily be used outside the ecosystem. Many of these Open Source tools experience their own, autonomous development and are successfully used in their own right in other models and applications. There is Alpine3D, the spatially distributed version of SNOWPACK, that forces it with terrain-corrected radiation fields and optionally with blowing and drifting snow. This model can be used on parallel systems (either with OpenMP or MPI) and has been used for applications ranging from climate change to reindeer herding. There is the MeteoIO pre-processing library that offers fully integrated data access, data filtering, data correction, data resampling and spatial interpolations. This library is now used by several other models and applications. There is the SnopViz snow profile visualization library and application that supports both measured and simulated snow profiles (relying on the CAAML standard) as well as time series. This JavaScript application can be used standalone without any internet connection or served on the web together with simulation results. There is the OSPER data platform effort with a data management service (build on the Global Sensor Network (GSN) platform) as well as a data documenting system (metadata management as a wiki). There are several distributed hydrological models for mountainous areas in ongoing development that require very little information about the soil structure based on the assumption that in step terrain, the most relevant information is contained in the Digital Elevation Model (DEM). There is finally a set of tools making up the operational chain to automatically run, monitor and publish SNOWPACK simulations for operational avalanche warning purposes. This tool chain has been developed with the aim of offering very low maintenance operation and very fast deployment and to easily adapt to other avalanche services.

Ice-sheet modelling accelerated by graphics cards

NASA Astrophysics Data System (ADS)

Brædstrup, Christian Fredborg; Damsgaard, Anders; Egholm, David Lundbek

2014-11-01

Studies of glaciers and ice sheets have increased the demand for high performance numerical ice flow models over the past decades. When exploring the highly non-linear dynamics of fast flowing glaciers and ice streams, or when coupling multiple flow processes for ice, water, and sediment, researchers are often forced to use super-computing clusters. As an alternative to conventional high-performance computing hardware, the Graphical Processing Unit (GPU) is capable of massively parallel computing while retaining a compact design and low cost. In this study, we present a strategy for accelerating a higher-order ice flow model using a GPU. By applying the newest GPU hardware, we achieve up to 180× speedup compared to a similar but serial CPU implementation. Our results suggest that GPU acceleration is a competitive option for ice-flow modelling when compared to CPU-optimised algorithms parallelised by the OpenMP or Message Passing Interface (MPI) protocols.

A fully non-linear multi-species Fokker–Planck–Landau collision operator for simulation of fusion plasma

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

Hager, Robert, E-mail: rhager@pppl.gov; Yoon, E.S., E-mail: yoone@rpi.edu; Ku, S., E-mail: sku@pppl.gov

2016-06-15

Fusion edge plasmas can be far from thermal equilibrium and require the use of a non-linear collision operator for accurate numerical simulations. In this article, the non-linear single-species Fokker–Planck–Landau collision operator developed by Yoon and Chang (2014) [9] is generalized to include multiple particle species. The finite volume discretization used in this work naturally yields exact conservation of mass, momentum, and energy. The implementation of this new non-linear Fokker–Planck–Landau operator in the gyrokinetic particle-in-cell codes XGC1 and XGCa is described and results of a verification study are discussed. Finally, the numerical techniques that make our non-linear collision operator viable onmore » high-performance computing systems are described, including specialized load balancing algorithms and nested OpenMP parallelization. The collision operator's good weak and strong scaling behavior are shown.« less

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

Shipman, Galen M.

These are the slides for a presentation on programming models in HPC, at the Los Alamos National Laboratory's Parallel Computing Summer School. The following topics are covered: Flynn's Taxonomy of computer architectures; single instruction single data; single instruction multiple data; multiple instruction multiple data; address space organization; definition of Trinity (Intel Xeon-Phi is a MIMD architecture); single program multiple data; multiple program multiple data; ExMatEx workflow overview; definition of a programming model, programming languages, runtime systems; programming model and environments; MPI (Message Passing Interface); OpenMP; Kokkos (Performance Portable Thread-Parallel Programming Model); Kokkos abstractions, patterns, policies, and spaces; RAJA, a systematicmore » approach to node-level portability and tuning; overview of the Legion Programming Model; mapping tasks and data to hardware resources; interoperability: supporting task-level models; Legion S3D execution and performance details; workflow, integration of external resources into the programming model.« less

Kernel optimization for short-range molecular dynamics

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

A fully non-linear multi-species Fokker–Planck–Landau collision operator for simulation of fusion plasma

DOE PAGES

Hager, Robert; Yoon, E. S.; Ku, S.; ...

2016-04-04

Fusion edge plasmas can be far from thermal equilibrium and require the use of a non-linear collision operator for accurate numerical simulations. The non-linear single-species Fokker–Planck–Landau collision operator developed by Yoon and Chang (2014) [9] is generalized to include multiple particle species. Moreover, the finite volume discretization used in this work naturally yields exact conservation of mass, momentum, and energy. The implementation of this new non-linear Fokker–Planck–Landau operator in the gyrokinetic particle-in-cell codes XGC1 and XGCa is described and results of a verification study are discussed. Finally, the numerical techniques that make our non-linear collision operator viable on high-performance computingmore » systems are described, including specialized load balancing algorithms and nested OpenMP parallelization. As a result, the collision operator's good weak and strong scaling behavior are shown.« less

GANDALF - Graphical Astrophysics code for N-body Dynamics And Lagrangian Fluids

NASA Astrophysics Data System (ADS)

Hubber, D. A.; Rosotti, G. P.; Booth, R. A.

2018-01-01

GANDALF is a new hydrodynamics and N-body dynamics code designed for investigating planet formation, star formation and star cluster problems. GANDALF is written in C++, parallelized with both OPENMP and MPI and contains a PYTHON library for analysis and visualization. The code has been written with a fully object-oriented approach to easily allow user-defined implementations of physics modules or other algorithms. The code currently contains implementations of smoothed particle hydrodynamics, meshless finite-volume and collisional N-body schemes, but can easily be adapted to include additional particle schemes. We present in this paper the details of its implementation, results from the test suite, serial and parallel performance results and discuss the planned future development. The code is freely available as an open source project on the code-hosting website github at https://github.com/gandalfcode/gandalf and is available under the GPLv2 license.

Parallel transformation of K-SVD solar image denoising algorithm

NASA Astrophysics Data System (ADS)

Liang, Youwen; Tian, Yu; Li, Mei

2017-02-01

The images obtained by observing the sun through a large telescope always suffered with noise due to the low SNR. K-SVD denoising algorithm can effectively remove Gauss white noise. Training dictionaries for sparse representations is a time consuming task, due to the large size of the data involved and to the complexity of the training algorithms. In this paper, an OpenMP parallel programming language is proposed to transform the serial algorithm to the parallel version. Data parallelism model is used to transform the algorithm. Not one atom but multiple atoms updated simultaneously is the biggest change. The denoising effect and acceleration performance are tested after completion of the parallel algorithm. Speedup of the program is 13.563 in condition of using 16 cores. This parallel version can fully utilize the multi-core CPU hardware resources, greatly reduce running time and easily to transplant in multi-core platform.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Fast data reconstructed method of Fourier transform imaging spectrometer based on multi-core CPU

NASA Astrophysics Data System (ADS)

Yu, Chunchao; Du, Debiao; Xia, Zongze; Song, Li; Zheng, Weijian; Yan, Min; Lei, Zhenggang

2017-10-01

Imaging spectrometer can gain two-dimensional space image and one-dimensional spectrum at the same time, which shows high utility in color and spectral measurements, the true color image synthesis, military reconnaissance and so on. In order to realize the fast reconstructed processing of the Fourier transform imaging spectrometer data, the paper designed the optimization reconstructed algorithm with OpenMP parallel calculating technology, which was further used for the optimization process for the HyperSpectral Imager of `HJ-1' Chinese satellite. The results show that the method based on multi-core parallel computing technology can control the multi-core CPU hardware resources competently and significantly enhance the calculation of the spectrum reconstruction processing efficiency. If the technology is applied to more cores workstation in parallel computing, it will be possible to complete Fourier transform imaging spectrometer real-time data processing with a single computer.

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

Langer, Steven H.; Karlin, Ian; Marinak, Marty M.

HYDRA is used to simulate a variety of experiments carried out at the National Ignition Facility (NIF) [4] and other high energy density physics facilities. HYDRA has packages to simulate radiation transfer, atomic physics, hydrodynamics, laser propagation, and a number of other physics effects. HYDRA has over one million lines of code and includes both MPI and thread-level (OpenMP and pthreads) parallelism. This paper measures the performance characteristics of HYDRA using hardware counters on an IBM BlueGene/Q system. We report key ratios such as bytes/instruction and memory bandwidth for several different physics packages. The total number of bytes read andmore » written per time step is also reported. We show that none of the packages which use significant time are memory bandwidth limited on a Blue Gene/Q. HYDRA currently issues very few SIMD instructions. The pressure on memory bandwidth will increase if high levels of SIMD instructions can be achieved.« less

Model-independent partial wave analysis using a massively-parallel fitting framework

NASA Astrophysics Data System (ADS)

Sun, L.; Aoude, R.; dos Reis, A. C.; Sokoloff, M.

2017-10-01

The functionality of GooFit, a GPU-friendly framework for doing maximum-likelihood fits, has been extended to extract model-independent {\\mathscr{S}}-wave amplitudes in three-body decays such as D + → h + h + h -. A full amplitude analysis is done where the magnitudes and phases of the {\\mathscr{S}}-wave amplitudes are anchored at a finite number of m 2(h + h -) control points, and a cubic spline is used to interpolate between these points. The amplitudes for {\\mathscr{P}}-wave and {\\mathscr{D}}-wave intermediate states are modeled as spin-dependent Breit-Wigner resonances. GooFit uses the Thrust library, with a CUDA backend for NVIDIA GPUs and an OpenMP backend for threads with conventional CPUs. Performance on a variety of platforms is compared. Executing on systems with GPUs is typically a few hundred times faster than executing the same algorithm on a single CPU.

GPU accelerated implementation of NCI calculations using promolecular density.

PubMed

Rubez, Gaëtan; Etancelin, Jean-Matthieu; Vigouroux, Xavier; Krajecki, Michael; Boisson, Jean-Charles; Hénon, Eric

2017-05-30

The NCI approach is a modern tool to reveal chemical noncovalent interactions. It is particularly attractive to describe ligand-protein binding. A custom implementation for NCI using promolecular density is presented. It is designed to leverage the computational power of NVIDIA graphics processing unit (GPU) accelerators through the CUDA programming model. The code performances of three versions are examined on a test set of 144 systems. NCI calculations are particularly well suited to the GPU architecture, which reduces drastically the computational time. On a single compute node, the dual-GPU version leads to a 39-fold improvement for the biggest instance compared to the optimal OpenMP parallel run (C code, icc compiler) with 16 CPU cores. Energy consumption measurements carried out on both CPU and GPU NCI tests show that the GPU approach provides substantial energy savings. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Gregarious Data Re-structuring in a Many Core Architecture

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

Shrestha, Sunil; Manzano Franco, Joseph B.; Marquez, Andres

this paper, we have developed a new methodology that takes in consideration the access patterns from a single parallel actor (e.g. a thread), as well as, the access patterns of “grouped” parallel actors that share a resource (e.g. a distributed Level 3 cache). We start with a hierarchical tile code for our target machine and apply a series of transformations at the tile level to improve data residence in a given memory hierarchy level. The contribution of this paper includes (a) collaborative data restructuring for group reuse and (b) low overhead transformation technique to improve access pattern and bring closelymore » connected data elements together. Preliminary results in a many core architecture, Tilera TileGX, shows promising improvements over optimized OpenMP code (up to 31% increase in GFLOPS) and over our own previous work on fine grained runtimes (up to 16%) for selected kernels« less

Proceeding On : Parallelisation Of Critical Code Passages In PHOENIX/3D

NASA Astrophysics Data System (ADS)

Arkenberg, Mario; Wichert, Viktoria; Hauschildt, Peter H.

2016-10-01

Highly resolved state-of-the-art 3D atmosphere simulations will remain computationally extremely expensive for years to come. In addition to the need for more computing power, rethinking coding practices is necessary. We take a dual approach here, by introducing especially adapted, parallel numerical methods and correspondingly parallelising time critical code passages. In the following, we present our work on PHOENIX/3D.While parallelisation is generally worthwhile, it requires revision of time-consuming subroutines with respect to separability of localised data and variables in order to determine the optimal approach. Of course, the same applies to the code structure. The importance of this ongoing work can be showcased by recently derived benchmark results, which were generated utilis- ing MPI and OpenMP. Furthermore, the need for a careful and thorough choice of an adequate, machine dependent setup is discussed.

Implementation of Parallel Dynamic Simulation on Shared-Memory vs. Distributed-Memory Environments

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

Jin, Shuangshuang; Chen, Yousu; Wu, Di

2015-12-09

Power system dynamic simulation computes the system response to a sequence of large disturbance, such as sudden changes in generation or load, or a network short circuit followed by protective branch switching operation. It consists of a large set of differential and algebraic equations, which is computational intensive and challenging to solve using single-processor based dynamic simulation solution. High-performance computing (HPC) based parallel computing is a very promising technology to speed up the computation and facilitate the simulation process. This paper presents two different parallel implementations of power grid dynamic simulation using Open Multi-processing (OpenMP) on shared-memory platform, and Messagemore » Passing Interface (MPI) on distributed-memory clusters, respectively. The difference of the parallel simulation algorithms and architectures of the two HPC technologies are illustrated, and their performances for running parallel dynamic simulation are compared and demonstrated.« less

SU-F-BRD-02: Application of ARCHERRT-- A GPU-Based Monte Carlo Dose Engine for Radiation Therapy -- to Tomotherapy and Patient-Independent IMRT

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

Su, L; Du, X; Liu, T

Purpose: As a module of ARCHER -- Accelerated Radiation-transport Computations in Heterogeneous EnviRonments, ARCHER{sub RT} is designed for RadioTherapy (RT) dose calculation. This paper describes the application of ARCHERRT on patient-dependent TomoTherapy and patient-independent IMRT. It also conducts a 'fair' comparison of different GPUs and multicore CPU. Methods: The source input used for patient-dependent TomoTherapy is phase space file (PSF) generated from optimized plan. For patient-independent IMRT, the open filed PSF is used for different cases. The intensity modulation is simulated by fluence map. The GEANT4 code is used as benchmark. DVH and gamma index test are employed to evaluatemore » the accuracy of ARCHER{sub RT} code. Some previous studies reported misleading speedups by comparing GPU code with serial CPU code. To perform a fairer comparison, we write multi-thread code with OpenMP to fully exploit computing potential of CPU. The hardware involved in this study are a 6-core Intel E5-2620 CPU and 6 NVIDIA M2090 GPUs, a K20 GPU and a K40 GPU. Results: Dosimetric results from ARCHER{sub RT} and GEANT4 show good agreement. The 2%/2mm gamma test pass rates for different clinical cases are 97.2% to 99.7%. A single M2090 GPU needs 50~79 seconds for the simulation to achieve a statistical error of 1% in the PTV. The K40 card is about 1.7∼1.8 times faster than M2090 card. Using 6 M2090 card, the simulation can be finished in about 10 seconds. For comparison, Intel E5-2620 needs 507∼879 seconds for the same simulation. Conclusion: We successfully applied ARCHER{sub RT} to Tomotherapy and patient-independent IMRT, and conducted a fair comparison between GPU and CPU performance. The ARCHER{sub RT} code is both accurate and efficient and may be used towards clinical applications.« less

Optimized multiple quantum MAS lineshape simulations in solid state NMR

NASA Astrophysics Data System (ADS)

Brouwer, William J.; Davis, Michael C.; Mueller, Karl T.

2009-10-01

The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have half-integer spin I>1/2, with corresponding electric quadrupole moment. As such, they may couple with a surrounding electric field gradient. This effect introduces anisotropic line broadening to spectra, arising from distinct chemical species within polycrystalline solids. In Multiple Quantum Magic Angle Spinning (MQMAS) experiments, a second frequency dimension is created, devoid of quadrupolar anisotropy. As a result, the center of gravity of peaks in the high resolution dimension is a function of isotropic second order quadrupole and chemical shift alone. However, for complex materials, these parameters take on a stochastic nature due in turn to structural and chemical disorder. Lineshapes may still overlap in the isotropic dimension, complicating the task of assignment and interpretation. A distributed computational approach is presented here which permits simulation of the two-dimensional MQMAS spectrum, generated by random variates from model distributions of isotropic chemical and quadrupole shifts. Owing to the non-convex nature of the residual sum of squares (RSS) function between experimental and simulated spectra, simulated annealing is used to optimize the simulation parameters. In this manner, local chemical environments for disordered materials may be characterized, and via a re-sampling approach, error estimates for parameters produced. Program summaryProgram title: mqmasOPT Catalogue identifier: AEEC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3650 No. of bytes in distributed program, including test data, etc.: 73 853 Distribution format: tar.gz Programming language: C, OCTAVE Computer: UNIX/Linux Operating system: UNIX/Linux Has the code been vectorised or parallelized?: Yes RAM: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 3.5M, SMP AMD opteron Classification: 2.3 External routines: OCTAVE ( http://www.gnu.org/software/octave/), GNU Scientific Library ( http://www.gnu.org/software/gsl/), OPENMP ( http://openmp.org/wp/) Nature of problem: The optimal simulation and modeling of multiple quantum magic angle spinning NMR spectra, for general systems, especially those with mild to significant disorder. The approach outlined and implemented in C and OCTAVE also produces model parameter error estimates. Solution method: A model for each distinct chemical site is first proposed, for the individual contribution of crystallite orientations to the spectrum. This model is averaged over all powder angles [1], as well as the (stochastic) parameters; isotropic chemical shift and quadrupole coupling constant. The latter is accomplished via sampling from a bi-variate Gaussian distribution, using the Box-Muller algorithm to transform Sobol (quasi) random numbers [2]. A simulated annealing optimization is performed, and finally the non-linear jackknife [3] is applied in developing model parameter error estimates. Additional comments: The distribution contains a script, mqmasOpt.m, which runs in the OCTAVE language workspace. Running time: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 58.35 seconds, SMP AMD opteron. References:S.K. Zaremba, Annali di Matematica Pura ed Applicata 73 (1966) 293. H. Niederreiter, Random Number Generation and Quasi-Monte Carlo Methods, SIAM, 1992. T. Fox, D. Hinkley, K. Larntz, Technometrics 22 (1980) 29.

Evaluation of the Intel Xeon Phi Co-processor to accelerate the sensitivity map calculation for PET imaging

NASA Astrophysics Data System (ADS)

Dey, T.; Rodrigue, P.

2015-07-01

We aim to evaluate the Intel Xeon Phi coprocessor for acceleration of 3D Positron Emission Tomography (PET) image reconstruction. We focus on the sensitivity map calculation as one computational intensive part of PET image reconstruction, since it is a promising candidate for acceleration with the Many Integrated Core (MIC) architecture of the Xeon Phi. The computation of the voxels in the field of view (FoV) can be done in parallel and the 103 to 104 samples needed to calculate the detection probability of each voxel can take advantage of vectorization. We use the ray tracing kernels of the Embree project to calculate the hit points of the sample rays with the detector and in a second step the sum of the radiological path taking into account attenuation is determined. The core components are implemented using the Intel single instruction multiple data compiler (ISPC) to enable a portable implementation showing efficient vectorization either on the Xeon Phi and the Host platform. On the Xeon Phi, the calculation of the radiological path is also implemented in hardware specific intrinsic instructions (so-called `intrinsics') to allow manually-optimized vectorization. For parallelization either OpenMP and ISPC tasking (based on pthreads) are evaluated.Our implementation achieved a scalability factor of 0.90 on the Xeon Phi coprocessor (model 5110P) with 60 cores at 1 GHz. Only minor differences were found between parallelization with OpenMP and the ISPC tasking feature. The implementation using intrinsics was found to be about 12% faster than the portable ISPC version. With this version, a speedup of 1.43 was achieved on the Xeon Phi coprocessor compared to the host system (HP SL250s Gen8) equipped with two Xeon (E5-2670) CPUs, with 8 cores at 2.6 to 3.3 GHz each. Using a second Xeon Phi card the speedup could be further increased to 2.77. No significant differences were found between the results of the different Xeon Phi and the Host implementations. The examination showed that a reasonable speedup of sensitivity map calculation could be achieved on the Xeon Phi either by a portable or a hardware specific implementation.

GNAQPMS v1.1: accelerating the Global Nested Air Quality Prediction Modeling System (GNAQPMS) on Intel Xeon Phi processors

NASA Astrophysics Data System (ADS)

Wang, Hui; Chen, Huansheng; Wu, Qizhong; Lin, Junmin; Chen, Xueshun; Xie, Xinwei; Wang, Rongrong; Tang, Xiao; Wang, Zifa

2017-08-01

The Global Nested Air Quality Prediction Modeling System (GNAQPMS) is the global version of the Nested Air Quality Prediction Modeling System (NAQPMS), which is a multi-scale chemical transport model used for air quality forecast and atmospheric environmental research. In this study, we present the porting and optimisation of GNAQPMS on a second-generation Intel Xeon Phi processor, codenamed Knights Landing (KNL). Compared with the first-generation Xeon Phi coprocessor (codenamed Knights Corner, KNC), KNL has many new hardware features such as a bootable processor, high-performance in-package memory and ISA compatibility with Intel Xeon processors. In particular, we describe the five optimisations we applied to the key modules of GNAQPMS, including the CBM-Z gas-phase chemistry, advection, convection and wet deposition modules. These optimisations work well on both the KNL 7250 processor and the Intel Xeon E5-2697 V4 processor. They include (1) updating the pure Message Passing Interface (MPI) parallel mode to the hybrid parallel mode with MPI and OpenMP in the emission, advection, convection and gas-phase chemistry modules; (2) fully employing the 512 bit wide vector processing units (VPUs) on the KNL platform; (3) reducing unnecessary memory access to improve cache efficiency; (4) reducing the thread local storage (TLS) in the CBM-Z gas-phase chemistry module to improve its OpenMP performance; and (5) changing the global communication from writing/reading interface files to MPI functions to improve the performance and the parallel scalability. These optimisations greatly improved the GNAQPMS performance. The same optimisations also work well for the Intel Xeon Broadwell processor, specifically E5-2697 v4. Compared with the baseline version of GNAQPMS, the optimised version was 3.51 × faster on KNL and 2.77 × faster on the CPU. Moreover, the optimised version ran at 26 % lower average power on KNL than on the CPU. With the combined performance and energy improvement, the KNL platform was 37.5 % more efficient on power consumption compared with the CPU platform. The optimisations also enabled much further parallel scalability on both the CPU cluster and the KNL cluster scaled to 40 CPU nodes and 30 KNL nodes, with a parallel efficiency of 70.4 and 42.2 %, respectively.

OpenSWPC: an open-source integrated parallel simulation code for modeling seismic wave propagation in 3D heterogeneous viscoelastic media

NASA Astrophysics Data System (ADS)

Maeda, Takuto; Takemura, Shunsuke; Furumura, Takashi

2017-07-01

We have developed an open-source software package, Open-source Seismic Wave Propagation Code (OpenSWPC), for parallel numerical simulations of seismic wave propagation in 3D and 2D (P-SV and SH) viscoelastic media based on the finite difference method in local-to-regional scales. This code is equipped with a frequency-independent attenuation model based on the generalized Zener body and an efficient perfectly matched layer for absorbing boundary condition. A hybrid-style programming using OpenMP and the Message Passing Interface (MPI) is adopted for efficient parallel computation. OpenSWPC has wide applicability for seismological studies and great portability to allowing excellent performance from PC clusters to supercomputers. Without modifying the code, users can conduct seismic wave propagation simulations using their own velocity structure models and the necessary source representations by specifying them in an input parameter file. The code has various modes for different types of velocity structure model input and different source representations such as single force, moment tensor and plane-wave incidence, which can easily be selected via the input parameters. Widely used binary data formats, the Network Common Data Form (NetCDF) and the Seismic Analysis Code (SAC) are adopted for the input of the heterogeneous structure model and the outputs of the simulation results, so users can easily handle the input/output datasets. All codes are written in Fortran 2003 and are available with detailed documents in a public repository.[Figure not available: see fulltext.

ATDM LANL FleCSI: Topology and Execution Framework

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

Bergen, Benjamin Karl

FleCSI is a compile-time configurable C++ framework designed to support multi-physics application development. As such, FleCSI attempts to provide a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. This means that FleCSI is potentially useful to many different ECP projects. Current support includes multidimensional mesh topology, mesh geometry, and mesh adjacency information, n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures (to identify data dependencies between distributed-memory address spaces). FleCSI introduces a functional programming model with control, execution, and data abstractionsmore » that are consistent with state-of-the-art task-based runtimes such as Legion and Charm++. The model also provides support for fine-grained, data-parallel execution with backend support for runtimes such as OpenMP and C++17. The FleCSI abstraction layer provides the developer with insulation from the underlying runtimes, while allowing support for multiple runtime systems, including conventional models like asynchronous MPI. The intent is to give developers a concrete set of user-friendly programming tools that can be used now, while allowing flexibility in choosing runtime implementations and optimizations that can be applied to architectures and runtimes that arise in the future. This project is essential to the ECP Ristra Next-Generation Code project, part of ASC ATDM, because it provides a hierarchically parallel programming model that is consistent with the design of modern system architectures, but which allows for the straightforward expression of algorithmic parallelism in a portably performant manner.« less

GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.

PubMed

Jung, Jaewoon; Mori, Takaharu; Kobayashi, Chigusa; Matsunaga, Yasuhiro; Yoda, Takao; Feig, Michael; Sugita, Yuji

2015-07-01

GENESIS (Generalized-Ensemble Simulation System) is a new software package for molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called ATDYN and SPDYN. ATDYN is parallelized based on an atomic decomposition algorithm for the simulations of all-atom force-field models as well as coarse-grained Go-like models. SPDYN is highly parallelized based on a domain decomposition scheme, allowing large-scale MD simulations on supercomputers. Hybrid schemes combining OpenMP and MPI are used in both simulators to target modern multicore computer architectures. Key advantages of GENESIS are (1) the highly parallel performance of SPDYN for very large biological systems consisting of more than one million atoms and (2) the availability of various REMD algorithms (T-REMD, REUS, multi-dimensional REMD for both all-atom and Go-like models under the NVT, NPT, NPAT, and NPγT ensembles). The former is achieved by a combination of the midpoint cell method and the efficient three-dimensional Fast Fourier Transform algorithm, where the domain decomposition space is shared in real-space and reciprocal-space calculations. Other features in SPDYN, such as avoiding concurrent memory access, reducing communication times, and usage of parallel input/output files, also contribute to the performance. We show the REMD simulation results of a mixed (POPC/DMPC) lipid bilayer as a real application using GENESIS. GENESIS is released as free software under the GPLv2 licence and can be easily modified for the development of new algorithms and molecular models. WIREs Comput Mol Sci 2015, 5:310-323. doi: 10.1002/wcms.1220.

batman: BAsic Transit Model cAlculatioN in Python

NASA Astrophysics Data System (ADS)

Kreidberg, Laura

2015-11-01

I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman .

High-Productivity Computing in Computational Physics Education

NASA Astrophysics Data System (ADS)

Tel-Zur, Guy

2011-03-01

We describe the development of a new course in Computational Physics at the Ben-Gurion University. This elective course for 3rd year undergraduates and MSc. students is being taught during one semester. Computational Physics is by now well accepted as the Third Pillar of Science. This paper's claim is that modern Computational Physics education should deal also with High-Productivity Computing. The traditional approach of teaching Computational Physics emphasizes ``Correctness'' and then ``Accuracy'' and we add also ``Performance.'' Along with topics in Mathematical Methods and case studies in Physics the course deals a significant amount of time with ``Mini-Courses'' in topics such as: High-Throughput Computing - Condor, Parallel Programming - MPI and OpenMP, How to build a Beowulf, Visualization and Grid and Cloud Computing. The course does not intend to teach neither new physics nor new mathematics but it is focused on an integrated approach for solving problems starting from the physics problem, the corresponding mathematical solution, the numerical scheme, writing an efficient computer code and finally analysis and visualization.

spMC: an R-package for 3D lithological reconstructions based on spatial Markov chains

NASA Astrophysics Data System (ADS)

Sartore, Luca; Fabbri, Paolo; Gaetan, Carlo

2016-09-01

The paper presents the spatial Markov Chains (spMC) R-package and a case study of subsoil simulation/prediction located in a plain site of Northeastern Italy. spMC is a quite complete collection of advanced methods for data inspection, besides spMC implements Markov Chain models to estimate experimental transition probabilities of categorical lithological data. Furthermore, simulation methods based on most known prediction methods (as indicator Kriging and CoKriging) were implemented in spMC package. Moreover, other more advanced methods are available for simulations, e.g. path methods and Bayesian procedures, that exploit the maximum entropy. Since the spMC package was developed for intensive geostatistical computations, part of the code is implemented for parallel computations via the OpenMP constructs. A final analysis of this computational efficiency compares the simulation/prediction algorithms by using different numbers of CPU cores, and considering the example data set of the case study included in the package.

Pythran: enabling static optimization of scientific Python programs

NASA Astrophysics Data System (ADS)

Guelton, Serge; Brunet, Pierrick; Amini, Mehdi; Merlini, Adrien; Corbillon, Xavier; Raynaud, Alan

2015-01-01

Pythran is an open source static compiler that turns modules written in a subset of Python language into native ones. Assuming that scientific modules do not rely much on the dynamic features of the language, it trades them for powerful, possibly inter-procedural, optimizations. These optimizations include detection of pure functions, temporary allocation removal, constant folding, Numpy ufunc fusion and parallelization, explicit thread-level parallelism through OpenMP annotations, false variable polymorphism pruning, and automatic vector instruction generation such as AVX or SSE. In addition to these compilation steps, Pythran provides a C++ runtime library that leverages the C++ STL to provide generic containers, and the Numeric Template Toolbox for Numpy support. It takes advantage of modern C++11 features such as variadic templates, type inference, move semantics and perfect forwarding, as well as classical idioms such as expression templates. Unlike the Cython approach, Pythran input code remains compatible with the Python interpreter. Output code is generally as efficient as the annotated Cython equivalent, if not more, but without the backward compatibility loss.

A Parallel 2D Numerical Simulation of Tumor Cells Necrosis by Local Hyperthermia

NASA Astrophysics Data System (ADS)

Reis, R. F.; Loureiro, F. S.; Lobosco, M.

2014-03-01

Hyperthermia has been widely used in cancer treatment to destroy tumors. The main idea of the hyperthermia is to heat a specific region like a tumor so that above a threshold temperature the tumor cells are destroyed. This can be accomplished by many heat supply techniques and the use of magnetic nanoparticles that generate heat when an alternating magnetic field is applied has emerged as a promise technique. In the present paper, the Pennes bioheat transfer equation is adopted to model the thermal tumor ablation in the context of magnetic nanoparticles. Numerical simulations are carried out considering different injection sites for the nanoparticles in an attempt to achieve better hyperthermia conditions. Explicit finite difference method is employed to solve the equations. However, a large amount of computation is required for this purpose. Therefore, this work also presents an initial attempt to improve performance using OpenMP, a parallel programming API. Experimental results were quite encouraging: speedups around 35 were obtained on a 64-core machine.

Parallel k-means++

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

A parallelization of the k-means++ seed selection algorithm on three distinct hardware platforms: GPU, multicore CPU, and multithreaded architecture. K-means++ was developed by David Arthur and Sergei Vassilvitskii in 2007 as an extension of the k-means data clustering technique. These algorithms allow people to cluster multidimensional data, by attempting to minimize the mean distance of data points within a cluster. K-means++ improved upon traditional k-means by using a more intelligent approach to selecting the initial seeds for the clustering process. While k-means++ has become a popular alternative to traditional k-means clustering, little work has been done to parallelize this technique.more » We have developed original C++ code for parallelizing the algorithm on three unique hardware architectures: GPU using NVidia's CUDA/Thrust framework, multicore CPU using OpenMP, and the Cray XMT multithreaded architecture. By parallelizing the process for these platforms, we are able to perform k-means++ clustering much more quickly than it could be done before.« less

ARES v2: new features and improved performance

NASA Astrophysics Data System (ADS)

Sousa, S. G.; Santos, N. C.; Adibekyan, V.; Delgado-Mena, E.; Israelian, G.

2015-05-01

Aims: We present a new upgraded version of ARES. The new version includes a series of interesting new features such as automatic radial velocity correction, a fully automatic continuum determination, and an estimation of the errors for the equivalent widths. Methods: The automatic correction of the radial velocity is achieved with a simple cross-correlation function, and the automatic continuum determination, as well as the estimation of the errors, relies on a new approach to evaluating the spectral noise at the continuum level. Results: ARES v2 is totally compatible with its predecessor. We show that the fully automatic continuum determination is consistent with the previous methods applied for this task. It also presents a significant improvement on its performance thanks to the implementation of a parallel computation using the OpenMP library. Automatic Routine for line Equivalent widths in stellar Spectra - ARES webpage: http://www.astro.up.pt/~sousasag/ares/Based on observations made with ESO Telescopes at the La Silla Paranal Observatory under programme ID 075.D-0800(A).

GPU accelerated particle visualization with Splotch

NASA Astrophysics Data System (ADS)

Rivi, M.; Gheller, C.; Dykes, T.; Krokos, M.; Dolag, K.

2014-07-01

Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and support for very large-scale datasets through an effective mix of the OpenMP and MPI parallel programming paradigms. This article reports our experiences in re-designing Splotch for exploiting emerging HPC architectures nowadays increasingly populated with GPUs. A performance model is introduced to guide our re-factoring of Splotch. A number of parallelization issues are discussed, in particular relating to race conditions and workload balancing, towards achieving optimal performances. Our implementation was accomplished by using the CUDA programming paradigm. Our strategy is founded on novel schemes achieving optimized data organization and classification of particles. We deploy a reference cosmological simulation to present performance results on acceleration gains and scalability. We finally outline our vision for future work developments including possibilities for further optimizations and exploitation of hybrid systems and emerging accelerators.

Performance analysis of the FDTD method applied to holographic volume gratings: Multi-core CPU versus GPU computing

NASA Astrophysics Data System (ADS)

Francés, J.; Bleda, S.; Neipp, C.; Márquez, A.; Pascual, I.; Beléndez, A.

2013-03-01

The finite-difference time-domain method (FDTD) allows electromagnetic field distribution analysis as a function of time and space. The method is applied to analyze holographic volume gratings (HVGs) for the near-field distribution at optical wavelengths. Usually, this application requires the simulation of wide areas, which implies more memory and time processing. In this work, we propose a specific implementation of the FDTD method including several add-ons for a precise simulation of optical diffractive elements. Values in the near-field region are computed considering the illumination of the grating by means of a plane wave for different angles of incidence and including absorbing boundaries as well. We compare the results obtained by FDTD with those obtained using a matrix method (MM) applied to diffraction gratings. In addition, we have developed two optimized versions of the algorithm, for both CPU and GPU, in order to analyze the improvement of using the new NVIDIA Fermi GPU architecture versus highly tuned multi-core CPU as a function of the size simulation. In particular, the optimized CPU implementation takes advantage of the arithmetic and data transfer streaming SIMD (single instruction multiple data) extensions (SSE) included explicitly in the code and also of multi-threading by means of OpenMP directives. A good agreement between the results obtained using both FDTD and MM methods is obtained, thus validating our methodology. Moreover, the performance of the GPU is compared to the SSE+OpenMP CPU implementation, and it is quantitatively determined that a highly optimized CPU program can be competitive for a wider range of simulation sizes, whereas GPU computing becomes more powerful for large-scale simulations.

Facilitating arrhythmia simulation: the method of quantitative cellular automata modeling and parallel running

PubMed Central

Zhu, Hao; Sun, Yan; Rajagopal, Gunaretnam; Mondry, Adrian; Dhar, Pawan

2004-01-01

Background Many arrhythmias are triggered by abnormal electrical activity at the ionic channel and cell level, and then evolve spatio-temporally within the heart. To understand arrhythmias better and to diagnose them more precisely by their ECG waveforms, a whole-heart model is required to explore the association between the massively parallel activities at the channel/cell level and the integrative electrophysiological phenomena at organ level. Methods We have developed a method to build large-scale electrophysiological models by using extended cellular automata, and to run such models on a cluster of shared memory machines. We describe here the method, including the extension of a language-based cellular automaton to implement quantitative computing, the building of a whole-heart model with Visible Human Project data, the parallelization of the model on a cluster of shared memory computers with OpenMP and MPI hybrid programming, and a simulation algorithm that links cellular activity with the ECG. Results We demonstrate that electrical activities at channel, cell, and organ levels can be traced and captured conveniently in our extended cellular automaton system. Examples of some ECG waveforms simulated with a 2-D slice are given to support the ECG simulation algorithm. A performance evaluation of the 3-D model on a four-node cluster is also given. Conclusions Quantitative multicellular modeling with extended cellular automata is a highly efficient and widely applicable method to weave experimental data at different levels into computational models. This process can be used to investigate complex and collective biological activities that can be described neither by their governing differentiation equations nor by discrete parallel computation. Transparent cluster computing is a convenient and effective method to make time-consuming simulation feasible. Arrhythmias, as a typical case, can be effectively simulated with the methods described. PMID:15339335

Revised Extended Grid Library

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

Martz, Roger L.

The Revised Eolus Grid Library (REGL) is a mesh-tracking library that was developed for use with the MCNP6TM computer code so that (radiation) particles can track on an unstructured mesh. The unstructured mesh is a finite element representation of any geometric solid model created with a state-of-the-art CAE/CAD tool. The mesh-tracking library is written using modern Fortran and programming standards; the library is Fortran 2003 compliant. The library was created with a defined application programmer interface (API) so that it could easily integrate with other particle tracking/transport codes. The library does not handle parallel processing via the message passing interfacemore » (mpi), but has been used successfully where the host code handles the mpi calls. The library is thread-safe and supports the OpenMP paradigm. As a library, all features are available through the API and overall a tight coupling between it and the host code is required. Features of the library are summarized with the following list: Can accommodate first and second order 4, 5, and 6-sided polyhedra; any combination of element types may appear in a single geometry model; parts may not contain tetrahedra mixed with other element types; pentahedra and hexahedra can be together in the same part; robust handling of overlaps and gaps; tracks element-to-element to produce path length results at the element level; finds element numbers for a given mesh location; finds intersection points on element faces for the particle tracks; produce a data file for post processing results analysis; reads Abaqus .inp input (ASCII) files to obtain information for the global mesh-model; supports parallel input processing via mpi; and support parallel particle transport by both mpi and OpenMP.« less

GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations

PubMed Central

Jung, Jaewoon; Mori, Takaharu; Kobayashi, Chigusa; Matsunaga, Yasuhiro; Yoda, Takao; Feig, Michael; Sugita, Yuji

2015-01-01

GENESIS (Generalized-Ensemble Simulation System) is a new software package for molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called ATDYN and SPDYN. ATDYN is parallelized based on an atomic decomposition algorithm for the simulations of all-atom force-field models as well as coarse-grained Go-like models. SPDYN is highly parallelized based on a domain decomposition scheme, allowing large-scale MD simulations on supercomputers. Hybrid schemes combining OpenMP and MPI are used in both simulators to target modern multicore computer architectures. Key advantages of GENESIS are (1) the highly parallel performance of SPDYN for very large biological systems consisting of more than one million atoms and (2) the availability of various REMD algorithms (T-REMD, REUS, multi-dimensional REMD for both all-atom and Go-like models under the NVT, NPT, NPAT, and NPγT ensembles). The former is achieved by a combination of the midpoint cell method and the efficient three-dimensional Fast Fourier Transform algorithm, where the domain decomposition space is shared in real-space and reciprocal-space calculations. Other features in SPDYN, such as avoiding concurrent memory access, reducing communication times, and usage of parallel input/output files, also contribute to the performance. We show the REMD simulation results of a mixed (POPC/DMPC) lipid bilayer as a real application using GENESIS. GENESIS is released as free software under the GPLv2 licence and can be easily modified for the development of new algorithms and molecular models. WIREs Comput Mol Sci 2015, 5:310–323. doi: 10.1002/wcms.1220 PMID:26753008

mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP

NASA Astrophysics Data System (ADS)

Oh, Kwang Jin; Kang, Ji Hoon; Myung, Hun Joo

2012-02-01

We have revised a general purpose parallel molecular dynamics simulation program mm_par using the object-oriented programming. We parallelized the revised version using a hierarchical scheme in order to utilize more processors for a given system size. The benchmark result will be presented here. New version program summaryProgram title: mm_par2.0 Catalogue identifier: ADXP_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXP_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2 390 858 No. of bytes in distributed program, including test data, etc.: 25 068 310 Distribution format: tar.gz Programming language: C++ Computer: Any system operated by Linux or Unix Operating system: Linux Classification: 7.7 External routines: We provide wrappers for FFTW [1], Intel MKL library [2] FFT routine, and Numerical recipes [3] FFT, random number generator, and eigenvalue solver routines, SPRNG [4] random number generator, Mersenne Twister [5] random number generator, space filling curve routine. Catalogue identifier of previous version: ADXP_v1_0 Journal reference of previous version: Comput. Phys. Comm. 174 (2006) 560 Does the new version supersede the previous version?: Yes Nature of problem: Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales. Solution method: Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation. Reasons for new version: First, object-oriented programming has been used, which is known to be open for extension and closed for modification. It is also known to be better for maintenance. Second, version 1.0 was based on atom decomposition and domain decomposition scheme [6] for parallelization. However, atom decomposition is not popular due to its poor scalability. On the other hand, domain decomposition scheme is better for scalability. It still has a limitation in utilizing a large number of cores on recent petascale computers due to the requirement that the domain size is larger than the potential cutoff distance. To go beyond such a limitation, a hierarchical parallelization scheme has been adopted in this new version and implemented using MPI [7] and OPENMP [8]. Summary of revisions: (1) Object-oriented programming has been used. (2) A hierarchical parallelization scheme has been adopted. (3) SPME routine has been fully parallelized with parallel 3D FFT using volumetric decomposition scheme [9]. K.J.O. thanks Mr. Seung Min Lee for useful discussion on programming and debugging. Running time: Running time depends on system size and methods used. For test system containing a protein (PDB id: 5DHFR) with CHARMM22 force field [10] and 7023 TIP3P [11] waters in simulation box having dimension 62.23 Å×62.23 Å×62.23 Å, the benchmark results are given in Fig. 1. Here the potential cutoff distance was set to 12 Å and the switching function was applied from 10 Å for the force calculation in real space. For the SPME [12] calculation, K, K, and K were set to 64 and the interpolation order was set to 4. To do the fast Fourier transform, we used Intel MKL library. All bonds including hydrogen atoms were constrained using SHAKE/RATTLE algorithms [13,14]. The code was compiled using Intel compiler version 11.1 and mvapich2 version 1.5. Fig. 2 shows performance gains from using CUDA-enabled version [15] of mm_par for 5DHFR simulation in water on Intel Core2Quad 2.83 GHz and GeForce GTX 580. Even though mm_par2.0 is not ported yet for GPU, its performance data would be useful to expect mm_par2.0 performance on GPU. Timing results for 1000 MD steps. 1, 2, 4, and 8 in the figure mean the number of OPENMP threads. Timing results for 1000 MD steps from double precision simulation on CPU, single precision simulation on GPU, and double precision simulation on GPU.

A High Order, Locally-Adaptive Method for the Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Chan, Daniel

1998-11-01

I have extended the FOSLS method of Cai, Manteuffel and McCormick (1997) and implemented it within the framework of a spectral element formulation using the Legendre polynomial basis function. The FOSLS method solves the Navier-Stokes equations as a system of coupled first-order equations and provides the ellipticity that is needed for fast iterative matrix solvers like multigrid to operate efficiently. Each element is treated as an object and its properties are self-contained. Only C^0 continuity is imposed across element interfaces; this design allows local grid refinement and coarsening without the burden of having an elaborate data structure, since only information along element boundaries is needed. With the FORTRAN 90 programming environment, I can maintain a high computational efficiency by employing a hybrid parallel processing model. The OpenMP directives provides parallelism in the loop level which is executed in a shared-memory SMP and the MPI protocol allows the distribution of elements to a cluster of SMP's connected via a commodity network. This talk will provide timing results and a comparison with a second order finite difference method.

OpenMP-accelerated SWAT simulation using Intel C and FORTRAN compilers: Development and benchmark

NASA Astrophysics Data System (ADS)

Ki, Seo Jin; Sugimura, Tak; Kim, Albert S.

2015-02-01

We developed a practical method to accelerate execution of Soil and Water Assessment Tool (SWAT) using open (free) computational resources. The SWAT source code (rev 622) was recompiled using a non-commercial Intel FORTRAN compiler in Ubuntu 12.04 LTS Linux platform, and newly named iOMP-SWAT in this study. GNU utilities of make, gprof, and diff were used to develop the iOMP-SWAT package, profile memory usage, and check identicalness of parallel and serial simulations. Among 302 SWAT subroutines, the slowest routines were identified using GNU gprof, and later modified using Open Multiple Processing (OpenMP) library in an 8-core shared memory system. In addition, a C wrapping function was used to rapidly set large arrays to zero by cross compiling with the original SWAT FORTRAN package. A universal speedup ratio of 2.3 was achieved using input data sets of a large number of hydrological response units. As we specifically focus on acceleration of a single SWAT run, the use of iOMP-SWAT for parameter calibrations will significantly improve the performance of SWAT optimization.

Performance Analysis of GFDL's GCM Line-By-Line Radiative Transfer Model on GPU and MIC Architectures

NASA Astrophysics Data System (ADS)

Menzel, R.; Paynter, D.; Jones, A. L.

2017-12-01

Due to their relatively low computational cost, radiative transfer models in global climate models (GCMs) run on traditional CPU architectures generally consist of shortwave and longwave parameterizations over a small number of wavelength bands. With the rise of newer GPU and MIC architectures, however, the performance of high resolution line-by-line radiative transfer models may soon approach those of the physical parameterizations currently employed in GCMs. Here we present an analysis of the current performance of a new line-by-line radiative transfer model currently under development at GFDL. Although originally designed to specifically exploit GPU architectures through the use of CUDA, the radiative transfer model has recently been extended to include OpenMP in an effort to also effectively target MIC architectures such as Intel's Xeon Phi. Using input data provided by the upcoming Radiative Forcing Model Intercomparison Project (RFMIP, as part of CMIP 6), we compare model results and performance data for various model configurations and spectral resolutions run on both GPU and Intel Knights Landing architectures to analogous runs of the standard Oxford Reference Forward Model on traditional CPUs.

Parallelization of elliptic solver for solving 1D Boussinesq model

NASA Astrophysics Data System (ADS)

Tarwidi, D.; Adytia, D.

2018-03-01

In this paper, a parallel implementation of an elliptic solver in solving 1D Boussinesq model is presented. Numerical solution of Boussinesq model is obtained by implementing a staggered grid scheme to continuity, momentum, and elliptic equation of Boussinesq model. Tridiagonal system emerging from numerical scheme of elliptic equation is solved by cyclic reduction algorithm. The parallel implementation of cyclic reduction is executed on multicore processors with shared memory architectures using OpenMP. To measure the performance of parallel program, large number of grids is varied from 28 to 214. Two test cases of numerical experiment, i.e. propagation of solitary and standing wave, are proposed to evaluate the parallel program. The numerical results are verified with analytical solution of solitary and standing wave. The best speedup of solitary and standing wave test cases is about 2.07 with 214 of grids and 1.86 with 213 of grids, respectively, which are executed by using 8 threads. Moreover, the best efficiency of parallel program is 76.2% and 73.5% for solitary and standing wave test cases, respectively.

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

Trędak, Przemysław, E-mail: przemyslaw.tredak@fuw.edu.pl; Rudnicki, Witold R.; Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, ul. Pawińskiego 5a, 02-106 Warsaw

The second generation Reactive Bond Order (REBO) empirical potential is commonly used to accurately model a wide range hydrocarbon materials. It is also extensible to other atom types and interactions. REBO potential assumes complex multi-body interaction model, that is difficult to represent efficiently in the SIMD or SIMT programming model. Hence, despite its importance, no efficient GPGPU implementation has been developed for this potential. Here we present a detailed description of a highly efficient GPGPU implementation of molecular dynamics algorithm using REBO potential. The presented algorithm takes advantage of rarely used properties of the SIMT architecture of a modern GPUmore » to solve difficult synchronizations issues that arise in computations of multi-body potential. Techniques developed for this problem may be also used to achieve efficient solutions of different problems. The performance of proposed algorithm is assessed using a range of model systems. It is compared to highly optimized CPU implementation (both single core and OpenMP) available in LAMMPS package. These experiments show up to 6x improvement in forces computation time using single processor of the NVIDIA Tesla K80 compared to high end 16-core Intel Xeon processor.« less

Multi-GPU parallel algorithm design and analysis for improved inversion of probability tomography with gravity gradiometry data

NASA Astrophysics Data System (ADS)

Hou, Zhenlong; Huang, Danian

2017-09-01

In this paper, we make a study on the inversion of probability tomography (IPT) with gravity gradiometry data at first. The space resolution of the results is improved by multi-tensor joint inversion, depth weighting matrix and the other methods. Aiming at solving the problems brought by the big data in the exploration, we present the parallel algorithm and the performance analysis combining Compute Unified Device Architecture (CUDA) with Open Multi-Processing (OpenMP) based on Graphics Processing Unit (GPU) accelerating. In the test of the synthetic model and real data from Vinton Dome, we get the improved results. It is also proved that the improved inversion algorithm is effective and feasible. The performance of parallel algorithm we designed is better than the other ones with CUDA. The maximum speedup could be more than 200. In the performance analysis, multi-GPU speedup and multi-GPU efficiency are applied to analyze the scalability of the multi-GPU programs. The designed parallel algorithm is demonstrated to be able to process larger scale of data and the new analysis method is practical.

Optimization of groundwater artificial recharge systems using a genetic algorithm: a case study in Beijing, China

NASA Astrophysics Data System (ADS)

Hao, Qichen; Shao, Jingli; Cui, Yali; Zhang, Qiulan; Huang, Linxian

2018-05-01

An optimization approach is used for the operation of groundwater artificial recharge systems in an alluvial fan in Beijing, China. The optimization model incorporates a transient groundwater flow model, which allows for simulation of the groundwater response to artificial recharge. The facilities' operation with regard to recharge rates is formulated as a nonlinear programming problem to maximize the volume of surface water recharged into the aquifers under specific constraints. This optimization problem is solved by the parallel genetic algorithm (PGA) based on OpenMP, which could substantially reduce the computation time. To solve the PGA with constraints, the multiplicative penalty method is applied. In addition, the facilities' locations are implicitly determined on the basis of the results of the recharge-rate optimizations. Two scenarios are optimized and the optimal results indicate that the amount of water recharged into the aquifers will increase without exceeding the upper limits of the groundwater levels. Optimal operation of this artificial recharge system can also contribute to the more effective recovery of the groundwater storage capacity.

Global magnetohydrodynamic simulations on multiple GPUs

NASA Astrophysics Data System (ADS)

Wong, Un-Hong; Wong, Hon-Cheng; Ma, Yonghui

2014-01-01

Global magnetohydrodynamic (MHD) models play the major role in investigating the solar wind-magnetosphere interaction. However, the huge computation requirement in global MHD simulations is also the main problem that needs to be solved. With the recent development of modern graphics processing units (GPUs) and the Compute Unified Device Architecture (CUDA), it is possible to perform global MHD simulations in a more efficient manner. In this paper, we present a global magnetohydrodynamic (MHD) simulator on multiple GPUs using CUDA 4.0 with GPUDirect 2.0. Our implementation is based on the modified leapfrog scheme, which is a combination of the leapfrog scheme and the two-step Lax-Wendroff scheme. GPUDirect 2.0 is used in our implementation to drive multiple GPUs. All data transferring and kernel processing are managed with CUDA 4.0 API instead of using MPI or OpenMP. Performance measurements are made on a multi-GPU system with eight NVIDIA Tesla M2050 (Fermi architecture) graphics cards. These measurements show that our multi-GPU implementation achieves a peak performance of 97.36 GFLOPS in double precision.

BLESS 2: accurate, memory-efficient and fast error correction method.

PubMed

Heo, Yun; Ramachandran, Anand; Hwu, Wen-Mei; Ma, Jian; Chen, Deming

2016-08-01

The most important features of error correction tools for sequencing data are accuracy, memory efficiency and fast runtime. The previous version of BLESS was highly memory-efficient and accurate, but it was too slow to handle reads from large genomes. We have developed a new version of BLESS to improve runtime and accuracy while maintaining a small memory usage. The new version, called BLESS 2, has an error correction algorithm that is more accurate than BLESS, and the algorithm has been parallelized using hybrid MPI and OpenMP programming. BLESS 2 was compared with five top-performing tools, and it was found to be the fastest when it was executed on two computing nodes using MPI, with each node containing twelve cores. Also, BLESS 2 showed at least 11% higher gain while retaining the memory efficiency of the previous version for large genomes. Freely available at https://sourceforge.net/projects/bless-ec dchen@illinois.edu Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Hybrid MPI/OpenMP Implementation of the ORAC Molecular Dynamics Program for Generalized Ensemble and Fast Switching Alchemical Simulations.

PubMed

Procacci, Piero

2016-06-27

We present a new release (6.0β) of the ORAC program [Marsili et al. J. Comput. Chem. 2010, 31, 1106-1116] with a hybrid OpenMP/MPI (open multiprocessing message passing interface) multilevel parallelism tailored for generalized ensemble (GE) and fast switching double annihilation (FS-DAM) nonequilibrium technology aimed at evaluating the binding free energy in drug-receptor system on high performance computing platforms. The production of the GE or FS-DAM trajectories is handled using a weak scaling parallel approach on the MPI level only, while a strong scaling force decomposition scheme is implemented for intranode computations with shared memory access at the OpenMP level. The efficiency, simplicity, and inherent parallel nature of the ORAC implementation of the FS-DAM algorithm, project the code as a possible effective tool for a second generation high throughput virtual screening in drug discovery and design. The code, along with documentation, testing, and ancillary tools, is distributed under the provisions of the General Public License and can be freely downloaded at www.chim.unifi.it/orac .

End-to-end performance measurement of Internet based medical applications.

PubMed

Dev, P; Harris, D; Gutierrez, D; Shah, A; Senger, S

2002-01-01

We present a method to obtain an end-to-end characterization of the performance of an application over a network. This method is not dependent on any specific application or type of network. The method requires characterization of network parameters, such as latency and packet loss, between the expected server or client endpoints, as well as characterization of the application's constraints on these parameters. A subjective metric is presented that integrates these characterizations and that operates over a wide range of applications and networks. We believe that this method may be of wide applicability as research and educational applications increasingly make use of computation and data servers that are distributed over the Internet.

Using the Eclipse Parallel Tools Platform to Assist Earth Science Model Development and Optimization on High Performance Computers

NASA Astrophysics Data System (ADS)

Alameda, J. C.

2011-12-01

Development and optimization of computational science models, particularly on high performance computers, and with the advent of ubiquitous multicore processor systems, practically on every system, has been accomplished with basic software tools, typically, command-line based compilers, debuggers, performance tools that have not changed substantially from the days of serial and early vector computers. However, model complexity, including the complexity added by modern message passing libraries such as MPI, and the need for hybrid code models (such as openMP and MPI) to be able to take full advantage of high performance computers with an increasing core count per shared memory node, has made development and optimization of such codes an increasingly arduous task. Additional architectural developments, such as many-core processors, only complicate the situation further. In this paper, we describe how our NSF-funded project, "SI2-SSI: A Productive and Accessible Development Workbench for HPC Applications Using the Eclipse Parallel Tools Platform" (WHPC) seeks to improve the Eclipse Parallel Tools Platform, an environment designed to support scientific code development targeted at a diverse set of high performance computing systems. Our WHPC project to improve Eclipse PTP takes an application-centric view to improve PTP. We are using a set of scientific applications, each with a variety of challenges, and using PTP to drive further improvements to both the scientific application, as well as to understand shortcomings in Eclipse PTP from an application developer perspective, to drive our list of improvements we seek to make. We are also partnering with performance tool providers, to drive higher quality performance tool integration. We have partnered with the Cactus group at Louisiana State University to improve Eclipse's ability to work with computational frameworks and extremely complex build systems, as well as to develop educational materials to incorporate into computational science and engineering codes. Finally, we are partnering with the lead PTP developers at IBM, to ensure we are as effective as possible within the Eclipse community development. We are also conducting training and outreach to our user community, including conference BOF sessions, monthly user calls, and an annual user meeting, so that we can best inform the improvements we make to Eclipse PTP. With these activities we endeavor to encourage use of modern software engineering practices, as enabled through the Eclipse IDE, with computational science and engineering applications. These practices include proper use of source code repositories, tracking and rectifying issues, measuring and monitoring code performance changes against both optimizations as well as ever-changing software stacks and configurations on HPC systems, as well as ultimately encouraging development and maintenance of testing suites -- things that have become commonplace in many software endeavors, but have lagged in the development of science applications. We view that the challenge with the increased complexity of both HPC systems and science applications demands the use of better software engineering methods, preferably enabled by modern tools such as Eclipse PTP, to help the computational science community thrive as we evolve the HPC landscape.

Capturing Petascale Application Characteristics with the Sequoia Toolkit

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

Vetter, Jeffrey S; Bhatia, Nikhil; Grobelny, Eric M

2005-01-01

Characterization of the computation, communication, memory, and I/O demands of current scientific applications is crucial for identifying which technologies will enable petascale scientific computing. In this paper, we present the Sequoia Toolkit for characterizing HPC applications. The Sequoia Toolkit consists of the Sequoia trace capture library and the Sequoia Event Analysis Library, or SEAL, that facilitates the development of tools for analyzing Sequoia event traces. Using the Sequoia Toolkit, we have characterized the behavior of application runs with up to 2048 application processes. To illustrate the use of the Sequoia Toolkit, we present a preliminary characterization of LAMMPS, a molecularmore » dynamics application of great interest to the computational biology community.« less

PhysiCell: An open source physics-based cell simulator for 3-D multicellular systems.

PubMed

Ghaffarizadeh, Ahmadreza; Heiland, Randy; Friedman, Samuel H; Mumenthaler, Shannon M; Macklin, Paul

2018-02-01

Many multicellular systems problems can only be understood by studying how cells move, grow, divide, interact, and die. Tissue-scale dynamics emerge from systems of many interacting cells as they respond to and influence their microenvironment. The ideal "virtual laboratory" for such multicellular systems simulates both the biochemical microenvironment (the "stage") and many mechanically and biochemically interacting cells (the "players" upon the stage). PhysiCell-physics-based multicellular simulator-is an open source agent-based simulator that provides both the stage and the players for studying many interacting cells in dynamic tissue microenvironments. It builds upon a multi-substrate biotransport solver to link cell phenotype to multiple diffusing substrates and signaling factors. It includes biologically-driven sub-models for cell cycling, apoptosis, necrosis, solid and fluid volume changes, mechanics, and motility "out of the box." The C++ code has minimal dependencies, making it simple to maintain and deploy across platforms. PhysiCell has been parallelized with OpenMP, and its performance scales linearly with the number of cells. Simulations up to 105-106 cells are feasible on quad-core desktop workstations; larger simulations are attainable on single HPC compute nodes. We demonstrate PhysiCell by simulating the impact of necrotic core biomechanics, 3-D geometry, and stochasticity on the dynamics of hanging drop tumor spheroids and ductal carcinoma in situ (DCIS) of the breast. We demonstrate stochastic motility, chemical and contact-based interaction of multiple cell types, and the extensibility of PhysiCell with examples in synthetic multicellular systems (a "cellular cargo delivery" system, with application to anti-cancer treatments), cancer heterogeneity, and cancer immunology. PhysiCell is a powerful multicellular systems simulator that will be continually improved with new capabilities and performance improvements. It also represents a significant independent code base for replicating results from other simulation platforms. The PhysiCell source code, examples, documentation, and support are available under the BSD license at http://PhysiCell.MathCancer.org and http://PhysiCell.sf.net.

Application of Adjoint Method and Spectral-Element Method to Tomographic Inversion of Regional Seismological Structure Beneath Japanese Islands

NASA Astrophysics Data System (ADS)

Tsuboi, S.; Miyoshi, T.; Obayashi, M.; Tono, Y.; Ando, K.

2014-12-01

Recent progress in large scale computing by using waveform modeling technique and high performance computing facility has demonstrated possibilities to perform full-waveform inversion of three dimensional (3D) seismological structure inside the Earth. We apply the adjoint method (Liu and Tromp, 2006) to obtain 3D structure beneath Japanese Islands. First we implemented Spectral-Element Method to K-computer in Kobe, Japan. We have optimized SPECFEM3D_GLOBE (Komatitsch and Tromp, 2002) by using OpenMP so that the code fits hybrid architecture of K-computer. Now we could use 82,134 nodes of K-computer (657,072 cores) to compute synthetic waveform with about 1 sec accuracy for realistic 3D Earth model and its performance was 1.2 PFLOPS. We use this optimized SPECFEM3D_GLOBE code and take one chunk around Japanese Islands from global mesh and compute synthetic seismograms with accuracy of about 10 second. We use GAP-P2 mantle tomography model (Obayashi et al., 2009) as an initial 3D model and use as many broadband seismic stations available in this region as possible to perform inversion. We then use the time windows for body waves and surface waves to compute adjoint sources and calculate adjoint kernels for seismic structure. We have performed several iteration and obtained improved 3D structure beneath Japanese Islands. The result demonstrates that waveform misfits between observed and theoretical seismograms improves as the iteration proceeds. We now prepare to use much shorter period in our synthetic waveform computation and try to obtain seismic structure for basin scale model, such as Kanto basin, where there are dense seismic network and high seismic activity. Acknowledgements: This research was partly supported by MEXT Strategic Program for Innovative Research. We used F-net seismograms of the National Research Institute for Earth Science and Disaster Prevention.

Parallel Execution of Functional Mock-up Units in Buildings Modeling

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

Ozmen, Ozgur; Nutaro, James J.; New, Joshua Ryan

2016-06-30

A Functional Mock-up Interface (FMI) defines a standardized interface to be used in computer simulations to develop complex cyber-physical systems. FMI implementation by a software modeling tool enables the creation of a simulation model that can be interconnected, or the creation of a software library called a Functional Mock-up Unit (FMU). This report describes an FMU wrapper implementation that imports FMUs into a C++ environment and uses an Euler solver that executes FMUs in parallel using Open Multi-Processing (OpenMP). The purpose of this report is to elucidate the runtime performance of the solver when a multi-component system is imported asmore » a single FMU (for the whole system) or as multiple FMUs (for different groups of components as sub-systems). This performance comparison is conducted using two test cases: (1) a simple, multi-tank problem; and (2) a more realistic use case based on the Modelica Buildings Library. In both test cases, the performance gains are promising when each FMU consists of a large number of states and state events that are wrapped in a single FMU. Load balancing is demonstrated to be a critical factor in speeding up parallel execution of multiple FMUs.« less

cljam: a library for handling DNA sequence alignment/map (SAM) with parallel processing.

PubMed

Takeuchi, Toshiki; Yamada, Atsuo; Aoki, Takashi; Nishimura, Kunihiro

2016-01-01

Next-generation sequencing can determine DNA bases and the results of sequence alignments are generally stored in files in the Sequence Alignment/Map (SAM) format and the compressed binary version (BAM) of it. SAMtools is a typical tool for dealing with files in the SAM/BAM format. SAMtools has various functions, including detection of variants, visualization of alignments, indexing, extraction of parts of the data and loci, and conversion of file formats. It is written in C and can execute fast. However, SAMtools requires an additional implementation to be used in parallel with, for example, OpenMP (Open Multi-Processing) libraries. For the accumulation of next-generation sequencing data, a simple parallelization program, which can support cloud and PC cluster environments, is required. We have developed cljam using the Clojure programming language, which simplifies parallel programming, to handle SAM/BAM data. Cljam can run in a Java runtime environment (e.g., Windows, Linux, Mac OS X) with Clojure. Cljam can process and analyze SAM/BAM files in parallel and at high speed. The execution time with cljam is almost the same as with SAMtools. The cljam code is written in Clojure and has fewer lines than other similar tools.

A Coarse-to-Fine Geometric Scale-Invariant Feature Transform for Large Size High Resolution Satellite Image Registration

PubMed Central

Chang, Xueli; Du, Siliang; Li, Yingying; Fang, Shenghui

2018-01-01

Large size high resolution (HR) satellite image matching is a challenging task due to local distortion, repetitive structures, intensity changes and low efficiency. In this paper, a novel matching approach is proposed for the large size HR satellite image registration, which is based on coarse-to-fine strategy and geometric scale-invariant feature transform (SIFT). In the coarse matching step, a robust matching method scale restrict (SR) SIFT is implemented at low resolution level. The matching results provide geometric constraints which are then used to guide block division and geometric SIFT in the fine matching step. The block matching method can overcome the memory problem. In geometric SIFT, with area constraints, it is beneficial for validating the candidate matches and decreasing searching complexity. To further improve the matching efficiency, the proposed matching method is parallelized using OpenMP. Finally, the sensing image is rectified to the coordinate of reference image via Triangulated Irregular Network (TIN) transformation. Experiments are designed to test the performance of the proposed matching method. The experimental results show that the proposed method can decrease the matching time and increase the number of matching points while maintaining high registration accuracy. PMID:29702589

Acceleration for 2D time-domain elastic full waveform inversion using a single GPU card

NASA Astrophysics Data System (ADS)

Jiang, Jinpeng; Zhu, Peimin

2018-05-01

Full waveform inversion (FWI) is a challenging procedure due to the high computational cost related to the modeling, especially for the elastic case. The graphics processing unit (GPU) has become a popular device for the high-performance computing (HPC). To reduce the long computation time, we design and implement the GPU-based 2D elastic FWI (EFWI) in time domain using a single GPU card. We parallelize the forward modeling and gradient calculations using the CUDA programming language. To overcome the limitation of relatively small global memory on GPU, the boundary saving strategy is exploited to reconstruct the forward wavefield. Moreover, the L-BFGS optimization method used in the inversion increases the convergence of the misfit function. A multiscale inversion strategy is performed in the workflow to obtain the accurate inversion results. In our tests, the GPU-based implementations using a single GPU device achieve >15 times speedup in forward modeling, and about 12 times speedup in gradient calculation, compared with the eight-core CPU implementations optimized by OpenMP. The test results from the GPU implementations are verified to have enough accuracy by comparing the results obtained from the CPU implementations.

Parallel peak pruning for scalable SMP contour tree computation

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

Carr, Hamish A.; Weber, Gunther H.; Sewell, Christopher M.

As data sets grow to exascale, automated data analysis and visualisation are increasingly important, to intermediate human understanding and to reduce demands on disk storage via in situ analysis. Trends in architecture of high performance computing systems necessitate analysis algorithms to make effective use of combinations of massively multicore and distributed systems. One of the principal analytic tools is the contour tree, which analyses relationships between contours to identify features of more than local importance. Unfortunately, the predominant algorithms for computing the contour tree are explicitly serial, and founded on serial metaphors, which has limited the scalability of this formmore » of analysis. While there is some work on distributed contour tree computation, and separately on hybrid GPU-CPU computation, there is no efficient algorithm with strong formal guarantees on performance allied with fast practical performance. Here in this paper, we report the first shared SMP algorithm for fully parallel contour tree computation, withfor-mal guarantees of O(lgnlgt) parallel steps and O(n lgn) work, and implementations with up to 10x parallel speed up in OpenMP and up to 50x speed up in NVIDIA Thrust.« less

Petascale computation performance of lightweight multiscale cardiac models using hybrid programming models.

PubMed

Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

2011-01-01

Future multiscale and multiphysics models must use the power of high performance computing (HPC) systems to enable research into human disease, translational medical science, and treatment. Previously we showed that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message passing processes (e.g. the message passing interface (MPI)) with multithreading (e.g. OpenMP, POSIX pthreads). The objective of this work is to compare the performance of such hybrid programming models when applied to the simulation of a lightweight multiscale cardiac model. Our results show that the hybrid models do not perform favourably when compared to an implementation using only MPI which is in contrast to our results using complex physiological models. Thus, with regards to lightweight multiscale cardiac models, the user may not need to increase programming complexity by using a hybrid programming approach. However, considering that model complexity will increase as well as the HPC system size in both node count and number of cores per node, it is still foreseeable that we will achieve faster than real time multiscale cardiac simulations on these systems using hybrid programming models.

Accelerated event-by-event Monte Carlo microdosimetric calculations of electrons and protons tracks on a multi-core CPU and a CUDA-enabled GPU.

PubMed

Kalantzis, Georgios; Tachibana, Hidenobu

2014-01-01

For microdosimetric calculations event-by-event Monte Carlo (MC) methods are considered the most accurate. The main shortcoming of those methods is the extensive requirement for computational time. In this work we present an event-by-event MC code of low projectile energy electron and proton tracks for accelerated microdosimetric MC simulations on a graphic processing unit (GPU). Additionally, a hybrid implementation scheme was realized by employing OpenMP and CUDA in such a way that both GPU and multi-core CPU were utilized simultaneously. The two implementation schemes have been tested and compared with the sequential single threaded MC code on the CPU. Performance comparison was established on the speed-up for a set of benchmarking cases of electron and proton tracks. A maximum speedup of 67.2 was achieved for the GPU-based MC code, while a further improvement of the speedup up to 20% was achieved for the hybrid approach. The results indicate the capability of our CPU-GPU implementation for accelerated MC microdosimetric calculations of both electron and proton tracks without loss of accuracy. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Acoustic 3D modeling by the method of integral equations

NASA Astrophysics Data System (ADS)

Malovichko, M.; Khokhlov, N.; Yavich, N.; Zhdanov, M.

2018-02-01

This paper presents a parallel algorithm for frequency-domain acoustic modeling by the method of integral equations (IE). The algorithm is applied to seismic simulation. The IE method reduces the size of the problem but leads to a dense system matrix. A tolerable memory consumption and numerical complexity were achieved by applying an iterative solver, accompanied by an effective matrix-vector multiplication operation, based on the fast Fourier transform (FFT). We demonstrate that, the IE system matrix is better conditioned than that of the finite-difference (FD) method, and discuss its relation to a specially preconditioned FD matrix. We considered several methods of matrix-vector multiplication for the free-space and layered host models. The developed algorithm and computer code were benchmarked against the FD time-domain solution. It was demonstrated that, the method could accurately calculate the seismic field for the models with sharp material boundaries and a point source and receiver located close to the free surface. We used OpenMP to speed up the matrix-vector multiplication, while MPI was used to speed up the solution of the system equations, and also for parallelizing across multiple sources. The practical examples and efficiency tests are presented as well.

fast_protein_cluster: parallel and optimized clustering of large-scale protein modeling data.

PubMed

Hung, Ling-Hong; Samudrala, Ram

2014-06-15

fast_protein_cluster is a fast, parallel and memory efficient package used to cluster 60 000 sets of protein models (with up to 550 000 models per set) generated by the Nutritious Rice for the World project. fast_protein_cluster is an optimized and extensible toolkit that supports Root Mean Square Deviation after optimal superposition (RMSD) and Template Modeling score (TM-score) as metrics. RMSD calculations using a laptop CPU are 60× faster than qcprot and 3× faster than current graphics processing unit (GPU) implementations. New GPU code further increases the speed of RMSD and TM-score calculations. fast_protein_cluster provides novel k-means and hierarchical clustering methods that are up to 250× and 2000× faster, respectively, than Clusco, and identify significantly more accurate models than Spicker and Clusco. fast_protein_cluster is written in C++ using OpenMP for multi-threading support. Custom streaming Single Instruction Multiple Data (SIMD) extensions and advanced vector extension intrinsics code accelerate CPU calculations, and OpenCL kernels support AMD and Nvidia GPUs. fast_protein_cluster is available under the M.I.T. license. (http://software.compbio.washington.edu/fast_protein_cluster) © The Author 2014. Published by Oxford University Press.

Graphics Processing Unit Acceleration of Gyrokinetic Turbulence Simulations

NASA Astrophysics Data System (ADS)

Hause, Benjamin; Parker, Scott; Chen, Yang

2013-10-01

We find a substantial increase in on-node performance using Graphics Processing Unit (GPU) acceleration in gyrokinetic delta-f particle-in-cell simulation. Optimization is performed on a two-dimensional slab gyrokinetic particle simulation using the Portland Group Fortran compiler with the OpenACC compiler directives and Fortran CUDA. Mixed implementation of both Open-ACC and CUDA is demonstrated. CUDA is required for optimizing the particle deposition algorithm. We have implemented the GPU acceleration on a third generation Core I7 gaming PC with two NVIDIA GTX 680 GPUs. We find comparable, or better, acceleration relative to the NERSC DIRAC cluster with the NVIDIA Tesla C2050 computing processor. The Tesla C 2050 is about 2.6 times more expensive than the GTX 580 gaming GPU. We also see enormous speedups (10 or more) on the Titan supercomputer at Oak Ridge with Kepler K20 GPUs. Results show speed-ups comparable or better than that of OpenMP models utilizing multiple cores. The use of hybrid OpenACC, CUDA Fortran, and MPI models across many nodes will also be discussed. Optimization strategies will be presented. We will discuss progress on optimizing the comprehensive three dimensional general geometry GEM code.

A novel heterogeneous algorithm to simulate multiphase flow in porous media on multicore CPU-GPU systems

NASA Astrophysics Data System (ADS)

McClure, J. E.; Prins, J. F.; Miller, C. T.

2014-07-01

Multiphase flow implementations of the lattice Boltzmann method (LBM) are widely applied to the study of porous medium systems. In this work, we construct a new variant of the popular "color" LBM for two-phase flow in which a three-dimensional, 19-velocity (D3Q19) lattice is used to compute the momentum transport solution while a three-dimensional, seven velocity (D3Q7) lattice is used to compute the mass transport solution. Based on this formulation, we implement a novel heterogeneous GPU-accelerated algorithm in which the mass transport solution is computed by multiple shared memory CPU cores programmed using OpenMP while a concurrent solution of the momentum transport is performed using a GPU. The heterogeneous solution is demonstrated to provide speedup of 2.6 × as compared to multi-core CPU solution and 1.8 × compared to GPU solution due to concurrent utilization of both CPU and GPU bandwidths. Furthermore, we verify that the proposed formulation provides an accurate physical representation of multiphase flow processes and demonstrate that the approach can be applied to perform heterogeneous simulations of two-phase flow in porous media using a typical GPU-accelerated workstation.

Efficient implementation of the many-body Reactive Bond Order (REBO) potential on GPU

NASA Astrophysics Data System (ADS)

Trędak, Przemysław; Rudnicki, Witold R.; Majewski, Jacek A.

2016-09-01

The second generation Reactive Bond Order (REBO) empirical potential is commonly used to accurately model a wide range hydrocarbon materials. It is also extensible to other atom types and interactions. REBO potential assumes complex multi-body interaction model, that is difficult to represent efficiently in the SIMD or SIMT programming model. Hence, despite its importance, no efficient GPGPU implementation has been developed for this potential. Here we present a detailed description of a highly efficient GPGPU implementation of molecular dynamics algorithm using REBO potential. The presented algorithm takes advantage of rarely used properties of the SIMT architecture of a modern GPU to solve difficult synchronizations issues that arise in computations of multi-body potential. Techniques developed for this problem may be also used to achieve efficient solutions of different problems. The performance of proposed algorithm is assessed using a range of model systems. It is compared to highly optimized CPU implementation (both single core and OpenMP) available in LAMMPS package. These experiments show up to 6x improvement in forces computation time using single processor of the NVIDIA Tesla K80 compared to high end 16-core Intel Xeon processor.

Finite-Difference Algorithm for Simulating 3D Electromagnetic Wavefields in Conductive Media

NASA Astrophysics Data System (ADS)

Aldridge, D. F.; Bartel, L. C.; Knox, H. A.

2013-12-01

Electromagnetic (EM) wavefields are routinely used in geophysical exploration for detection and characterization of subsurface geological formations of economic interest. Recorded EM signals depend strongly on the current conductivity of geologic media. Hence, they are particularly useful for inferring fluid content of saturated porous bodies. In order to enhance understanding of field-recorded data, we are developing a numerical algorithm for simulating three-dimensional (3D) EM wave propagation and diffusion in heterogeneous conductive materials. Maxwell's equations are combined with isotropic constitutive relations to obtain a set of six, coupled, first-order partial differential equations governing the electric and magnetic vectors. An advantage of this system is that it does not contain spatial derivatives of the three medium parameters electric permittivity, magnetic permeability, and current conductivity. Numerical solution methodology consists of explicit, time-domain finite-differencing on a 3D staggered rectangular grid. Temporal and spatial FD operators have order 2 and N, where N is user-selectable. We use an artificially-large electric permittivity to maximize the FD timestep, and thus reduce execution time. For the low frequencies typically used in geophysical exploration, accuracy is not unduly compromised. Grid boundary reflections are mitigated via convolutional perfectly matched layers (C-PMLs) imposed at the six grid flanks. A shared-memory-parallel code implementation via OpenMP directives enables rapid algorithm execution on a multi-thread computational platform. Good agreement is obtained in comparisons of numerically-generated data with reference solutions. EM wavefields are sourced via point current density and magnetic dipole vectors. Spatially-extended inductive sources (current carrying wire loops) are under development. We are particularly interested in accurate representation of high-conductivity sub-grid-scale features that are common in industrial environments (borehole casing, pipes, railroad tracks). Present efforts are oriented toward calculating the EM responses of these objects via a First Born Approximation approach. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Implementing the PM Programming Language using MPI and OpenMP - a New Tool for Programming Geophysical Models on Parallel Systems

NASA Astrophysics Data System (ADS)

Bellerby, Tim

2015-04-01

PM (Parallel Models) is a new parallel programming language specifically designed for writing environmental and geophysical models. The language is intended to enable implementers to concentrate on the science behind the model rather than the details of running on parallel hardware. At the same time PM leaves the programmer in control - all parallelisation is explicit and the parallel structure of any given program may be deduced directly from the code. This paper describes a PM implementation based on the Message Passing Interface (MPI) and Open Multi-Processing (OpenMP) standards, looking at issues involved with translating the PM parallelisation model to MPI/OpenMP protocols and considering performance in terms of the competing factors of finer-grained parallelisation and increased communication overhead. In order to maximise portability, the implementation stays within the MPI 1.3 standard as much as possible, with MPI-2 MPI-IO file handling the only significant exception. Moreover, it does not assume a thread-safe implementation of MPI. PM adopts a two-tier abstract representation of parallel hardware. A PM processor is a conceptual unit capable of efficiently executing a set of language tasks, with a complete parallel system consisting of an abstract N-dimensional array of such processors. PM processors may map to single cores executing tasks using cooperative multi-tasking, to multiple cores or even to separate processing nodes, efficiently sharing tasks using algorithms such as work stealing. While tasks may move between hardware elements within a PM processor, they may not move between processors without specific programmer intervention. Tasks are assigned to processors using a nested parallelism approach, building on ideas from Reyes et al. (2009). The main program owns all available processors. When the program enters a parallel statement then either processors are divided out among the newly generated tasks (number of new tasks < number of processors) or tasks are divided out among the available processors (number of tasks > number of processors). Nested parallel statements may further subdivide the processor set owned by a given task. Tasks or processors are distributed evenly by default, but uneven distributions are possible under programmer control. It is also possible to explicitly enable child tasks to migrate within the processor set owned by their parent task, reducing load unbalancing at the potential cost of increased inter-processor message traffic. PM incorporates some programming structures from the earlier MIST language presented at a previous EGU General Assembly, while adopting a significantly different underlying parallelisation model and type system. PM code is available at www.pm-lang.org under an unrestrictive MIT license. Reference Ruymán Reyes, Antonio J. Dorta, Francisco Almeida, Francisco de Sande, 2009. Automatic Hybrid MPI+OpenMP Code Generation with llc, Recent Advances in Parallel Virtual Machine and Message Passing Interface, Lecture Notes in Computer Science Volume 5759, 185-195

Workload Characterization of CFD Applications Using Partial Differential Equation Solvers

NASA Technical Reports Server (NTRS)

Waheed, Abdul; Yan, Jerry; Saini, Subhash (Technical Monitor)

1998-01-01

Workload characterization is used for modeling and evaluating of computing systems at different levels of detail. We present workload characterization for a class of Computational Fluid Dynamics (CFD) applications that solve Partial Differential Equations (PDEs). This workload characterization focuses on three high performance computing platforms: SGI Origin2000, EBM SP-2, a cluster of Intel Pentium Pro bases PCs. We execute extensive measurement-based experiments on these platforms to gather statistics of system resource usage, which results in workload characterization. Our workload characterization approach yields a coarse-grain resource utilization behavior that is being applied for performance modeling and evaluation of distributed high performance metacomputing systems. In addition, this study enhances our understanding of interactions between PDE solver workloads and high performance computing platforms and is useful for tuning these applications.

Nanoporous Gold: Fabrication, Characterization, and Applications

PubMed Central

Seker, Erkin; Reed, Michael L.; Begley, Matthew R.

2009-01-01

Nanoporous gold (np-Au) has intriguing material properties that offer potential benefits for many applications due to its high specific surface area, well-characterized thiol-gold surface chemistry, high electrical conductivity, and reduced stiffness. The research on np-Au has taken place on various fronts, including advanced microfabrication and characterization techniques to probe unusual nanoscale properties and applications spanning from fuel cells to electrochemical sensors. Here, we provide a review of the recent advances in np-Au research, with special emphasis on microfabrication and characterization techniques. We conclude the paper with a brief outline of challenges to overcome in the study of nanoporous metals.

Characterization of spray deposition and drift from a low drift nozzle for aerial application at different application altitudes

USDA-ARS?s Scientific Manuscript database

A complex interaction of controllable and uncontrollable factors is involved in aerial application of crop production and protection materials. Although it is difficult to completely characterize spray deposition and drift, these important factors can be estimated with appropriate sampling protocol ...

The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation

NASA Astrophysics Data System (ADS)

Sanna, N.; Baccarelli, I.; Morelli, G.

2009-12-01

VOLSCAT is a computer program which implements the Single Center Expansion (SCE) method to solve the scattering equation for the elastic collision of electrons/positrons off molecular targets. The scattering potential needed is calculated by on-the-fly calls to the external SCELib library for molecular properties, recently ported to GPU computing environment and ClearSpeed platforms, and made available by means of an Application Program Interface (SCELib-API) which is also provided with the VOLSCAT package in a beta version. The result is a high throughput approach to the solution of the complex e/e-molecule scattering problem, with allows for intensive calculations both for the number of systems which can be studied and for their size. Accurate partial and total elastic cross sections are produced in output together with the associated eigenphase sums. Indirect scattering processes arising from the formation of temporary negative ions can also be analyzed through the computation of the resonances' parameters. Program summaryProgram title: VOLSCAT V1.0 Catalogue identifier: AEEW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 4 618 353 No. of bytes in distributed program, including test data, etc.: 120 307 536 Distribution format: tar.gz Programming language: Fortran90 Computer: All SMP platforms based on AIX, Linux and SUNOS operating systems over SPARC, POWER, Intel Itanium2, X86, em64t and Opteron processors Operating system: SUNOS, IBM AIX, Linux RedHat (Enterprise), Linux SuSE (SLES) Has the code been vectorized or parallelized?: Yes. The parallel version in the present release of the code is limited to the OpenMP calculation of the exchange potential V or V. The number of OpenMP threads can then be set in the input script. RAM: For a typical (isolated) biomolecule (e.g. Cytosine or Ribose) a converged calculation would require from 320 MB up to 2.5 GB. Word size: 64 bits Classification: 16.5 External routines: LAPACK (dsyev, dgetri, dgetrf) ( http://www.netlib.org/lapack/) Nature of problem: In this set of codes an efficient procedure is implemented to calculate partial cross section for the scattering between an electron/positron and a molecular target as a function of the collision energies. Solution method: The scattering equations are derived in the framework of the Single Center Expansion (SCE) procedure which allows the reduction of the original three-dimensional problem to a radial (one-dimensional) equation through the expansion of the scattering potential and the system wavefunction in a set of symmetry-adapted (real) spherical harmonics. The local part of the electrostatic interaction between the charged projectile (electron/positron) and the molecular target is provided in input by the SCELib library, which also provides the correlation and polarization corrections for the short-range and long-range part, respectively, of the interaction. A proper Application Programming Interface (API) is used by VOLSCAT to load the energy-independent part of the potential while the non-local exchange contribution is approximated by a local form and calculated on the fly in the VOLSCAT run for each desired collision energy. The resulting SCE one-dimensional homogeneous scattering equation is rewritten in an integral form by means of the standard Green's function technique resulting in a set of Volterra coupled equations which are solved to give the phase shifts and cross sections for any desired impact energy in terms of the partial components defined by the irreducible representations of the symmetry point group to which the target molecule belongs. The total cross section can then be straightforwardly calculated by summing over all the partial cross sections produced in the output. By the Breit-Wigner analysis of the eigenphase sum produced as a function of the energy one can also get information on the location of possible resonance states arising in the collision process. Restrictions: Depending on the molecular system under study and on the operating conditions the program may or may not fit into available RAM memory. Additional comments: A beta version of SCELib-API is included in the distribution package. Running time: The execution time strongly depends on the molecular target description and on the hardware/OS chosen, it is directly proportional to the (r,θ,φ) grid size and to the number of angular basis functions used.

Site Characterization Technologies for DNAPL Investigations

EPA Pesticide Factsheets

This document is intended to help managers at sites with potential or confirmed DNAPL contamination identify suitable characterization technologies, screen the technologies for potential application, learn about applications at similar sites, and...

Automated quantitative micro-mineralogical characterization for environmental applications

USGS Publications Warehouse

Smith, Kathleen S.; Hoal, K.O.; Walton-Day, Katherine; Stammer, J.G.; Pietersen, K.

2013-01-01

Characterization of ore and waste-rock material using automated quantitative micro-mineralogical techniques (e.g., QEMSCAN® and MLA) has the potential to complement traditional acid-base accounting and humidity cell techniques when predicting acid generation and metal release. These characterization techniques, which most commonly are used for metallurgical, mineral-processing, and geometallurgical applications, can be broadly applied throughout the mine-life cycle to include numerous environmental applications. Critical insights into mineral liberation, mineral associations, particle size, particle texture, and mineralogical residence phase(s) of environmentally important elements can be used to anticipate potential environmental challenges. Resources spent on initial characterization result in lower uncertainties of potential environmental impacts and possible cost savings associated with remediation and closure. Examples illustrate mineralogical and textural characterization of fluvial tailings material from the upper Arkansas River in Colorado.

Advanced NDE techniques for quantitative characterization of aircraft

NASA Technical Reports Server (NTRS)

Heyman, Joseph S.; Winfree, William P.

1990-01-01

Recent advances in nondestructive evaluation (NDE) at NASA Langley Research Center and their applications that have resulted in quantitative assessment of material properties based on thermal and ultrasonic measurements are reviewed. Specific applications include ultrasonic determination of bolt tension, ultrasonic and thermal characterization of bonded layered structures, characterization of composite materials, and disbonds in aircraft skins.

40 CFR 761.260 - Applicability.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.260 Applicability. This subpart provides a method for collecting new data for characterizing a PCB remediation waste...

Snowflake: A Lightweight Portable Stencil DSL

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

Zhang, Nathan; Driscoll, Michael; Markley, Charles

Stencil computations are not well optimized by general-purpose production compilers and the increased use of multicore, manycore, and accelerator-based systems makes the optimization problem even more challenging. In this paper we present Snowflake, a Domain Specific Language (DSL) for stencils that uses a 'micro-compiler' approach, i.e., small, focused, domain-specific code generators. The approach is similar to that used in image processing stencils, but Snowflake handles the much more complex stencils that arise in scientific computing, including complex boundary conditions, higher-order operators (larger stencils), higher dimensions, variable coefficients, non-unit-stride iteration spaces, and multiple input or output meshes. Snowflake is embedded inmore » the Python language, allowing it to interoperate with popular scientific tools like SciPy and iPython; it also takes advantage of built-in Python libraries for powerful dependence analysis as part of a just-in-time compiler. We demonstrate the power of the Snowflake language and the micro-compiler approach with a complex scientific benchmark, HPGMG, that exercises the generality of stencil support in Snowflake. By generating OpenMP comparable to, and OpenCL within a factor of 2x of hand-optimized HPGMG, Snowflake demonstrates that a micro-compiler can support diverse processor architectures and is performance-competitive whilst preserving a high-level Python implementation.« less

Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor

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

Bylaska, Eric J.; Jacquelin, Mathias; De Jong, Wibe A.

2017-10-20

Ab-initio Molecular Dynamics (AIMD) methods are an important class of algorithms, as they enable scientists to understand the chemistry and dynamics of molecular and condensed phase systems while retaining a first-principles-based description of their interactions. Many-core architectures such as the Intel® Xeon Phi™ processor are an interesting and promising target for these algorithms, as they can provide the computational power that is needed to solve interesting problems in chemistry. In this paper, we describe the efforts of refactoring the existing AIMD plane-wave method of NWChem from an MPI-only implementation to a scalable, hybrid code that employs MPI and OpenMP tomore » exploit the capabilities of current and future many-core architectures. We describe the optimizations required to get close to optimal performance for the multiplication of the tall-and-skinny matrices that form the core of the computational algorithm. We present strong scaling results on the complete AIMD simulation for a test case that simulates 256 water molecules and that strong-scales well on a cluster of 1024 nodes of Intel Xeon Phi processors. We compare the performance obtained with a cluster of dual-socket Intel® Xeon® E5–2698v3 processors.« less

Snowflake: A Lightweight Portable Stencil DSL

DOE PAGES

Zhang, Nathan; Driscoll, Michael; Markley, Charles; ...

2017-05-01

Stencil computations are not well optimized by general-purpose production compilers and the increased use of multicore, manycore, and accelerator-based systems makes the optimization problem even more challenging. In this paper we present Snowflake, a Domain Specific Language (DSL) for stencils that uses a 'micro-compiler' approach, i.e., small, focused, domain-specific code generators. The approach is similar to that used in image processing stencils, but Snowflake handles the much more complex stencils that arise in scientific computing, including complex boundary conditions, higher-order operators (larger stencils), higher dimensions, variable coefficients, non-unit-stride iteration spaces, and multiple input or output meshes. Snowflake is embedded inmore » the Python language, allowing it to interoperate with popular scientific tools like SciPy and iPython; it also takes advantage of built-in Python libraries for powerful dependence analysis as part of a just-in-time compiler. We demonstrate the power of the Snowflake language and the micro-compiler approach with a complex scientific benchmark, HPGMG, that exercises the generality of stencil support in Snowflake. By generating OpenMP comparable to, and OpenCL within a factor of 2x of hand-optimized HPGMG, Snowflake demonstrates that a micro-compiler can support diverse processor architectures and is performance-competitive whilst preserving a high-level Python implementation.« less

HipMCL: a high-performance parallel implementation of the Markov clustering algorithm for large-scale networks

PubMed Central

Azad, Ariful; Ouzounis, Christos A; Kyrpides, Nikos C; Buluç, Aydin

2018-01-01

Abstract Biological networks capture structural or functional properties of relevant entities such as molecules, proteins or genes. Characteristic examples are gene expression networks or protein–protein interaction networks, which hold information about functional affinities or structural similarities. Such networks have been expanding in size due to increasing scale and abundance of biological data. While various clustering algorithms have been proposed to find highly connected regions, Markov Clustering (MCL) has been one of the most successful approaches to cluster sequence similarity or expression networks. Despite its popularity, MCL’s scalability to cluster large datasets still remains a bottleneck due to high running times and memory demands. Here, we present High-performance MCL (HipMCL), a parallel implementation of the original MCL algorithm that can run on distributed-memory computers. We show that HipMCL can efficiently utilize 2000 compute nodes and cluster a network of ∼70 million nodes with ∼68 billion edges in ∼2.4 h. By exploiting distributed-memory environments, HipMCL clusters large-scale networks several orders of magnitude faster than MCL and enables clustering of even bigger networks. HipMCL is based on MPI and OpenMP and is freely available under a modified BSD license. PMID:29315405

High-Performance Reactive Particle Tracking with Adaptive Representation

NASA Astrophysics Data System (ADS)

Schmidt, M.; Benson, D. A.; Pankavich, S.

2017-12-01

Lagrangian particle tracking algorithms have been shown to be effective tools for modeling chemical reactions in imperfectly-mixed media. One disadvantage of these algorithms is the possible need to employ large numbers of particles in simulations, depending on the concentration covariance structure, and these large particle numbers can lead to long computation times. Two distinct approaches have recently arisen to overcome this. One method employs spatial kernels that are related to a specified, reduced particle number; however, over-wide kernels, dictated by a very low particle number, lead to an excess of reaction calculations and cause a reduction in performance. Another formulation involves hybrid particles that carry multiple species of reactant, wherein each particle is treated as its own well-mixed volume, obviating the need for large numbers of particles for each species but still requiring a fixed number of hybrid particles. Here, we combine these two approaches and demonstrate an improved method for simulating a given system in a computationally efficient manner. Additionally, the independent nature of transport and reaction calculations in this approach allows for significant gains via parallelization in an MPI or OpenMP context. For benchmarking, we choose a CO2 injection simulation with dissolution and precipitation of calcite and dolomite, allowing us to derive the proper treatment of interaction between solid and aqueous phases.

Dynamic Multiple Work Stealing Strategy for Flexible Load Balancing

NASA Astrophysics Data System (ADS)

Adnan; Sato, Mitsuhisa

Lazy-task creation is an efficient method of overcoming the overhead of the grain-size problem in parallel computing. Work stealing is an effective load balancing strategy for parallel computing. In this paper, we present dynamic work stealing strategies in a lazy-task creation technique for efficient fine-grain task scheduling. The basic idea is to control load balancing granularity depending on the number of task parents in a stack. The dynamic-length strategy of work stealing uses run-time information, which is information on the load of the victim, to determine the number of tasks that a thief is allowed to steal. We compare it with the bottommost first work stealing strategy used in StackThread/MP, and the fixed-length strategy of work stealing, where a thief requests to steal a fixed number of tasks, as well as other multithreaded frameworks such as Cilk and OpenMP task implementations. The experiments show that the dynamic-length strategy of work stealing performs well in irregular workloads such as in UTS benchmarks, as well as in regular workloads such as Fibonacci, Strassen's matrix multiplication, FFT, and Sparse-LU factorization. The dynamic-length strategy works better than the fixed-length strategy because it is more flexible than the latter; this strategy can avoid load imbalance due to overstealing.

Hot Chips and Hot Interconnects for High End Computing Systems

NASA Technical Reports Server (NTRS)

Saini, Subhash

2005-01-01

I will discuss several processors: 1. The Cray proprietary processor used in the Cray X1; 2. The IBM Power 3 and Power 4 used in an IBM SP 3 and IBM SP 4 systems; 3. The Intel Itanium and Xeon, used in the SGI Altix systems and clusters respectively; 4. IBM System-on-a-Chip used in IBM BlueGene/L; 5. HP Alpha EV68 processor used in DOE ASCI Q cluster; 6. SPARC64 V processor, which is used in the Fujitsu PRIMEPOWER HPC2500; 7. An NEC proprietary processor, which is used in NEC SX-6/7; 8. Power 4+ processor, which is used in Hitachi SR11000; 9. NEC proprietary processor, which is used in Earth Simulator. The IBM POWER5 and Red Storm Computing Systems will also be discussed. The architectures of these processors will first be presented, followed by interconnection networks and a description of high-end computer systems based on these processors and networks. The performance of various hardware/programming model combinations will then be compared, based on latest NAS Parallel Benchmark results (MPI, OpenMP/HPF and hybrid (MPI + OpenMP). The tutorial will conclude with a discussion of general trends in the field of high performance computing, (quantum computing, DNA computing, cellular engineering, and neural networks).

Study on Development of 1D-2D Coupled Real-time Urban Inundation Prediction model

NASA Astrophysics Data System (ADS)

Lee, Seungsoo

2017-04-01

In recent years, we are suffering abnormal weather condition due to climate change around the world. Therefore, countermeasures for flood defense are urgent task. In this research, study on development of 1D-2D coupled real-time urban inundation prediction model using predicted precipitation data based on remote sensing technology is conducted. 1 dimensional (1D) sewerage system analysis model which was introduced by Lee et al. (2015) is used to simulate inlet and overflow phenomena by interacting with surface flown as well as flows in conduits. 2 dimensional (2D) grid mesh refinement method is applied to depict road networks for effective calculation time. 2D surface model is coupled with 1D sewerage analysis model in order to consider bi-directional flow between both. Also parallel computing method, OpenMP, is applied to reduce calculation time. The model is estimated by applying to 25 August 2014 extreme rainfall event which caused severe inundation damages in Busan, Korea. Oncheoncheon basin is selected for study basin and observed radar data are assumed as predicted rainfall data. The model shows acceptable calculation speed with accuracy. Therefore it is expected that the model can be used for real-time urban inundation forecasting system to minimize damages.

Optimization of computations for adjoint field and Jacobian needed in 3D CSEM inversion

NASA Astrophysics Data System (ADS)

Dehiya, Rahul; Singh, Arun; Gupta, Pravin K.; Israil, M.

2017-01-01

We present the features and results of a newly developed code, based on Gauss-Newton optimization technique, for solving three-dimensional Controlled-Source Electromagnetic inverse problem. In this code a special emphasis has been put on representing the operations by block matrices for conjugate gradient iteration. We show how in the computation of Jacobian, the matrix formed by differentiation of system matrix can be made independent of frequency to optimize the operations at conjugate gradient step. The coarse level parallel computing, using OpenMP framework, is used primarily due to its simplicity in implementation and accessibility of shared memory multi-core computing machine to almost anyone. We demonstrate how the coarseness of modeling grid in comparison to source (comp`utational receivers) spacing can be exploited for efficient computing, without compromising the quality of the inverted model, by reducing the number of adjoint calls. It is also demonstrated that the adjoint field can even be computed on a grid coarser than the modeling grid without affecting the inversion outcome. These observations were reconfirmed using an experiment design where the deviation of source from straight tow line is considered. Finally, a real field data inversion experiment is presented to demonstrate robustness of the code.

Parallelized computation for computer simulation of electrocardiograms using personal computers with multi-core CPU and general-purpose GPU.

PubMed

Shen, Wenfeng; Wei, Daming; Xu, Weimin; Zhu, Xin; Yuan, Shizhong

2010-10-01

Biological computations like electrocardiological modelling and simulation usually require high-performance computing environments. This paper introduces an implementation of parallel computation for computer simulation of electrocardiograms (ECGs) in a personal computer environment with an Intel CPU of Core (TM) 2 Quad Q6600 and a GPU of Geforce 8800GT, with software support by OpenMP and CUDA. It was tested in three parallelization device setups: (a) a four-core CPU without a general-purpose GPU, (b) a general-purpose GPU plus 1 core of CPU, and (c) a four-core CPU plus a general-purpose GPU. To effectively take advantage of a multi-core CPU and a general-purpose GPU, an algorithm based on load-prediction dynamic scheduling was developed and applied to setting (c). In the simulation with 1600 time steps, the speedup of the parallel computation as compared to the serial computation was 3.9 in setting (a), 16.8 in setting (b), and 20.0 in setting (c). This study demonstrates that a current PC with a multi-core CPU and a general-purpose GPU provides a good environment for parallel computations in biological modelling and simulation studies. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

Code Modernization of VPIC

NASA Astrophysics Data System (ADS)

Bird, Robert; Nystrom, David; Albright, Brian

2017-10-01

The ability of scientific simulations to effectively deliver performant computation is increasingly being challenged by successive generations of high-performance computing architectures. Code development to support efficient computation on these modern architectures is both expensive, and highly complex; if it is approached without due care, it may also not be directly transferable between subsequent hardware generations. Previous works have discussed techniques to support the process of adapting a legacy code for modern hardware generations, but despite the breakthroughs in the areas of mini-app development, portable-performance, and cache oblivious algorithms the problem still remains largely unsolved. In this work we demonstrate how a focus on platform agnostic modern code-development can be applied to Particle-in-Cell (PIC) simulations to facilitate effective scientific delivery. This work builds directly on our previous work optimizing VPIC, in which we replaced intrinsic based vectorisation with compile generated auto-vectorization to improve the performance and portability of VPIC. In this work we present the use of a specialized SIMD queue for processing some particle operations, and also preview a GPU capable OpenMP variant of VPIC. Finally we include a lessons learnt. Work performed under the auspices of the U.S. Dept. of Energy by the Los Alamos National Security, LLC Los Alamos National Laboratory under contract DE-AC52-06NA25396 and supported by the LANL LDRD program.

HipMCL: a high-performance parallel implementation of the Markov clustering algorithm for large-scale networks

DOE PAGES

Azad, Ariful; Pavlopoulos, Georgios A.; Ouzounis, Christos A.; ...

2018-01-05

Biological networks capture structural or functional properties of relevant entities such as molecules, proteins or genes. Characteristic examples are gene expression networks or protein–protein interaction networks, which hold information about functional affinities or structural similarities. Such networks have been expanding in size due to increasing scale and abundance of biological data. While various clustering algorithms have been proposed to find highly connected regions, Markov Clustering (MCL) has been one of the most successful approaches to cluster sequence similarity or expression networks. Despite its popularity, MCL’s scalability to cluster large datasets still remains a bottleneck due to high running times andmore » memory demands. In this paper, we present High-performance MCL (HipMCL), a parallel implementation of the original MCL algorithm that can run on distributed-memory computers. We show that HipMCL can efficiently utilize 2000 compute nodes and cluster a network of ~70 million nodes with ~68 billion edges in ~2.4 h. By exploiting distributed-memory environments, HipMCL clusters large-scale networks several orders of magnitude faster than MCL and enables clustering of even bigger networks. Finally, HipMCL is based on MPI and OpenMP and is freely available under a modified BSD license.« less

HipMCL: a high-performance parallel implementation of the Markov clustering algorithm for large-scale networks

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

Azad, Ariful; Pavlopoulos, Georgios A.; Ouzounis, Christos A.

Biological networks capture structural or functional properties of relevant entities such as molecules, proteins or genes. Characteristic examples are gene expression networks or protein–protein interaction networks, which hold information about functional affinities or structural similarities. Such networks have been expanding in size due to increasing scale and abundance of biological data. While various clustering algorithms have been proposed to find highly connected regions, Markov Clustering (MCL) has been one of the most successful approaches to cluster sequence similarity or expression networks. Despite its popularity, MCL’s scalability to cluster large datasets still remains a bottleneck due to high running times andmore » memory demands. In this paper, we present High-performance MCL (HipMCL), a parallel implementation of the original MCL algorithm that can run on distributed-memory computers. We show that HipMCL can efficiently utilize 2000 compute nodes and cluster a network of ~70 million nodes with ~68 billion edges in ~2.4 h. By exploiting distributed-memory environments, HipMCL clusters large-scale networks several orders of magnitude faster than MCL and enables clustering of even bigger networks. Finally, HipMCL is based on MPI and OpenMP and is freely available under a modified BSD license.« less

Hybrid Parallel Contour Trees, Version 1.0

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

Sewell, Christopher; Fasel, Patricia; Carr, Hamish

A common operation in scientific visualization is to compute and render a contour of a data set. Given a function of the form f : R^d -> R, a level set is defined as an inverse image f^-1(h) for an isovalue h, and a contour is a single connected component of a level set. The Reeb graph can then be defined to be the result of contracting each contour to a single point, and is well defined for Euclidean spaces or for general manifolds. For simple domains, the graph is guaranteed to be a tree, and is called the contourmore » tree. Analysis can then be performed on the contour tree in order to identify isovalues of particular interest, based on various metrics, and render the corresponding contours, without having to know such isovalues a priori. This code is intended to be the first data-parallel algorithm for computing contour trees. Our implementation will use the portable data-parallel primitives provided by Nvidia’s Thrust library, allowing us to compile our same code for both GPUs and multi-core CPUs. Native OpenMP and purely serial versions of the code will likely also be included. It will also be extended to provide a hybrid data-parallel / distributed algorithm, allowing scaling beyond a single GPU or CPU.« less

QR-decomposition based SENSE reconstruction using parallel architecture.

PubMed

Ullah, Irfan; Nisar, Habab; Raza, Haseeb; Qasim, Malik; Inam, Omair; Omer, Hammad

2018-04-01

Magnetic Resonance Imaging (MRI) is a powerful medical imaging technique that provides essential clinical information about the human body. One major limitation of MRI is its long scan time. Implementation of advance MRI algorithms on a parallel architecture (to exploit inherent parallelism) has a great potential to reduce the scan time. Sensitivity Encoding (SENSE) is a Parallel Magnetic Resonance Imaging (pMRI) algorithm that utilizes receiver coil sensitivities to reconstruct MR images from the acquired under-sampled k-space data. At the heart of SENSE lies inversion of a rectangular encoding matrix. This work presents a novel implementation of GPU based SENSE algorithm, which employs QR decomposition for the inversion of the rectangular encoding matrix. For a fair comparison, the performance of the proposed GPU based SENSE reconstruction is evaluated against single and multicore CPU using openMP. Several experiments against various acceleration factors (AFs) are performed using multichannel (8, 12 and 30) phantom and in-vivo human head and cardiac datasets. Experimental results show that GPU significantly reduces the computation time of SENSE reconstruction as compared to multi-core CPU (approximately 12x speedup) and single-core CPU (approximately 53x speedup) without any degradation in the quality of the reconstructed images. Copyright © 2018 Elsevier Ltd. All rights reserved.

The characterization of weighted local hardy spaces on domains and its application.

PubMed

Wang, Heng-geng; Yang, Xiao-ming

2004-09-01

In this paper, we give the four equivalent characterizations for the weighted local hardy spaces on Lipschitz domains. Also, we give their application for the harmonic function defined in bounded Lipschitz domains.

Preparation and characterization of Sb2Se3 devices for memory applications

NASA Astrophysics Data System (ADS)

Shylashree, N.; Uma B., V.; Dhanush, S.; Abachi, Sagar; Nisarga, A.; Aashith, K.; Sangeetha B., G.

2018-05-01

In this paper, A phase change material of Sb2Se3 was proposed for non volatile memory application. The thin film device preparation and characterization were carried out. The deposition method used was vapor evaporation technique and a thickness of 180nm was deposited. The switching between the SET and RESET state is shown by the I-V characterization. The change of phase was studied using R-V characterization. Different fundamental modes were also identified using Raman spectroscopy.

Invited article: Dielectric material characterization techniques and designs of high-Q resonators for applications from micro to millimeter-waves frequencies applicable at room and cryogenic temperatures.

PubMed

Le Floch, Jean-Michel; Fan, Y; Humbert, Georges; Shan, Qingxiao; Férachou, Denis; Bara-Maillet, Romain; Aubourg, Michel; Hartnett, John G; Madrangeas, Valerie; Cros, Dominique; Blondy, Jean-Marc; Krupka, Jerzy; Tobar, Michael E

2014-03-01

Dielectric resonators are key elements in many applications in micro to millimeter wave circuits, including ultra-narrow band filters and frequency-determining components for precision frequency synthesis. Distributed-layered and bulk low-loss crystalline and polycrystalline dielectric structures have become very important for building these devices. Proper design requires careful electromagnetic characterization of low-loss material properties. This includes exact simulation with precision numerical software and precise measurements of resonant modes. For example, we have developed the Whispering Gallery mode technique for microwave applications, which has now become the standard for characterizing low-loss structures. This paper will give some of the most common characterization techniques used in the micro to millimeter wave regime at room and cryogenic temperatures for designing high-Q dielectric loaded cavities.

Instruction-level performance modeling and characterization of multimedia applications

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

Luo, Y.; Cameron, K.W.

1999-06-01

One of the challenges for characterizing and modeling realistic multimedia applications is the lack of access to source codes. On-chip performance counters effectively resolve this problem by monitoring run-time behaviors at the instruction-level. This paper presents a novel technique of characterizing and modeling workloads at the instruction level for realistic multimedia applications using hardware performance counters. A variety of instruction counts are collected from some multimedia applications, such as RealPlayer, GSM Vocoder, MPEG encoder/decoder, and speech synthesizer. These instruction counts can be used to form a set of abstract characteristic parameters directly related to a processor`s architectural features. Based onmore » microprocessor architectural constraints and these calculated abstract parameters, the architectural performance bottleneck for a specific application can be estimated. Meanwhile, the bottleneck estimation can provide suggestions about viable architectural/functional improvement for certain workloads. The biggest advantage of this new characterization technique is a better understanding of processor utilization efficiency and architectural bottleneck for each application. This technique also provides predictive insight of future architectural enhancements and their affect on current codes. In this paper the authors also attempt to model architectural effect on processor utilization without memory influence. They derive formulas for calculating CPI{sub 0}, CPI without memory effect, and they quantify utilization of architectural parameters. These equations are architecturally diagnostic and predictive in nature. Results provide promise in code characterization, and empirical/analytical modeling.« less

Real-time X-ray Diffraction: Applications to Materials Characterization

NASA Technical Reports Server (NTRS)

Rosemeier, R. G.

1984-01-01

With the high speed growth of materials it becomes necessary to develop measuring systems which also have the capabilities of characterizing these materials at high speeds. One of the conventional techniques of characterizing materials was X-ray diffraction. Film, which is the oldest method of recording the X-ray diffraction phenomenon, is not quite adequate in most circumstances to record fast changing events. Even though conventional proportional counters and scintillation counters can provide the speed necessary to record these changing events, they lack the ability to provide image information which may be important in some types of experiment or production arrangements. A selected number of novel applications of using X-ray diffraction to characterize materials in real-time are discussed. Also, device characteristics of some X-ray intensifiers useful in instantaneous X-ray diffraction applications briefly presented. Real-time X-ray diffraction experiments with the incorporation of image X-ray intensification add a new dimension in the characterization of materials. The uses of real-time image intensification in laboratory and production arrangements are quite unlimited and their application depends more upon the ingenuity of the scientist or engineer.

Applications of Surface Plasmon Resonance for Characterization of Molecules Important in the Pathogenesis and Treatment of Neurodegenerative Diseases

PubMed Central

Wittenberg, Nathan J.; Wootla, Bharath; Jordan, Luke R.; Denic, Aleksandar; Warrington, Arthur E.; Oh, Sang-Hyun; Rodriguez, Moses

2014-01-01

Characterization of binding kinetics and affinity between a potential new drug and its receptor are key steps in the development of new drugs. Among the techniques available to determine binding affinities, surface plasmon resonance has emerged as the gold standard because it can measure binding and dissociation rates in real-time in a label-free fashion. Surface plasmon resonance is now finding applications in the characterization of molecules for treatment of neurodegenerative diseases, characterization of molecules associated with pathogenesis of neurodegenerative diseases and detection of neurodegenerative disease biomarkers. In addition it has been used in the characterization of a new class of natural autoantibodies that have therapeutic potential in a number of neurologic diseases. In this review we will introduce surface plasmon resonance and describe some applications of the technique that pertain to neurodegenerative disorders and their treatment. PMID:24625008

OFF, Open source Finite volume Fluid dynamics code: A free, high-order solver based on parallel, modular, object-oriented Fortran API

NASA Astrophysics Data System (ADS)

Zaghi, S.

2014-07-01

OFF, an open source (free software) code for performing fluid dynamics simulations, is presented. The aim of OFF is to solve, numerically, the unsteady (and steady) compressible Navier-Stokes equations of fluid dynamics by means of finite volume techniques: the research background is mainly focused on high-order (WENO) schemes for multi-fluids, multi-phase flows over complex geometries. To this purpose a highly modular, object-oriented application program interface (API) has been developed. In particular, the concepts of data encapsulation and inheritance available within Fortran language (from standard 2003) have been stressed in order to represent each fluid dynamics "entity" (e.g. the conservative variables of a finite volume, its geometry, etc…) by a single object so that a large variety of computational libraries can be easily (and efficiently) developed upon these objects. The main features of OFF can be summarized as follows: Programming LanguageOFF is written in standard (compliant) Fortran 2003; its design is highly modular in order to enhance simplicity of use and maintenance without compromising the efficiency; Parallel Frameworks Supported the development of OFF has been also targeted to maximize the computational efficiency: the code is designed to run on shared-memory multi-cores workstations and distributed-memory clusters of shared-memory nodes (supercomputers); the code's parallelization is based on Open Multiprocessing (OpenMP) and Message Passing Interface (MPI) paradigms; Usability, Maintenance and Enhancement in order to improve the usability, maintenance and enhancement of the code also the documentation has been carefully taken into account; the documentation is built upon comprehensive comments placed directly into the source files (no external documentation files needed): these comments are parsed by means of doxygen free software producing high quality html and latex documentation pages; the distributed versioning system referred as git has been adopted in order to facilitate the collaborative maintenance and improvement of the code; CopyrightsOFF is a free software that anyone can use, copy, distribute, study, change and improve under the GNU Public License version 3. The present paper is a manifesto of OFF code and presents the currently implemented features and ongoing developments. This work is focused on the computational techniques adopted and a detailed description of the main API characteristics is reported. OFF capabilities are demonstrated by means of one and two dimensional examples and a three dimensional real application.

Parallel 3D Mortar Element Method for Adaptive Nonconforming Meshes

NASA Technical Reports Server (NTRS)

Feng, Huiyu; Mavriplis, Catherine; VanderWijngaart, Rob; Biswas, Rupak

2004-01-01

High order methods are frequently used in computational simulation for their high accuracy. An efficient way to avoid unnecessary computation in smooth regions of the solution is to use adaptive meshes which employ fine grids only in areas where they are needed. Nonconforming spectral elements allow the grid to be flexibly adjusted to satisfy the computational accuracy requirements. The method is suitable for computational simulations of unsteady problems with very disparate length scales or unsteady moving features, such as heat transfer, fluid dynamics or flame combustion. In this work, we select the Mark Element Method (MEM) to handle the non-conforming interfaces between elements. A new technique is introduced to efficiently implement MEM in 3-D nonconforming meshes. By introducing an "intermediate mortar", the proposed method decomposes the projection between 3-D elements and mortars into two steps. In each step, projection matrices derived in 2-D are used. The two-step method avoids explicitly forming/deriving large projection matrices for 3-D meshes, and also helps to simplify the implementation. This new technique can be used for both h- and p-type adaptation. This method is applied to an unsteady 3-D moving heat source problem. With our new MEM implementation, mesh adaptation is able to efficiently refine the grid near the heat source and coarsen the grid once the heat source passes. The savings in computational work resulting from the dynamic mesh adaptation is demonstrated by the reduction of the the number of elements used and CPU time spent. MEM and mesh adaptation, respectively, bring irregularity and dynamics to the computer memory access pattern. Hence, they provide a good way to gauge the performance of computer systems when running scientific applications whose memory access patterns are irregular and unpredictable. We select a 3-D moving heat source problem as the Unstructured Adaptive (UA) grid benchmark, a new component of the NAS Parallel Benchmarks (NPB). In this paper, we present some interesting performance results of ow OpenMP parallel implementation on different architectures such as the SGI Origin2000, SGI Altix, and Cray MTA-2.

List-mode PET image reconstruction for motion correction using the Intel XEON PHI co-processor

NASA Astrophysics Data System (ADS)

Ryder, W. J.; Angelis, G. I.; Bashar, R.; Gillam, J. E.; Fulton, R.; Meikle, S.

2014-03-01

List-mode image reconstruction with motion correction is computationally expensive, as it requires projection of hundreds of millions of rays through a 3D array. To decrease reconstruction time it is possible to use symmetric multiprocessing computers or graphics processing units. The former can have high financial costs, while the latter can require refactoring of algorithms. The Xeon Phi is a new co-processor card with a Many Integrated Core architecture that can run 4 multiple-instruction, multiple data threads per core with each thread having a 512-bit single instruction, multiple data vector register. Thus, it is possible to run in the region of 220 threads simultaneously. The aim of this study was to investigate whether the Xeon Phi co-processor card is a viable alternative to an x86 Linux server for accelerating List-mode PET image reconstruction for motion correction. An existing list-mode image reconstruction algorithm with motion correction was ported to run on the Xeon Phi coprocessor with the multi-threading implemented using pthreads. There were no differences between images reconstructed using the Phi co-processor card and images reconstructed using the same algorithm run on a Linux server. However, it was found that the reconstruction runtimes were 3 times greater for the Phi than the server. A new version of the image reconstruction algorithm was developed in C++ using OpenMP for mutli-threading and the Phi runtimes decreased to 1.67 times that of the host Linux server. Data transfer from the host to co-processor card was found to be a rate-limiting step; this needs to be carefully considered in order to maximize runtime speeds. When considering the purchase price of a Linux workstation with Xeon Phi co-processor card and top of the range Linux server, the former is a cost-effective computation resource for list-mode image reconstruction. A multi-Phi workstation could be a viable alternative to cluster computers at a lower cost for medical imaging applications.

Numerical Aspects of Nonhydrostatic Implementations Applied to a Parallel Finite Element Tsunami Model

NASA Astrophysics Data System (ADS)

Fuchs, A.; Androsov, A.; Harig, S.; Hiller, W.; Rakowsky, N.

2012-04-01

Based on the jeopardy of devastating tsunamis and the unpredictability of such events, tsunami modelling as part of warning systems is still a contemporary topic. The tsunami group of Alfred Wegener Institute developed the simulation tool TsunAWI as contribution to the Early Warning System in Indonesia. Although the precomputed scenarios for this purpose qualify for satisfying deliverables, the study of further improvements continues. While TsunAWI is governed by the Shallow Water Equations, an extension of the model is based on a nonhydrostatic approach. At the arrival of a tsunami wave in coastal regions with rough bathymetry, the term containing the nonhydrostatic part of pressure, that is neglected in the original hydrostatic model, gains in importance. In consideration of this term, a better approximation of the wave is expected. Differences of hydrostatic and nonhydrostatic model results are contrasted in the standard benchmark problem of a solitary wave runup on a plane beach. The observation data provided by Titov and Synolakis (1995) serves as reference. The nonhydrostatic approach implies a set of equations that are similar to the Shallow Water Equations, so the variation of the code can be implemented on top. However, this additional routines cause a lot of issues you have to cope with. So far the computations of the model were purely explicit. In the nonhydrostatic version the determination of an additional unknown and the solution of a large sparse system of linear equations is necessary. The latter constitutes the lion's share of computing time and memory requirement. Since the corresponding matrix is only symmetric in structure and not in values, an iterative Krylov Subspace Method is used, in particular the restarted Generalized Minimal Residual Algorithm GMRES(m). With regard to optimization, we present a comparison of several combinations of sequential and parallel preconditioning techniques respective number of iterations and setup/application time. Since the used software package pARMS 3.2, that provides solving and preconditioning techniques, works via MPI parallelism, in an auxiliary branch we adapted TsunAWI and switched from OpenMP to MPI with attached importance to internal partition management.

PhysiCell: An open source physics-based cell simulator for 3-D multicellular systems

PubMed Central

Ghaffarizadeh, Ahmadreza; Mumenthaler, Shannon M.

2018-01-01

Many multicellular systems problems can only be understood by studying how cells move, grow, divide, interact, and die. Tissue-scale dynamics emerge from systems of many interacting cells as they respond to and influence their microenvironment. The ideal “virtual laboratory” for such multicellular systems simulates both the biochemical microenvironment (the “stage”) and many mechanically and biochemically interacting cells (the “players” upon the stage). PhysiCell—physics-based multicellular simulator—is an open source agent-based simulator that provides both the stage and the players for studying many interacting cells in dynamic tissue microenvironments. It builds upon a multi-substrate biotransport solver to link cell phenotype to multiple diffusing substrates and signaling factors. It includes biologically-driven sub-models for cell cycling, apoptosis, necrosis, solid and fluid volume changes, mechanics, and motility “out of the box.” The C++ code has minimal dependencies, making it simple to maintain and deploy across platforms. PhysiCell has been parallelized with OpenMP, and its performance scales linearly with the number of cells. Simulations up to 105-106 cells are feasible on quad-core desktop workstations; larger simulations are attainable on single HPC compute nodes. We demonstrate PhysiCell by simulating the impact of necrotic core biomechanics, 3-D geometry, and stochasticity on the dynamics of hanging drop tumor spheroids and ductal carcinoma in situ (DCIS) of the breast. We demonstrate stochastic motility, chemical and contact-based interaction of multiple cell types, and the extensibility of PhysiCell with examples in synthetic multicellular systems (a “cellular cargo delivery” system, with application to anti-cancer treatments), cancer heterogeneity, and cancer immunology. PhysiCell is a powerful multicellular systems simulator that will be continually improved with new capabilities and performance improvements. It also represents a significant independent code base for replicating results from other simulation platforms. The PhysiCell source code, examples, documentation, and support are available under the BSD license at http://PhysiCell.MathCancer.org and http://PhysiCell.sf.net. PMID:29474446

NUTS and BOLTS: Applications of Fluorescence Detected Sedimentation

PubMed Central

Kroe, Rachel R.; Laue, Thomas M.

2008-01-01

Analytical ultracentrifugation is a widely used method for characterizing the solution behavior of macromolecules. However, the two commonly used detectors (absorbance and interference) impose some fundamental restrictions on the concentrations and complexity of the solutions that can be analyzed. The recent addition of a fluorescence detector for the XL-I analytical ultracentrifuge (AU-FDS) enables two different types of sedimentation experiments. First, the AU-FDS can detect picomolar concentrations of labeled solutes allowing the characterization of very dilute solutions of macromolecules, applications we call Normal Use Tracer Sedimentation (NUTS). The great sensitivity of NUTS analysis allows the characterization of small quantities of materials and high affinity interactions. Second, AU-FDS allows characterization of trace quantities of labeled molecules in solutions containing high concentrations and complex mixtures of unlabeled molecules, applications we call Biological On Line Tracer Sedimentation (BOLTS). The discrimination of BOLTS enables the size distribution of a labeled macromolecule to be determined in biological milieu such as cell lysates and serum. Examples are presented that embody features of both NUTS and BOLTS applications, along with our observations on these applications. PMID:19103145

Capillary electrophoresis application in metal speciation and complexation characterization

USDA-ARS?s Scientific Manuscript database

Capillary electrophoresis is amenable to the separation of metal ionic species and the characterization of metal-ligand interactions. This book chapter reviews and discusses three representative case studies in applications of CE technology in speciation and reactions of metal with organic molecules...

40 CFR 761.260 - Applicability.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.260 Applicability. This subpart provides a method for collecting new data for characterizing a PCB remediation waste...

40 CFR 761.260 - Applicability.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.260 Applicability. This subpart provides a method for collecting new data for characterizing a PCB remediation waste...

40 CFR 761.260 - Applicability.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.260 Applicability. This subpart provides a method for collecting new data for characterizing a PCB remediation waste...

40 CFR 761.260 - Applicability.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... Site Characterization Sampling for PCB Remediation Waste in Accordance with § 761.61(a)(2) § 761.260 Applicability. This subpart provides a method for collecting new data for characterizing a PCB remediation waste...

Design and implementation of handheld and desktop software for the structured reporting of hepatic masses using the LI-RADS schema.

PubMed

Clark, Toshimasa J; McNeeley, Michael F; Maki, Jeffrey H

2014-04-01

The Liver Imaging Reporting and Data System (LI-RADS) can enhance communication between radiologists and clinicians if applied consistently. We identified an institutional need to improve liver imaging report standardization and developed handheld and desktop software to serve this purpose. We developed two complementary applications that implement the LI-RADS schema. A mobile application for iOS devices written in the Objective-C language allows for rapid characterization of hepatic observations under a variety of circumstances. A desktop application written in the Java language allows for comprehensive observation characterization and standardized report text generation. We chose the applications' languages and feature sets based on the computing resources of target platforms, anticipated usage scenarios, and ease of application installation, deployment, and updating. Our primary results are the publication of the core source code implementing the LI-RADS algorithm and the availability of the applications for use worldwide via our website, http://www.liradsapp.com/. The Java application is free open-source software that can be integrated into nearly any vendor's reporting system. The iOS application is distributed through Apple's iTunes App Store. Observation categorizations of both programs have been manually validated to be correct. The iOS application has been used to characterize liver tumors during multidisciplinary conferences of our institution, and several faculty members, fellows, and residents have adopted the generated text of Java application into their diagnostic reports. Although these two applications were developed for the specific reporting requirements of our liver tumor service, we intend to apply this development model to other diseases as well. Through semiautomated structured report generation and observation characterization, we aim to improve patient care while increasing radiologist efficiency. Published by Elsevier Inc.

Linear polarizer local characterizations by polarimetric imaging for applications to polarimetric sensors for torque measurement for hybrid cars

NASA Astrophysics Data System (ADS)

Georges, F.; Remouche, M.; Meyrueis, P.

2011-06-01

Usually manufacturer's specifications do not deal with the ability of linear sheet polarizers to have a constant transmittance function over their geometric area. These parameters are fundamental for developing low cost polarimetric sensors(for instance rotation, torque, displacement) specifically for hybrid car (thermic + electricity power). It is then necessary to specially characterize commercial polarizers sheets to find if they are adapted to this kind of applications. In this paper, we present measuring methods and bench developed for this purpose, and some preliminary characterization results. We state conclusions for effective applications to hybrid car gearbox control and monitoring.

Application of metamaterial concepts to sensors and chipless RFID

NASA Astrophysics Data System (ADS)

Martín, F.; Herrojo, C.; Vélez, P.; Su, L.; Mata-Contreras, J.; Paredes, F.

2018-02-01

Several strategies for the implementation of microwave sensors based on the use of metamaterial-inspired resonators are pointed out, and examples of applications, including sensors for dielectric characterization and sensors for the measurement of spatial variables, are provided. It will be also shown that novel microwave encoders for chipless RFID systems with very high data capacity can be implemented. The fields of applications of the devices discussed in this talk include dielectric characterization of solids and liquids, angular velocity sensors for space applications, and near-field chipless RFID systems for secure paper applications, among others.

Thyroid tissue constituents characterization and application to in vivo studies by broadband (600-1200 nm) diffuse optical spectroscopy

NASA Astrophysics Data System (ADS)

Konugolu Venkata Sekar, Sanathana; Farina, Andrea; dalla Mora, Alberto; Taroni, Paola; Lindner, Claus; Mora, Mireia; Farzam, Parisa; Pagliazzi, Marco; Squarcia, Mattia; Halperin, Irene; Hanzu, Felicia A.; Dehghani, Hamid; Durduran, Turgut; Pifferi, Antonio

2017-07-01

We present the first broadband (600-1100 nm) diffuse optical characterization of thyroglobulin and tyrosine, which are thyroid-specific tissue constituents. In-vivo measurements at the thyroid region enabled their quantification for functional and diagnostic applications.

Physico-chemical characterization of functionalized polypropylenic fibers for prosthetic applications

NASA Astrophysics Data System (ADS)

Nisticò, Roberto; Faga, Maria Giulia; Gautier, Giovanna; Magnacca, Giuliana; D'Angelo, Domenico; Ciancio, Emanuele; Piacenza, Giacomo; Lamberti, Roberta; Martorana, Selanna

2012-08-01

Polypropylene (PP) fibers can be manufactured to form nets which can find application as prosthesis in hernioplasty. One of the most important problem to deal with when nets are applied in vivo consists in the reproduction of bacteria within the net fibers intersections. This occurs right after the application of the prosthesis, and causes infections, thus it is fundamental to remove bacteria in the very early stage of the nets application. This paper deals with the physico-chemical characterization of such nets, pre-treated by atmospheric pressure plasma dielectric barrier discharge apparatus (APP-DBD) and functionalized with an antibiotic drug such as chitosan. The physico-chemical characterization of sterilized nets, before and after the functionalization with chitosan, was carried out by means of scanning electron microscopy (SEM) coupled with EDS spectroscopy, FTIR spectroscopy, drop shape analysis (DSA), X-ray diffraction and thermal analyses (TGA and DSC). The aim of the work is to individuate a good strategy to characterize this kind of materials, to understand the effects of polypropylene pre-treatment on functionalization efficiency, to follow the materials ageing in order to study the effects of the surface treatment for in vivo applications.

Energy technology characterizations handbook: environmental pollution and control factors. Third edition

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

Not Available

1983-03-01

This Handbook deals with environmental characterization information for a range of energy-supply systems and provides supplementary information on environmental controls applicable to a select group of environmentally characterized energy systems. Environmental residuals, physical-resource requirements, and discussion of applicable standards are the principal information provided. The quantitative and qualitative data provided are useful for evaluating alternative policy and technical strategies and for assessing the environmental impact of facility siting, energy production, and environmental controls.

Efficient in-situ visualization of unsteady flows in climate simulation

NASA Astrophysics Data System (ADS)

Vetter, Michael; Olbrich, Stephan

2017-04-01

The simulation of climate data tends to produce very large data sets, which hardly can be processed in classical post-processing visualization applications. Typically, the visualization pipeline consisting of the processes data generation, visualization mapping and rendering is distributed into two parts over the network or separated via file transfer. Within most traditional post-processing scenarios the simulation is done on a supercomputer whereas the data analysis and visualization is done on a graphics workstation. That way temporary data sets with huge volume have to be transferred over the network, which leads to bandwidth bottlenecks and volume limitations. The solution to this issue is the avoidance of temporary storage, or at least significant reduction of data complexity. Within the Climate Visualization Lab - as part of the Cluster of Excellence "Integrated Climate System Analysis and Prediction" (CliSAP) at the University of Hamburg, in cooperation with the German Climate Computing Center (DKRZ) - we develop and integrate an in-situ approach. Our software framework DSVR is based on the separation of the process chain between the mapping and the rendering processes. It couples the mapping process directly to the simulation by calling methods of a parallelized data extraction library, which create a time-based sequence of geometric 3D scenes. This sequence is stored on a special streaming server with an interactive post-filtering option and then played-out asynchronously in a separate 3D viewer application. Since the rendering is part of this viewer application, the scenes can be navigated interactively. In contrast to other in-situ approaches where 2D images are created as part of the simulation or synchronous co-visualization takes place, our method supports interaction in 3D space and in time, as well as fixed frame rates. To integrate in-situ processing based on our DSVR framework and methods in the ICON climate model, we are continuously evolving the data structures and mapping algorithms of the framework to support the ICON model's native grid structures, since DSVR originally was designed for rectilinear grids only. We now have implemented a new output module to ICON to take advantage of the DSVR visualization. The visualization can be configured as most output modules by using a specific namelist and is exemplarily integrated within the non-hydrostatic atmospheric model time loop. With the integration of a DSVR based in-situ pathline extraction within ICON, a further milestone is reached. The pathline algorithm as well as the grid data structures have been optimized for the domain decomposition used for the parallelization of ICON based on MPI and OpenMP. The software implementation and evaluation is done on the supercomputers at DKRZ. In principle, the data complexity is reduced from O(n3) to O(m), where n is the grid resolution and m the number of supporting point of all pathlines. The stability and scalability evaluation is done using Atmospheric Model Intercomparison Project (AMIP) runs. We will give a short introduction in our software framework, as well as a short overview on the implementation and usage of DSVR within ICON. Furthermore, we will present visualization and evaluation results of sample applications.

Resistance to abrasion of extrinsic porcelain esthetic characterization techniques.

PubMed

Chi, Woo J; Browning, William; Looney, Stephen; Mackert, J Rodway; Windhorn, Richard J; Rueggeberg, Frederick

2017-01-01

A novel esthetic porcelain characterization technique involves mixing an appropriate amount of ceramic colorants with clear, low-fusing porcelain (LFP), applying the mixture on the external surfaces, and firing the combined components onto the surface of restorations in a porcelain oven. This method may provide better esthetic qualities and toothbrush abrasion resistance compared to the conventional techniques of applying color-corrective porcelain colorants alone, or applying a clear glaze layer over the colorants. However, there is no scientific literature to support this claim. This research evaluated toothbrush abrasion resistance of a novel porcelain esthetic characterization technique by subjecting specimens to various durations of simulated toothbrush abrasion. The results were compared to those obtained using the conventional characterization techniques of colorant application only or colorant followed by placement of a clear over-glaze. Four experimental groups, all of which were a leucite reinforced ceramic of E TC1 (Vita A1) shade, were prepared and fired in a porcelain oven according to the manufacturer's instructions. Group S (stain only) was characterized by application of surface colorants to provide a definitive shade of Vita A3.5. Group GS (glaze over stain) was characterized by application of a layer of glaze over the existing colorant layer as used for Group S. Group SL (stain+LFP) was characterized by application of a mixture of colorants and clear low-fusing add-on porcelain to provide a definitive shade of Vita A3.5. Group C (Control) was used as a control without any surface characterization. The 4 groups were subjected to mechanical toothbrushing using a 1:1 water-to-toothpaste solution for a simulated duration of 32 years of clinical use. The amount of wear was measured at time intervals simulating every 4 years of toothbrushing. These parameters were evaluated longitudinally for all groups as well as compared at similar time points among groups. In this study, the novel external characterization technique (stain+LFP: Group SL) did not significantly enhance the wear resistance against toothbrush abrasion. Instead, the average wear of the applied extrinsic porcelain was 2 to 3 times more than Group S (stain only) and Group GS (glaze over stain). Application of a glaze layer over the colorants (Group GS) showed a significant improvement on wear resistance. Despite its superior physical properties, the leucite reinforced ceramic core (Group C) showed 2 to 4 times more wear when compared with other test groups. A conventional external esthetic characterization technique of applying a glaze layer over the colorants (Group GS) significantly enhanced the surface wear resistance to toothbrush abrasion when compared with other techniques involving application of colorants only (Group S) or mixture of colorant and LFP (Group SL). The underlying core ceramic had significantly less wear resistance compared with all externally characterized specimens. The novel esthetic characterization technique showed more wear and less color stability, and is thus not advocated as the "best" method for surface characterization. Application of a glaze layer provides a more wear-resistant surface from toothbrush abrasion when adjusting or extrinsically characterizing leucite reinforced ceramic restorations. Without the glaze layer, the restoration is subjected to a 2 to 4 times faster rate and amount of wear leading to possible shade mismatch.

Nanoparticle surface characterization and clustering through concentration-dependent surface adsorption modeling.

PubMed

Chen, Ran; Zhang, Yuntao; Sahneh, Faryad Darabi; Scoglio, Caterina M; Wohlleben, Wendel; Haase, Andrea; Monteiro-Riviere, Nancy A; Riviere, Jim E

2014-09-23

Quantitative characterization of nanoparticle interactions with their surrounding environment is vital for safe nanotechnological development and standardization. A recent quantitative measure, the biological surface adsorption index (BSAI), has demonstrated promising applications in nanomaterial surface characterization and biological/environmental prediction. This paper further advances the approach beyond the application of five descriptors in the original BSAI to address the concentration dependence of the descriptors, enabling better prediction of the adsorption profile and more accurate categorization of nanomaterials based on their surface properties. Statistical analysis on the obtained adsorption data was performed based on three different models: the original BSAI, a concentration-dependent polynomial model, and an infinite dilution model. These advancements in BSAI modeling showed a promising development in the application of quantitative predictive modeling in biological applications, nanomedicine, and environmental safety assessment of nanomaterials.

Ultrathin Ferroelectric Films: Growth, Characterization, Physics and Applications.

PubMed

Wang, Ying; Chen, Weijin; Wang, Biao; Zheng, Yue

2014-09-11

Ultrathin ferroelectric films are of increasing interests these years, owing to the need of device miniaturization and their wide spectrum of appealing properties. Recent advanced deposition methods and characterization techniques have largely broadened the scope of experimental researches of ultrathin ferroelectric films, pushing intensive property study and promising device applications. This review aims to cover state-of-the-art experimental works of ultrathin ferroelectric films, with a comprehensive survey of growth methods, characterization techniques, important phenomena and properties, as well as device applications. The strongest emphasis is on those aspects intimately related to the unique phenomena and physics of ultrathin ferroelectric films. Prospects and challenges of this field also have been highlighted.

Ultrathin Ferroelectric Films: Growth, Characterization, Physics and Applications

PubMed Central

Wang, Ying; Chen, Weijin; Wang, Biao; Zheng, Yue

2014-01-01

Ultrathin ferroelectric films are of increasing interests these years, owing to the need of device miniaturization and their wide spectrum of appealing properties. Recent advanced deposition methods and characterization techniques have largely broadened the scope of experimental researches of ultrathin ferroelectric films, pushing intensive property study and promising device applications. This review aims to cover state-of-the-art experimental works of ultrathin ferroelectric films, with a comprehensive survey of growth methods, characterization techniques, important phenomena and properties, as well as device applications. The strongest emphasis is on those aspects intimately related to the unique phenomena and physics of ultrathin ferroelectric films. Prospects and challenges of this field also have been highlighted. PMID:28788196

Cpu/gpu Computing for AN Implicit Multi-Block Compressible Navier-Stokes Solver on Heterogeneous Platform

NASA Astrophysics Data System (ADS)

Deng, Liang; Bai, Hanli; Wang, Fang; Xu, Qingxin

2016-06-01

CPU/GPU computing allows scientists to tremendously accelerate their numerical codes. In this paper, we port and optimize a double precision alternating direction implicit (ADI) solver for three-dimensional compressible Navier-Stokes equations from our in-house Computational Fluid Dynamics (CFD) software on heterogeneous platform. First, we implement a full GPU version of the ADI solver to remove a lot of redundant data transfers between CPU and GPU, and then design two fine-grain schemes, namely “one-thread-one-point” and “one-thread-one-line”, to maximize the performance. Second, we present a dual-level parallelization scheme using the CPU/GPU collaborative model to exploit the computational resources of both multi-core CPUs and many-core GPUs within the heterogeneous platform. Finally, considering the fact that memory on a single node becomes inadequate when the simulation size grows, we present a tri-level hybrid programming pattern MPI-OpenMP-CUDA that merges fine-grain parallelism using OpenMP and CUDA threads with coarse-grain parallelism using MPI for inter-node communication. We also propose a strategy to overlap the computation with communication using the advanced features of CUDA and MPI programming. We obtain speedups of 6.0 for the ADI solver on one Tesla M2050 GPU in contrast to two Xeon X5670 CPUs. Scalability tests show that our implementation can offer significant performance improvement on heterogeneous platform.

Parallel, Distributed Scripting with Python

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

Miller, P J

2002-05-24

Parallel computers used to be, for the most part, one-of-a-kind systems which were extremely difficult to program portably. With SMP architectures, the advent of the POSIX thread API and OpenMP gave developers ways to portably exploit on-the-box shared memory parallelism. Since these architectures didn't scale cost-effectively, distributed memory clusters were developed. The associated MPI message passing libraries gave these systems a portable paradigm too. Having programmers effectively use this paradigm is a somewhat different question. Distributed data has to be explicitly transported via the messaging system in order for it to be useful. In high level languages, the MPI librarymore » gives access to data distribution routines in C, C++, and FORTRAN. But we need more than that. Many reasonable and common tasks are best done in (or as extensions to) scripting languages. Consider sysadm tools such as password crackers, file purgers, etc ... These are simple to write in a scripting language such as Python (an open source, portable, and freely available interpreter). But these tasks beg to be done in parallel. Consider the a password checker that checks an encrypted password against a 25,000 word dictionary. This can take around 10 seconds in Python (6 seconds in C). It is trivial to parallelize if you can distribute the information and co-ordinate the work.« less

LFRic: Building a new Unified Model

NASA Astrophysics Data System (ADS)

Melvin, Thomas; Mullerworth, Steve; Ford, Rupert; Maynard, Chris; Hobson, Mike

2017-04-01

The LFRic project, named for Lewis Fry Richardson, aims to develop a replacement for the Met Office Unified Model in order to meet the challenges which will be presented by the next generation of exascale supercomputers. This project, a collaboration between the Met Office, STFC Daresbury and the University of Manchester, builds on the earlier GungHo project to redesign the dynamical core, in partnership with NERC. The new atmospheric model aims to retain the performance of the current ENDGame dynamical core and associated subgrid physics, while also enabling a far greater scalability and flexibility to accommodate future supercomputer architectures. Design of the model revolves around a principle of a 'separation of concerns', whereby the natural science aspects of the code can be developed without worrying about the underlying architecture, while machine dependent optimisations can be carried out at a high level. These principles are put into practice through the development of an autogenerated Parallel Systems software layer (known as the PSy layer) using a domain-specific compiler called PSyclone. The prototype model includes a re-write of the dynamical core using a mixed finite element method, in which different function spaces are used to represent the various fields. It is able to run in parallel with MPI and OpenMP and has been tested on over 200,000 cores. In this talk an overview of the both the natural science and computational science implementations of the model will be presented.

Bayer image parallel decoding based on GPU

NASA Astrophysics Data System (ADS)

Hu, Rihui; Xu, Zhiyong; Wei, Yuxing; Sun, Shaohua

2012-11-01

In the photoelectrical tracking system, Bayer image is decompressed in traditional method, which is CPU-based. However, it is too slow when the images become large, for example, 2K×2K×16bit. In order to accelerate the Bayer image decoding, this paper introduces a parallel speedup method for NVIDA's Graphics Processor Unit (GPU) which supports CUDA architecture. The decoding procedure can be divided into three parts: the first is serial part, the second is task-parallelism part, and the last is data-parallelism part including inverse quantization, inverse discrete wavelet transform (IDWT) as well as image post-processing part. For reducing the execution time, the task-parallelism part is optimized by OpenMP techniques. The data-parallelism part could advance its efficiency through executing on the GPU as CUDA parallel program. The optimization techniques include instruction optimization, shared memory access optimization, the access memory coalesced optimization and texture memory optimization. In particular, it can significantly speed up the IDWT by rewriting the 2D (Tow-dimensional) serial IDWT into 1D parallel IDWT. Through experimenting with 1K×1K×16bit Bayer image, data-parallelism part is 10 more times faster than CPU-based implementation. Finally, a CPU+GPU heterogeneous decompression system was designed. The experimental result shows that it could achieve 3 to 5 times speed increase compared to the CPU serial method.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Stochastic coalescence in finite systems: an algorithm for the numerical solution of the multivariate master equation.

NASA Astrophysics Data System (ADS)

Alfonso, Lester; Zamora, Jose; Cruz, Pedro

2015-04-01

The stochastic approach to coagulation considers the coalescence process going in a system of a finite number of particles enclosed in a finite volume. Within this approach, the full description of the system can be obtained from the solution of the multivariate master equation, which models the evolution of the probability distribution of the state vector for the number of particles of a given mass. Unfortunately, due to its complexity, only limited results were obtained for certain type of kernels and monodisperse initial conditions. In this work, a novel numerical algorithm for the solution of the multivariate master equation for stochastic coalescence that works for any type of kernels and initial conditions is introduced. The performance of the method was checked by comparing the numerically calculated particle mass spectrum with analytical solutions obtained for the constant and sum kernels, with an excellent correspondence between the analytical and numerical solutions. In order to increase the speedup of the algorithm, software parallelization techniques with OpenMP standard were used, along with an implementation in order to take advantage of new accelerator technologies. Simulations results show an important speedup of the parallelized algorithms. This study was funded by a grant from Consejo Nacional de Ciencia y Tecnologia de Mexico SEP-CONACYT CB-131879. The authors also thanks LUFAC® Computacion SA de CV for CPU time and all the support provided.

Investigation of obstacle effect to improve conjugate heat transfer in backward facing step channel using fast simulation of incompressible flow

NASA Astrophysics Data System (ADS)

Nouri-Borujerdi, Ali; Moazezi, Arash

2018-01-01

The current study investigates the conjugate heat transfer characteristics for laminar flow in backward facing step channel. All of the channel walls are insulated except the lower thick wall under a constant temperature. The upper wall includes a insulated obstacle perpendicular to flow direction. The effect of obstacle height and location on the fluid flow and heat transfer are numerically explored for the Reynolds number in the range of 10 ≤ Re ≤ 300. Incompressible Navier-Stokes and thermal energy equations are solved simultaneously in fluid region by the upwind compact finite difference scheme based on flux-difference splitting in conjunction with artificial compressibility method. In the thick wall, the energy equation is obtained by Laplace equation. A multi-block approach is used to perform parallel computing to reduce the CPU time. Each block is modeled separately by sharing boundary conditions with neighbors. The developed program for modeling was written in FORTRAN language with OpenMP API. The obtained results showed that using of the multi-block parallel computing method is a simple robust scheme with high performance and high-order accurate. Moreover, the obtained results demonstrated that the increment of Reynolds number and obstacle height as well as decrement of horizontal distance between the obstacle and the step improve the heat transfer.

Efficient Thread Labeling for Monitoring Programs with Nested Parallelism

NASA Astrophysics Data System (ADS)

Ha, Ok-Kyoon; Kim, Sun-Sook; Jun, Yong-Kee

It is difficult and cumbersome to detect data races occurred in an execution of parallel programs. Any on-the-fly race detection techniques using Lamport's happened-before relation needs a thread labeling scheme for generating unique identifiers which maintain logical concurrency information for the parallel threads. NR labeling is an efficient thread labeling scheme for the fork-join program model with nested parallelism, because its efficiency depends only on the nesting depth for every fork and join operation. This paper presents an improved NR labeling, called e-NR labeling, in which every thread generates its label by inheriting the pointer to its ancestor list from the parent threads or by updating the pointer in a constant amount of time and space. This labeling is more efficient than the NR labeling, because its efficiency does not depend on the nesting depth for every fork and join operation. Some experiments were performed with OpenMP programs having nesting depths of three or four and maximum parallelisms varying from 10,000 to 1,000,000. The results show that e-NR is 5 times faster than NR labeling and 4.3 times faster than OS labeling in the average time for creating and maintaining the thread labels. In average space required for labeling, it is 3.5 times smaller than NR labeling and 3 times smaller than OS labeling.

OpenRBC: Redefining the Frontier of Red Blood Cell Simulations at Protein Resolution

NASA Astrophysics Data System (ADS)

Tang, Yu-Hang; Lu, Lu; Li, He; Grinberg, Leopold; Sachdeva, Vipin; Evangelinos, Constantinos; Karniadakis, George

We present a from-scratch development of OpenRBC, a coarse-grained molecular dynamics code, which is capable of performing an unprecedented in silico experiment - simulating an entire mammal red blood cell lipid bilayer and cytoskeleton modeled by 4 million mesoscopic particles - on a single shared memory node. To achieve this, we invented an adaptive spatial searching algorithm to accelerate the computation of short-range pairwise interactions in an extremely sparse 3D space. The algorithm is based on a Voronoi partitioning of the point cloud of coarse-grained particles, and is continuously updated over the course of the simulation. The algorithm enables the construction of a lattice-free cell list, i.e. the key spatial searching data structure in our code, in O (N) time and space space with cells whose position and shape adapts automatically to the local density and curvature. The code implements NUMA/NUCA-aware OpenMP parallelization and achieves perfect scaling with up to hundreds of hardware threads. The code outperforms a legacy solver by more than 8 times in time-to-solution and more than 20 times in problem size, thus providing a new venue for probing the cytomechanics of red blood cells. This work was supported by the Department of Energy (DOE) Collaboratory on Mathematics for Mesoscopic Model- ing of Materials (CM4). YHT acknowledges partial financial support from an IBM Ph.D. Scholarship Award.

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

NASA Astrophysics Data System (ADS)

Kjærgaard, Thomas; Baudin, Pablo; Bykov, Dmytro; Eriksen, Janus Juul; Ettenhuber, Patrick; Kristensen, Kasper; Larkin, Jeff; Liakh, Dmitry; Pawłowski, Filip; Vose, Aaron; Wang, Yang Min; Jørgensen, Poul

2017-03-01

We present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide-Expand-Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide-Expand-Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalability of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the "resolution of the identity second-order Møller-Plesset perturbation theory" (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.

Reasoning Maps: A Generally Applicable Method for Characterizing Hypothesis-Testing Behaviour. Research Report

ERIC Educational Resources Information Center

White, Brian

2004-01-01

This paper presents a generally applicable method for characterizing subjects' hypothesis-testing behaviour based on a synthesis that extends on previous work. Beginning with a transcript of subjects' speech and videotape of their actions, a Reasoning Map is created that depicts the flow of their hypotheses, tests, predictions, results, and…

Dual-energy CT revisited with multidetector CT: review of principles and clinical applications.

PubMed

Karçaaltıncaba, Muşturay; Aktaş, Aykut

2011-09-01

Although dual-energy CT (DECT) was first conceived in the 1970s, it was not widely used for CT indications. Recently, the simultaneous acquisition of volumetric dual-energy data has been introduced using multidetector CT (MDCT) with two X-ray tubes and rapid kVp switching (gemstone spectral imaging). Two major advantages of DECT are material decomposition by acquiring two image series with different kVp and the elimination of misregistration artifacts. Hounsfield unit measurements by DECT are not absolute and can change depending on the kVp used for an acquisition. Typically, a combination of 80/140 kVp is used for DECT, but for some applications, 100/140 kVp is preferred. In this study, we summarized the clinical applications of DECT and included images that were acquired using the dual-source CT and rapid kVp switching. In general, unenhanced images can be avoided by using DECT for body and neurological applications; iodine can be removed from the image, and a virtual, non-contrast (water) image can be obtained. Neuroradiological applications allow for the removal of bone and calcium from the carotid and brain CT angiography. Thorax applications include perfusion imaging in patients with pulmonary thromboemboli and other chest diseases, xenon ventilation-perfusion imaging and solitary nodule characterization. Cardiac applications include dual-energy cardiac perfusion, viability and cardiac iron detection. The removal of calcific plaques from arteries, bone removal and aortic stent graft evaluation may be achieved in the vascular system. Abdominal applications include the detection and characterization of liver and pancreas masses, the diagnosis of steatosis and iron overload, DECT colonoscopy and CT cholangiography. Urinary system applications are urinary calculi characterization (uric acid vs. non-uric acid), renal cyst characterization and mass characterization. Musculoskeletal applications permit the differentiation of gout from pseudogout and a reduction of metal artifacts. Recent introduction of iterative reconstruction techniques can increase the use of DECT techniques; the use of dual energy in patients with a high BMI is limited due to noise and the radiation dose. DECT may be a good alternative to PET-CT. Iodine map images can quantify iodine uptake, and this approach may be more effective than obtaining non-contrast and post-contrast images for the diagnosis of a solid mass. Thus, computer-aided detection may be used more effectively in CT applications. DECT is a promising technique with potential clinical applications.

Space Software Defined Radio Characterization to Enable Reuse

NASA Technical Reports Server (NTRS)

Mortensen, Dale J.; Bishop, Daniel W.; Chelmins, David

2012-01-01

NASA's Space Communication and Navigation Testbed is beginning operations on the International Space Station this year. The objective is to promote new software defined radio technologies and associated software application reuse, enabled by this first flight of NASA's Space Telecommunications Radio System architecture standard. The Space Station payload has three software defined radios onboard that allow for a wide variety of communications applications; however, each radio was only launched with one waveform application. By design the testbed allows new waveform applications to be uploaded and tested by experimenters in and outside of NASA. During the system integration phase of the testbed special waveform test modes and stand-alone test waveforms were used to characterize the SDR platforms for the future experiments. Characterization of the Testbed's JPL SDR using test waveforms and specialized ground test modes is discussed in this paper. One of the test waveforms, a record and playback application, can be utilized in a variety of ways, including new satellite on-orbit checkout as well as independent on-board testbed experiments.

Characterization of interdigitated electrode piezoelectric fiber composites under high electrical and mechanical loading

NASA Astrophysics Data System (ADS)

Rodgers, John P.; Bent, Aaron A.; Hagood, Nesbitt W.

1996-05-01

The primary objective of this work is to develop a standard methodology for characterizing structural actuation systems intended for operation in high electrical and mechanical loading environments. The designed set of tests evaluates the performance of the active materials system under realistic operating conditions. The tests are also used to characterize piezoelectric fiber composites which have been developed as an alternative to monolithic piezoceramic wafers for structural actuation applications. The performance of this actuator system has been improved using an interdigitated electrode pattern, which orients the primary component of the electric field into the plane of the structure, enabling the use of the primary piezoelectric effect along the active fibers. One possible application of this technology is in the integral twist actuation of helicopter rotor blades for higher harmonic control. This application requires actuators which can withstand the harsh rotor blade operating environment. This includes large numbers of electrical and mechanical cycles with considerable centripetal and bending loads. The characterization tests include standard active material tests as well as application-driven tests which evaluate the performance of the actuators during simulated operation. Test results for several actuator configurations are provided, including S2 glass- reinforced and E-glass laminated actuators. The study concludes that the interdigitated electrode piezoelectric fiber composite actuator has great potential for high loading applications.

Regionalization of land use impact models for life cycle assessment: Recommendations for their use on the global scale and their applicability to Brazil

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

Pavan, Ana Laura Raymundo, E-mail: laurarpavan@gmail.com; Ometto, Aldo Roberto; Department of Production Engineering, São Carlos School of Engineering, University of São Paulo, Av. Trabalhador São-Carlense 400, São Carlos 13566-590, SP

Life Cycle Assessment (LCA) is the main technique for evaluate the environmental impacts of product life cycles. A major challenge in the field of LCA is spatial and temporal differentiation in Life Cycle Impact Assessment (LCIA) methods, especially impacts resulting from land occupation and land transformation. Land use characterization modeling has advanced considerably over the last two decades and many approaches have recently included crucial aspects such as geographic differentiation. Nevertheless, characterization models have so far not been systematically reviewed and evaluated to determine their applicability to South America. Given that Brazil is the largest country in South America, thismore » paper analyzes the main international characterization models currently available in the literature, with a view to recommending regionalized models applicable on a global scale for land use life cycle impact assessments, and discusses their feasibility for regionalized assessment in Brazil. The analytical methodology involves classification based on the following criteria: midpoint/endpoint approach, scope of application, area of data collection, biogeographical differentiation, definition of recovery time and reference situation; followed by an evaluation of thirteen scientific robustness and environmental relevance subcriteria. The results of the scope of application are distributed among 25% of the models developed for the European context, and 50% have a global scope. There is no consensus in the literature about the definition of parameters such biogeographical differentiation and reference situation, and our review indicates that 35% of the models use ecoregion division while 40% use the concept of potential natural vegetation. Four characterization models show high scores in terms of scientific robustness and environmental relevance. These models are recommended for application in land use life cycle impact assessments, and also to serve as references for the development or adaptation of regional methodological procedures for Brazil. - Highlights: • A discussion is made on performing regionalized impact assessments using spatial differentiation in LCA. • A review is made of 20 characterization models for land use impacts in Life Cycle Impact Assessment. • Four characterization models are recommended according to different land use impact pathways for application in Brazil.« less

Intelligent signal analysis and recognition

NASA Technical Reports Server (NTRS)

Levinson, Robert; Helman, Daniel; Oswalt, Edward

1987-01-01

Progress in the research and development of self-organizing database system that can support the identification and characterization of signals in an RF environment is described. As the radio frequency spectrum becomes more crowded, there are a number of situations that require a characterization of the RF environment. This database system is designed to be practical in applications where communications and other instruments encounter a time varying and complex RF environment. The primary application of this system is the guidance and control of NASA's SETI Microwave Observing Project. Other possible applications include selection of telemety bands for communication with spacecraft, and the scheduling of antenna for radio astronomy are two examples where characterization of the RF environment is required. In these applications, the RF environment is constantly changing, and even experienced operators cannot quickly identify the multitude of signals that can be encountered. Some of these signals are repetitive, others appear to occur sporadically.

Characterization of in-swath spray deposition for CP-11TT flat-fan nozzles used in low volume aerial application of crop production and protection materials

USDA-ARS?s Scientific Manuscript database

For aerial application of crop production and protection materials, a complex interaction of controllable and uncontrollable factors is involved. It is difficult to completely characterize spray drift and deposition, but estimates can be made with appropriate sampling protocol and analysis. With c...

An application of geostatistics and fractal geometry for reservoir characterization

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

Aasum, Y.; Kelkar, M.G.; Gupta, S.P.

1991-03-01

This paper presents an application of geostatistics and fractal geometry concepts for 2D characterization of rock properties (k and {phi}) in a dolomitic, layered-cake reservoir. The results indicate that lack of closely spaced data yield effectively random distributions of properties. Further, incorporation of geology reduces uncertainties in fractal interpolation of wellbore properties.

A Video Game-Based Framework for Analyzing Human-Robot Interaction: Characterizing Interface Design in Real-Time Interactive Multimedia Applications

DTIC Science & Technology

2006-01-01

segments video game interaction into domain-independent components which together form a framework that can be used to characterize real-time interactive...multimedia applications in general and HRI in particular. We provide examples of using the components in both the video game and the Unmanned Aerial

Applications of capillary electrophoresis in characterizing recombinant protein therapeutics.

PubMed

Zhao, Shuai Sherry; Chen, David D Y

2014-01-01

The use of recombinant protein for therapeutic applications has increased significantly in the last three decades. The heterogeneity of these proteins, often caused by the complex biosynthesis pathways and the subsequent PTMs, poses a challenge for drug characterization to ensure its safety, quality, integrity, and efficacy. CE, with its simple instrumentation, superior separation efficiency, small sample consumption, and short analysis time, is a well-suited analytical tool for therapeutic protein characterization. Different separation modes, including CIEF, SDS-CGE, CZE, and CE-MS, provide complementary information of the proteins. The CE applications for recombinant therapeutic proteins from the year 2000 to June 2013 are reviewed and technical concerns are discussed in this article. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization and Emulsification Properties of Rhamnolipid and Sophorolipid Biosurfactants and Their Applications

PubMed Central

Nguyen, Thu T.; Sabatini, David A.

2011-01-01

Due to their non-toxic nature, biodegradability and production from renewable resources, research has shown an increasing interest in the use of biosurfactants in a wide variety of applications. This paper reviews the characterization of rhamnolipid and sophorolipid biosurfactants based on their hydrophilicity/hydrophobicity and their ability to form microemulsions with a range of oils without additives. The use of the biosurfactants in applications such as detergency and vegetable oil extraction for biodiesel application is also discussed. Rhamnolipid was found to be a hydrophilic surfactant while sophorolipid was found to be very hydrophobic. Therefore, rhamnolipid and sophorolipid biosurfactants in mixtures showed robust performance in these applications. PMID:21541055

High Performance Polymers and Composites (HiPPAC) Center

NASA Technical Reports Server (NTRS)

Mintz, Eric A.; Veazie, David

2005-01-01

NASA University Research Centers funding has allowed Clark Atlanta University (CAU) to establish a High Performance Polymers and Composites (HiPPAC) Research Center. Clark Atlanta University, through the HiPPAC Center has consolidated and expanded its polymer and composite research capabilities through the development of research efforts in: (1) Synthesis and characterization of polymeric NLO, photorefractive, and piezoelectric materials; (2) Characterization and engineering applications of induced strain smart materials; (3) Processable polyimides and additives to enhance polyimide processing for composite applications; (4) Fabrication and mechanical characterization of polymer based composites.

Semiconductor Characterization: from Growth to Manufacturing

NASA Astrophysics Data System (ADS)

Colombo, Luigi

The successful growth and/or deposition of materials for any application require basic understanding of the materials physics for a given device. At the beginning, the first and most obvious characterization tool is visual observation; this is particularly true for single crystal growth. The characterization tools are usually prioritized in order of ease of measurement, and have become especially sophisticated as we have moved from the characterization of macroscopic crystals and films to atomically thin materials and nanostructures. While a lot attention is devoted to characterization and understanding of materials physics at the nano level, the characterization of single crystals as substrates or active components is still critically important. In this presentation, I will review and discuss the basic materials characterization techniques used to get to the materials physics to bring crystals and thin films from research to manufacturing in the fields of infrared detection, non-volatile memories, and transistors. Finally I will present and discuss metrology techniques used to understand the physics and chemistry of atomically thin two-dimensional materials for future device applications.

Instruction-Level Characterization of Scientific Computing Applications Using Hardware Performance Counters

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

Luo, Y.; Cameron, K.W.

1998-11-24

Workload characterization has been proven an essential tool to architecture design and performance evaluation in both scientific and commercial computing areas. Traditional workload characterization techniques include FLOPS rate, cache miss ratios, CPI (cycles per instruction or IPC, instructions per cycle) etc. With the complexity of sophisticated modern superscalar microprocessors, these traditional characterization techniques are not powerful enough to pinpoint the performance bottleneck of an application on a specific microprocessor. They are also incapable of immediately demonstrating the potential performance benefit of any architectural or functional improvement in a new processor design. To solve these problems, many people rely on simulators,more » which have substantial constraints especially on large-scale scientific computing applications. This paper presents a new technique of characterizing applications at the instruction level using hardware performance counters. It has the advantage of collecting instruction-level characteristics in a few runs virtually without overhead or slowdown. A variety of instruction counts can be utilized to calculate some average abstract workload parameters corresponding to microprocessor pipelines or functional units. Based on the microprocessor architectural constraints and these calculated abstract parameters, the architectural performance bottleneck for a specific application can be estimated. In particular, the analysis results can provide some insight to the problem that only a small percentage of processor peak performance can be achieved even for many very cache-friendly codes. Meanwhile, the bottleneck estimation can provide suggestions about viable architectural/functional improvement for certain workloads. Eventually, these abstract parameters can lead to the creation of an analytical microprocessor pipeline model and memory hierarchy model.« less

Characterizations of biodegradable epoxy-coated cellulose nanofibrils (CNF) thin film for flexible microwave applications

Treesearch

Hongyi Mi; Chien-Hao Liu; Tzu-Husan Chang; Jung-Hun Seo; Huilong Zhang; Sang June Cho; Nader Behdad; Zhenqiang Ma; Chunhua Yao; Zhiyong Cai; Shaoqin Gong

2016-01-01

Wood pulp cellulose nanofibrils (CNF) thin film is a novel recyclable and biodegradable material. We investigated the microwave dielectric properties of the epoxy coated-CNF thin film for potential broad applications in flexible high speed electronics. The characterizations of dielectric properties were carried out in a frequency range of 1–10 GHz. The dielectric...

On-Wafer Characterization of Millimeter-Wave Antennas for Wireless Applications

NASA Technical Reports Server (NTRS)

Simons, Rainee N.; Lee, Richard Q.

1998-01-01

The paper demonstrates a de-embedding technique and a direct on-substrate measurement technique for fast and inexpensive characterization of miniature antennas for wireless applications at millimeter-wave frequencies. The technique is demonstrated by measurements on a tapered slot antenna (TSA). The measured results at Ka-Band frequencies include input impedance, mutual coupling between two TSAs and absolute gain of TSA.

Material characterization of active fiber composites for integral twist-actuated rotor blade application

NASA Astrophysics Data System (ADS)

Wickramasinghe, Viresh K.; Hagood, Nesbitt W.

2004-10-01

The primary objective of this work was to perform material characterization of the active fiber composite (AFC) actuator system for the Boeing active material rotor (AMR) blade application. The purpose of the AMR was to demonstrate active vibration control in helicopters through integral twist-actuation of the blade. The AFCs were a new structural actuator system consisting of piezoceramic fibers embedded in an epoxy matrix and sandwiched between interdigitated electrodes to enhance actuation performance. These conformable actuators were integrated directly into the blade spar laminate as active plies within the composite structure to perform structural control. Therefore, extensive electromechanical material characterization was required to evaluate AFCs both as actuators and as structural components of the blade. The characterization tests designed to extract important electromechanical properties under simulated blade operating conditions included nominal actuation tests, stress-strain tests and actuation under tensile load tests. This paper presents the test results as well as the comprehensive testing procedure developed to evaluate the relevant properties of the AFCs for structural application. The material characterization tests provided an invaluable insight into the behavior of the AFCs under various electromechanical conditions. The results from this comprehensive material characterization of the AFC actuator system supported the design and operation of the AMR blades scheduled for wind tunnel tests.

Three-dimensional nanoscale characterisation of materials by atom probe tomography

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

Devaraj, Arun; Perea, Daniel E.; Liu, Jia

The development of three-dimensional (3D), characterization techniques with high spatial and mass resolution is crucial for understanding and developing advanced materials for many engineering applications as well as for understanding natural materials. In recent decades, atom probe tomography (APT) which combines a point projection microscope and time-of-flight mass spectrometer has evolved to be an excellent characterization technique capable of providing 3D nanoscale characterization of materials with sub-nanometer scale spatial resolution, with equal sensitivity for all elements. This review discusses the current state as of beginning of the year 2016 of APT instrumentation, new developments in sample preparation methods, experimental proceduresmore » for different material classes, reconstruction of APT results, the current status of correlative microscopy, and application of APT for microstructural characterization in established scientific areas like structural materials as well as new applications in semiconducting nanowires, semiconductor devices, battery materials, catalyst materials, geological materials and biological materials. Finally, a brief perspective is given regarding the future of APT.« less

Nondestructive Evaluation Approaches Developed for Material Characterization in Aeronautics and Space Applications

NASA Technical Reports Server (NTRS)

Baaklini, George Y.; Kautz, Harold E.; Gyekenyesi, Andrew L.; Abdul-Aziz, Ali; Martin, Richard E.

2001-01-01

At the NASA Glenn Research Center, nondestructive evaluation (NDE) approaches were developed or tailored for characterizing advanced material systems. The emphasis was on high-temperature aerospace propulsion applications. The material systems included monolithic ceramics, superalloys, and high-temperature composites. In the aeronautics area, the major applications were cooled ceramic plate structures for turbine applications, gamma-TiAl blade materials for low-pressure turbines, thermoelastic stress analysis for residual stress measurements in titanium-based and nickel-based engine materials, and acousto-ultrasonics for creep damage assessment in nickel-based alloys. In the space area, applications consisted of cooled carbon-carbon composites for gas generator combustors and flywheel rotors composed of carbon-fiber-reinforced polymer matrix composites for energy storage on the International Space Station.

Potential application of machine vision technology to saffron (Crocus sativus L.) quality characterization.

PubMed

Kiani, Sajad; Minaei, Saeid

2016-12-01

Saffron quality characterization is an important issue in the food industry and of interest to the consumers. This paper proposes an expert system based on the application of machine vision technology for characterization of saffron and shows how it can be employed in practical usage. There is a correlation between saffron color and its geographic location of production and some chemical attributes which could be properly used for characterization of saffron quality and freshness. This may be accomplished by employing image processing techniques coupled with multivariate data analysis for quantification of saffron properties. Expert algorithms can be made available for prediction of saffron characteristics such as color as well as for product classification. Copyright © 2016. Published by Elsevier Ltd.

Metalorganic chemical vapor deposition and characterization of ZnO materials

NASA Astrophysics Data System (ADS)

Sun, Shangzu; Tompa, Gary S.; Hoerman, Brent; Look, David C.; Claflin, Bruce B.; Rice, Catherine E.; Masaun, Puneet

2006-04-01

Zinc oxide is attracting growing interest for potential applications in electronics, optoelectronics, photonics, and chemical and biochemical sensing, among other applications. We report herein our efforts in the growth and characterization of p- and n-type ZnO materials by metalorganic chemical vapor deposition (MOCVD), focusing on recent nitrogen-doped films grown using diethyl zinc as the zinc precursor and nitric oxide (NO) as the dopant. Characterization results, including resistivity, Hall measurements, photoluminescence, and SIMS, are reported and discussed. Electrical behavior was observed to be dependent on illumination, atmosphere, and heat treatment, especially for p-type material.

Characterization of dielectric properties of nanocellulose from wood and algae for electrical insulator applications.

PubMed

Le Bras, David; Strømme, Maria; Mihranyan, Albert

2015-05-07

Cellulose is one of the oldest electrically insulating materials used in oil-filled high-power transformers and cables. However, reports on the dielectric properties of nanocellulose for electrical insulator applications are scarce. The aim of this study was to characterize the dielectric properties of two nanocellulose types from wood, viz., nanofibrillated cellulose (NFC), and algae, viz., Cladophora cellulose, for electrical insulator applications. The cellulose materials were characterized with X-ray diffraction, nitrogen gas and moisture sorption isotherms, helium pycnometry, mechanical testing, and dielectric spectroscopy at various relative humidities. The algae nanocellulose sample was more crystalline and had a lower moisture sorption capacity at low and moderate relative humidities, compared to NFC. On the other hand, it was much more porous, which resulted in lower strength and higher dielectric loss than for NFC. It is concluded that the solid-state properties of nanocellulose may have a substantial impact on the dielectric properties of electrical insulator applications.

Synthesis, characterization, bioactivity and potential application of phenolic acid grafted chitosan: A review.

PubMed

Liu, Jun; Pu, Huimin; Liu, Shuang; Kan, Juan; Jin, Changhai

2017-10-15

In recent years, increasing attention has been paid to the grafting of phenolic acid onto chitosan in order to enhance the bioactivity and widen the application of chitosan. Here, we present a comprehensive overview on the recent advances of phenolic acid grafted chitosan (phenolic acid-g-chitosan) in many aspects, including the synthetic method, structural characterization, biological activity, physicochemical property and potential application. In general, four kinds of techniques including carbodiimide based coupling, enzyme catalyzed grafting, free radical mediated grafting and electrochemical methods are frequently used for the synthesis of phenolic acid-g-chitosan. The structural characterization of phenolic acid-g-chitosan can be determined by several instrumental methods. The physicochemical properties of chitosan are greatly altered after grafting. As compared with chitosan, phenolic acid-g-chitosan exhibits enhanced antioxidant, antimicrobial, antitumor, anti-allergic, anti-inflammatory, anti-diabetic and acetylcholinesterase inhibitory activities. Notably, phenolic acid-g-chitosan shows potential applications in many fields as coating agent, packing material, encapsulation agent and bioadsorbent. Copyright © 2017 Elsevier Ltd. All rights reserved.

SITE CHARACTERIZATION AND ANALYSIS PENETROMETER SYSTEM(SCAPS) LAZER-INDUCED FLUORESCENCE (LIF) SENSOR AND SUPPORT SYSTEM

EPA Science Inventory

The Consortium for Site Characterization Technology (CSCT) has established a formal program to accelerate acceptance and application of innovative monitoring and site characterization technologies that improve the way the nation manages its environmental problems. In 1995 the CS...

Application of geostatistics to coal-resource characterization and mine planning. Final report

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

Kauffman, P.W.; Walton, D.R.; Martuneac, L.

1981-12-01

Geostatistics is a proven method of ore reserve estimation in many non-coal mining areas but little has been published concerning its application to coal resources. This report presents the case for using geostatistics for coal mining applications and describes how a coal mining concern can best utilize geostatistical techniques for coal resource characterization and mine planning. An overview of the theory of geostatistics is also presented. Many of the applications discussed are documented in case studies that are a part of the report. The results of an exhaustive literature search are presented and recommendations are made for needed future researchmore » and demonstration projects.« less

Colorimetric Characterization of Mobile Devices for Vision Applications.

PubMed

de Fez, Dolores; Luque, Maria José; García-Domene, Maria Carmen; Camps, Vicente; Piñero, David

2016-01-01

Available applications for vision testing in mobile devices usually do not include detailed setup instructions, sacrificing rigor to obtain portability and ease of use. In particular, colorimetric characterization processes are generally obviated. We show that different mobile devices differ also in colorimetric profile and that those differences limit the range of applications for which they are most adequate. The color reproduction characteristics of four mobile devices, two smartphones (Samsung Galaxy S4, iPhone 4s) and two tablets (Samsung Galaxy Tab 3, iPad 4), have been evaluated using two procedures: 3D LUT (Look Up Table) and a linear model assuming primary constancy and independence of the channels. The color reproduction errors have been computed with the CIEDE2000 color difference formula. There is good constancy of primaries but large deviations of additivity. The 3D LUT characterization yields smaller reproduction errors and dispersions for the Tab 3 and iPhone 4 devices, but for the iPad 4 and S4, both models are equally good. The smallest reproduction errors occur with both Apple devices, although the iPad 4 has the highest number of outliers of all devices with both colorimetric characterizations. Even though there is good constancy of primaries, the large deviations of additivity exhibited by the devices and the larger reproduction errors make any characterization based on channel independence not recommendable. The smartphone screens show, in average, the best color reproduction performance, particularly the iPhone 4, and therefore, they are more adequate for applications requiring precise color reproduction.

Characterization of Nanocomposites by Thermal Analysis

PubMed Central

Corcione, Carola Esposito; Frigione, Mariaenrica

2012-01-01

In materials research, the development of polymer nanocomposites (PN) is rapidly emerging as a multidisciplinary research field with results that could broaden the applications of polymers to many different industries. PN are polymer matrices (thermoplastics, thermosets or elastomers) that have been reinforced with small quantities of nano-sized particles, preferably characterized by high aspect ratios, such as layered silicates and carbon nanotubes. Thermal analysis (TA) is a useful tool to investigate a wide variety of properties of polymers and it can be also applied to PN in order to gain further insight into their structure. This review illustrates the versatile applications of TA methods in the emerging field of polymer nanomaterial research, presenting some examples of applications of differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanical thermal analysis (DMTA) and thermal mechanical analysis (TMA) for the characterization of nanocomposite materials.

On the importance of identifying, characterizing, and predicting fundamental phenomena towards microbial electrochemistry applications.

PubMed

Torres, César Iván

2014-06-01

The development of microbial electrochemistry research toward technological applications has increased significantly in the past years, leading to many process configurations. This short review focuses on the need to identify and characterize the fundamental phenomena that control the performance of microbial electrochemical cells (MXCs). Specifically, it discusses the importance of recent efforts to discover and characterize novel microorganisms for MXC applications, as well as recent developments to understand transport limitations in MXCs. As we increase our understanding of how MXCs operate, it is imperative to continue modeling efforts in order to effectively predict their performance, design efficient MXC technologies, and implement them commercially. Thus, the success of MXC technologies largely depends on the path of identifying, understanding, and predicting fundamental phenomena that determine MXC performance. Copyright © 2013 Elsevier Ltd. All rights reserved.

Characterizing a novel strain of Bacillus amyloliquefaciens BAC03 for potential biological control application

USDA-ARS?s Scientific Manuscript database

Aims: Identify and characterize a bacterial strain from suppressive soil, BAC03, evaluate its antimicrobial activity against Streptomyces scabies and other microorganisms, and characterize an antimicrobial substance produced by this strain. Methods and Results: Bacterial strain BAC03 (isolated from ...

METAL OXIDE NANOPARTICLES

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

FERNANDEZ-GARCIA,M.; RODGRIGUEZ, J.A.

2007-10-01

This chapter covers the fundamental science, synthesis, characterization, physicochemical properties and applications of oxide nanomaterials. Explains fundamental aspects that determine the growth and behavior of these systems, briefly examines synthetic procedures using bottom-up and top-down fabrication technologies, discusses the sophisticated experimental techniques and state of the art theory results used to characterize the physico-chemical properties of oxide solids and describe the current knowledge concerning key oxide materials with important technological applications.

Fast and Accurate Support Vector Machines on Large Scale Systems

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

Vishnu, Abhinav; Narasimhan, Jayenthi; Holder, Larry

Support Vector Machines (SVM) is a supervised Machine Learning and Data Mining (MLDM) algorithm, which has become ubiquitous largely due to its high accuracy and obliviousness to dimensionality. The objective of SVM is to find an optimal boundary --- also known as hyperplane --- which separates the samples (examples in a dataset) of different classes by a maximum margin. Usually, very few samples contribute to the definition of the boundary. However, existing parallel algorithms use the entire dataset for finding the boundary, which is sub-optimal for performance reasons. In this paper, we propose a novel distributed memory algorithm to eliminatemore » the samples which do not contribute to the boundary definition in SVM. We propose several heuristics, which range from early (aggressive) to late (conservative) elimination of the samples, such that the overall time for generating the boundary is reduced considerably. In a few cases, a sample may be eliminated (shrunk) pre-emptively --- potentially resulting in an incorrect boundary. We propose a scalable approach to synchronize the necessary data structures such that the proposed algorithm maintains its accuracy. We consider the necessary trade-offs of single/multiple synchronization using in-depth time-space complexity analysis. We implement the proposed algorithm using MPI and compare it with libsvm--- de facto sequential SVM software --- which we enhance with OpenMP for multi-core/many-core parallelism. Our proposed approach shows excellent efficiency using up to 4096 processes on several large datasets such as UCI HIGGS Boson dataset and Offending URL dataset.« less

Modeling Cooperative Threads to Project GPU Performance for Adaptive Parallelism

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

Meng, Jiayuan; Uram, Thomas; Morozov, Vitali A.

Most accelerators, such as graphics processing units (GPUs) and vector processors, are particularly suitable for accelerating massively parallel workloads. On the other hand, conventional workloads are developed for multi-core parallelism, which often scale to only a few dozen OpenMP threads. When hardware threads significantly outnumber the degree of parallelism in the outer loop, programmers are challenged with efficient hardware utilization. A common solution is to further exploit the parallelism hidden deep in the code structure. Such parallelism is less structured: parallel and sequential loops may be imperfectly nested within each other, neigh boring inner loops may exhibit different concurrency patternsmore » (e.g. Reduction vs. Forall), yet have to be parallelized in the same parallel section. Many input-dependent transformations have to be explored. A programmer often employs a larger group of hardware threads to cooperatively walk through a smaller outer loop partition and adaptively exploit any encountered parallelism. This process is time-consuming and error-prone, yet the risk of gaining little or no performance remains high for such workloads. To reduce risk and guide implementation, we propose a technique to model workloads with limited parallelism that can automatically explore and evaluate transformations involving cooperative threads. Eventually, our framework projects the best achievable performance and the most promising transformations without implementing GPU code or using physical hardware. We envision our technique to be integrated into future compilers or optimization frameworks for autotuning.« less

Massively parallel and linear-scaling algorithm for second-order Moller–Plesset perturbation theory applied to the study of supramolecular wires

DOE PAGES

Kjaergaard, Thomas; Baudin, Pablo; Bykov, Dmytro; ...

2016-11-16

Here, we present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide–Expand–Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide–Expand–Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalabilitymore » of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the “resolution of the identity second-order Moller–Plesset perturbation theory” (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.« less

PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules

NASA Astrophysics Data System (ADS)

Meena, Deep Raj; Gadre, Shridhar R.; Balanarayan, P.

2018-03-01

The present work describes a code for evaluating the electron momentum density (EMD), its moments and the associated Shannon information entropy for a multi-electron molecular system. The code works specifically for electronic wave functions obtained from traditional electronic structure packages such as GAMESS and GAUSSIAN. For the momentum space orbitals, the general expression for Gaussian basis sets in position space is analytically Fourier transformed to momentum space Gaussian basis functions. The molecular orbital coefficients of the wave function are taken as an input from the output file of the electronic structure calculation. The analytic expressions of EMD are evaluated over a fine grid and the accuracy of the code is verified by a normalization check and a numerical kinetic energy evaluation which is compared with the analytic kinetic energy given by the electronic structure package. Apart from electron momentum density, electron density in position space has also been integrated into this package. The program is written in C++ and is executed through a Shell script. It is also tuned for multicore machines with shared memory through OpenMP. The program has been tested for a variety of molecules and correlated methods such as CISD, Møller-Plesset second order (MP2) theory and density functional methods. For correlated methods, the PAREMD program uses natural spin orbitals as an input. The program has been benchmarked for a variety of Gaussian basis sets for different molecules showing a linear speedup on a parallel architecture.

GPU-accelerated algorithms for many-particle continuous-time quantum walks

NASA Astrophysics Data System (ADS)

Piccinini, Enrico; Benedetti, Claudia; Siloi, Ilaria; Paris, Matteo G. A.; Bordone, Paolo

2017-06-01

Many-particle continuous-time quantum walks (CTQWs) represent a resource for several tasks in quantum technology, including quantum search algorithms and universal quantum computation. In order to design and implement CTQWs in a realistic scenario, one needs effective simulation tools for Hamiltonians that take into account static noise and fluctuations in the lattice, i.e. Hamiltonians containing stochastic terms. To this aim, we suggest a parallel algorithm based on the Taylor series expansion of the evolution operator, and compare its performances with those of algorithms based on the exact diagonalization of the Hamiltonian or a 4th order Runge-Kutta integration. We prove that both Taylor-series expansion and Runge-Kutta algorithms are reliable and have a low computational cost, the Taylor-series expansion showing the additional advantage of a memory allocation not depending on the precision of calculation. Both algorithms are also highly parallelizable within the SIMT paradigm, and are thus suitable for GPGPU computing. In turn, we have benchmarked 4 NVIDIA GPUs and 3 quad-core Intel CPUs for a 2-particle system over lattices of increasing dimension, showing that the speedup provided by GPU computing, with respect to the OPENMP parallelization, lies in the range between 8x and (more than) 20x, depending on the frequency of post-processing. GPU-accelerated codes thus allow one to overcome concerns about the execution time, and make it possible simulations with many interacting particles on large lattices, with the only limit of the memory available on the device.

Green synthesis and characterization of novel gold nanocomposites for electrochemical sensing applications.

PubMed

Tanwar, Shivani; Ho, Ja-an Annie; Magi, Emanuele

2013-12-15

Synthesis, characterization and application of Au-PANI-Calix and Au-PANI-Nap nanocomposites, is reported herein. An easy template free green synthesis is proposed and discussed for easy expediency. A variety of analytical techniques were used to characterize the nanocomposites: UV-vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, Dynamic light scattering (DLS), X-ray diffraction (XRD), Energy-dispersive X-ray spectroscopy (EDX), and X-ray photoelectron spectroscopy (XPS) were used to characterize the nanocomposites. Surface morphology was studied by transmission electron microscopy (TEM). The nanocomposites were immobilized on screen-printed electrode and showed electroactivity in neutral pH, making them promising candidates for various analytical applications. A sensitive and selective detection of Cu(2+) was perceived on the Au-PANI-Calix modified electrode with no interference from ions K(+), Ni(2+), Co(2+), Pb(2+), Cr(3+) with a detection limit of 10nM. The copper detection is facilitated for accessible ligation with 4-sulfocalix[4]arene, so as the Cu(II)-Calix complex formed. The electrode modified with Au-PANI-Nap showed sensing application towards H2O2 with a detection limit of 1 μM. The modified electrodes were reproducible and stable for 2 months. © 2013 Elsevier B.V. All rights reserved.

A Modular Pipelined Processor for High Resolution Gamma-Ray Spectroscopy

NASA Astrophysics Data System (ADS)

Veiga, Alejandro; Grunfeld, Christian

2016-02-01

The design of a digital signal processor for gamma-ray applications is presented in which a single ADC input can simultaneously provide temporal and energy characterization of gamma radiation for a wide range of applications. Applying pipelining techniques, the processor is able to manage and synchronize very large volumes of streamed real-time data. Its modular user interface provides a flexible environment for experimental design. The processor can fit in a medium-sized FPGA device operating at ADC sampling frequency, providing an efficient solution for multi-channel applications. Two experiments are presented in order to characterize its temporal and energy resolution.

The spectroscopic characterization of newly developed emissive materials and the effects of environment on their photophysical properties

NASA Astrophysics Data System (ADS)

McNamara, Louis Edward, III

The development of new materials capable of efficient charge transfer and energy storage has become increasingly important in many areas of modern chemical research. This is especially true for the development of emissive optoelectronic devices and in the field of solar to electric energy conversion. The characterization of the photophysical properties of new molecular systems for these applications has become critical in the design and development of these materials. Many molecular building blocks have been developed and understanding the properties of these molecules at a fundamental level is essential for their successful implementation and future engineering. This dissertation focuses on the characterization of some of these newly-developed molecular systems. The spectroscopic studies focus on the characterization of newly-developed molecules based on perylene and indolizine derivatives for solar to electric energy conversion, thienopyrazine derivatives for near infrared (NIR) emissive applications, an SCS pincer complex for blue emissive materials and a fluorescent probe for medical applications. The effects of noncovalent interactions are also investigated on these systems and a benchmark biological molecule trimethylamine N-oxide (TMAO).

Characterizing wood-plastic composites via data-driven methodologies

Treesearch

John G. Michopoulos; John C. Hermanson; Robert Badaliance

2007-01-01

The recent increase of wood-plastic composite materials in various application areas has underlined the need for an efficient and robust methodology to characterize their nonlinear anisotropic constitutive behavior. In addition, the multiplicity of various loading conditions in structures utilizing these materials further increases the need for a characterization...

NASA Thermographic Inspection of Advanced Composite Materials

NASA Technical Reports Server (NTRS)

Cramer, K. Elliott

2004-01-01

As the use of advanced composite materials continues to increase in the aerospace community, the need for a quantitative, rapid, in situ inspection technology has become a critical concern throughout the industry. In many applications it is necessary to monitor changes in these materials over an extended period of time to determine the effects of various load conditions. Additionally, the detection and characterization of defects such as delaminations, is of great concern. This paper will present the application of infrared thermography to characterize various composite materials and show the advantages of different heat source types. Finally, various analysis methodologies used for quantitative material property characterization will be discussed.

Phosphates based pigments for new anti-corrosion application: Synthesis and characterization

NASA Astrophysics Data System (ADS)

Tbib, B.; Eddya, M.; El-Hami, K.

2018-02-01

Our study focused on pyrophosphates SrZn1-xMxP2O7 using four series by substituting M with manganese (Mn), cobalt (Co), nickel (Ni), and copper (Cu). They were prepared by reaction in the solid state at 1000 °C for 24 hours and then characterized by X-ray diffraction, which showed that the obtained products are pure. The characterization by UV-visible spectroscopy was used to explain the color of the obtained materials and the optical properties showing the optical energy gap and disorder of these materials. Potential application could be done using the new anti-corrosion pigments based on phosphates.

The Chameleon Effect: characterization challenges due to the variability of nanoparticles and their surfaces of nanoparticles and their surfaces

NASA Astrophysics Data System (ADS)

Baer, Donald R.

2018-05-01

Nanoparticles in a variety of forms are increasing important in fundamental research, technological and medical applications, and environmental or toxicology studies. Physical and chemical drivers that lead to multiple types of particle instabilities complicate both the ability to produce, appropriately characterize, and consistently deliver well-defined particles, frequently leading to inconsistencies and conflicts in the published literature. This perspective suggests that provenance information, beyond that often recorded or reported, and application of a set of core characterization methods, including a surface sensitive technique, consistently applied at critical times can serve as tools in the effort minimize reproducibility issues.

Proceedings of the 13th biennial conference on carbon. Extended abstracts and program

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

None

1977-01-01

Properties of carbon are covered including: mechanical and frictional properties; chemical reactivity and surfaces; aerospace applications; carbonization and graphitization; industrial applications; electrical and thermal properties; biomaterials applications; fibers and composites; nuclear applications; activated carbon and adsorption; advances in carbon characterization; and micromechanics and modeling. (GHT)

Broadband surface plasmon jets: direct observation of plasmon propagation for application to sensors and optical communications in microscale and nanoscale circuitry

DOEpatents

Bouhelier, Alexandre [Westmont, IL; Wiederrecht, Gary P [Elmhurst, IL

2008-02-19

A system and method for generating and using broadband surface plasmons in a metal film for characterization of analyte on or near the metal film. The surface plasmons interact with the analyte and generate leakage radiation which has spectral features which can be used to inspect, identify and characterize the analyte. The broadband plasmon excitation enables high-bandwidth photonic applications.

The characterization of organic contaminants during the development of the Space Station water reclamation and management system

NASA Technical Reports Server (NTRS)

Cole, H.; Habercom, M.; Crenshaw, M.; Johnson, S.; Manuel, S.; Martindale, W.; Whitman, G.; Traweek, M.

1991-01-01

Examples of the application of various methods for characterizing samples for alcohols, fatty acids, detergents, and volatile/semivolatile basic, neutral, and phenolic acid contaminants are presented. Data, applications, and interpretations are given for a variety of methods including sample preparation/cleanup procedures, ion chromatography, and gas chromatography with various detectors. Summaries of the major organic contaminants that contribute to the total organic carbon content are presented.

Synthesis, characterization and in vitro biocompatibility assessment of a novel tripeptide hydrogelator, as a promising scaffold for tissue engineering applications.

PubMed

Pospišil, Tihomir; Ferhatović Hamzić, Lejla; Brkić Ahmed, Lada; Lovrić, Marija; Gajović, Srećko; Frkanec, Leo

2016-10-20

We have synthesized and characterized a self-assembling tripeptide hydrogelator Ac-l-Phe-l-Phe-l-Ala-NH2. A series of experiments showed that the hydrogel material could serve as a stabile and biocompatible physical support as it improves the survival of HEK293T cells in vitro, thus being a promising biomaterial for use in tissue engineering applications.

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

NREL developed a modeling and experimental strategy to characterize thermal performance of materials. The technique provides critical data on thermal properties with relevance for electronics packaging applications. Thermal contact resistance and bulk thermal conductivity were characterized for new high-performance materials such as thermoplastics, boron-nitride nanosheets, copper nanowires, and atomically bonded layers. The technique is an important tool for developing designs and materials that enable power electronics packaging with small footprint, high power density, and low cost for numerous applications.

Scanning Angle Raman spectroscopy in polymer thin film characterization

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

Nguyen, Vy H.T.

The focus of this thesis is the application of Raman spectroscopy for the characterization of thin polymer films. Chapter 1 provides background information and motivation, including the fundamentals of Raman spectroscopy for chemical analysis, scanning angle Raman scattering and scanning angle Raman scattering for applications in thin polymer film characterization. Chapter 2 represents a published manuscript that focuses on the application of scanning angle Raman spectroscopy for the analysis of submicron thin films with a description of methodology for measuring the film thickness and location of an interface between two polymer layers. Chapter 3 provides an outlook and future directionsmore » for the work outlined in this thesis. Appendix A, contains a published manuscript that outlines the use of Raman spectroscopy to aid in the synthesis of heterogeneous catalytic systems. Appendix B and C contain published manuscripts that set a foundation for the work presented in Chapter 2.« less

Simultaneous dual-color fluorescence microscope: a characterization study.

PubMed

Li, Zheng; Chen, Xiaodong; Ren, Liqiang; Song, Jie; Li, Yuhua; Zheng, Bin; Liu, Hong

2013-01-01

High spatial resolution and geometric accuracy is crucial for chromosomal analysis of clinical cytogenetic applications. High resolution and rapid simultaneous acquisition of multiple fluorescent wavelengths can be achieved by utilizing concurrent imaging with multiple detectors. However, such class of microscopic systems functions differently from traditional fluorescence microscopes. To develop a practical characterization framework to assess and optimize the performance of a high resolution and dual-color fluorescence microscope designed for clinical chromosomal analysis. A dual-band microscopic imaging system utilizes a dichroic mirror, two sets of specially selected optical filters, and two detectors to simultaneously acquire two fluorescent wavelengths. The system's geometric distortion, linearity, the modulation transfer function, and the dual detectors' alignment were characterized. Experiment results show that the geometric distortion at lens periphery is less than 1%. Both fluorescent channels show linear signal responses, but there exists discrepancy between the two due to the detectors' non-uniform response ratio to different wavelengths. In terms of the spatial resolution, the two contrast transfer function curves trend agreeably with the spatial frequency. The alignment measurement allows quantitatively assessing the cameras' alignment. A result image of adjusted alignment is demonstrated to show the reduced discrepancy by using the alignment measurement method. In this paper, we present a system characterization study and its methods for a specially designed imaging system for clinical cytogenetic applications. The presented characterization methods are not only unique to this dual-color imaging system but also applicable to evaluation and optimization of other similar multi-color microscopic image systems for improving their clinical utilities for future cytogenetic applications.

Application of microtremor horizontal-to-vertical spectral ratio (MHVSR) analysis for site characterization: State of the art

USGS Publications Warehouse

Molnar, S.; Cassidy, J. F.; Castellaro, S.; Cornou, C.; Crow, H.; Hunter, J. A.; Matsushima, S.; Sanchez-Sesma, F. J.; Yong, Alan

2018-01-01

Nakamura (Q Rep Railway Tech Res Inst 30:25–33, 1989) popularized the application of the horizontal-to-vertical spectral ratio (HVSR) analysis of microtremor (seismic noise or ambient vibration) recordings to estimate the predominant frequency and amplification factor of earthquake shaking. During the following quarter century, popularity in the microtremor HVSR (MHVSR) method grew; studies have verified the stability of a site’s MHVSR response over time and validated the MHVSR response with that of earthquake HVSR response. Today, MHVSR analysis is a popular reconnaissance tool used worldwide for seismic microzonation and earthquake site characterization in numerous regions, specifically, in the mapping of site period or fundamental frequency and inverted for shear-wave velocity depth profiles, respectively. However, the ubiquity of MHVSR analysis is predominantly a consequence of its ease in application rather than our full understanding of its theory. We present the state of the art in MHVSR analyses in terms of the development of its theoretical basis, current state of practice, and we comment on its future for applications in earthquake site characterization.

Polymer Brushes: Synthesis, Characterization, Applications

NASA Astrophysics Data System (ADS)

Advincula, Rigoberto C.; Brittain, William J.; Caster, Kenneth C.; Rühe, Jürgen

2004-09-01

Materials scientists, polymer chemists, surface physicists and materials engineers will find this book a complete and detailed treatise on the field of polymer brushes, their synthesis, characterization and manifold applications. In a first section, the various synthetic pathways and different surface materials are introduced and explained, followed by a second section covering important aspects of characterization and analysis in both flat surfaces and particles. These specific surface initiated polymerization (SIP) systems such as linear polymers, homopolymers, block copolymers, and hyperbranched polymers are unique compared to previously reported systems by chemisorption or physisorption. They have found their way in both large-scale and miniature applications of polymer brushes, which is covered in the last section. Such 'hairy' surfaces offer fascinating opportunities for addressing numerous problems of both academic and, in particular, industrial interest: high-quality, functional or protective coatings, composite materials, surface engineered particles, metal-organic interfaces, biological applications, micro-patterning, colloids, nanoparticles, functional devices, and many more. It is the desire of the authors that this book will be of benefit to readers who want to "brush-up on polymers".

Application of Microtremor Horizontal-to-Vertical Spectral Ratio (MHVSR) Analysis for Site Characterization: State of the Art

NASA Astrophysics Data System (ADS)

Molnar, S.; Cassidy, J. F.; Castellaro, S.; Cornou, C.; Crow, H.; Hunter, J. A.; Matsushima, S.; Sánchez-Sesma, F. J.; Yong, A.

2018-03-01

Nakamura (Q Rep Railway Tech Res Inst 30:25-33, 1989) popularized the application of the horizontal-to-vertical spectral ratio (HVSR) analysis of microtremor (seismic noise or ambient vibration) recordings to estimate the predominant frequency and amplification factor of earthquake shaking. During the following quarter century, popularity in the microtremor HVSR (MHVSR) method grew; studies have verified the stability of a site's MHVSR response over time and validated the MHVSR response with that of earthquake HVSR response. Today, MHVSR analysis is a popular reconnaissance tool used worldwide for seismic microzonation and earthquake site characterization in numerous regions, specifically, in the mapping of site period or fundamental frequency and inverted for shear-wave velocity depth profiles, respectively. However, the ubiquity of MHVSR analysis is predominantly a consequence of its ease in application rather than our full understanding of its theory. We present the state of the art in MHVSR analyses in terms of the development of its theoretical basis, current state of practice, and we comment on its future for applications in earthquake site characterization.

Application of Microtremor Horizontal-to-Vertical Spectral Ratio (MHVSR) Analysis for Site Characterization: State of the Art

NASA Astrophysics Data System (ADS)

Molnar, S.; Cassidy, J. F.; Castellaro, S.; Cornou, C.; Crow, H.; Hunter, J. A.; Matsushima, S.; Sánchez-Sesma, F. J.; Yong, A.

2018-07-01

Nakamura (Q Rep Railway Tech Res Inst 30:25-33, 1989) popularized the application of the horizontal-to-vertical spectral ratio (HVSR) analysis of microtremor (seismic noise or ambient vibration) recordings to estimate the predominant frequency and amplification factor of earthquake shaking. During the following quarter century, popularity in the microtremor HVSR (MHVSR) method grew; studies have verified the stability of a site's MHVSR response over time and validated the MHVSR response with that of earthquake HVSR response. Today, MHVSR analysis is a popular reconnaissance tool used worldwide for seismic microzonation and earthquake site characterization in numerous regions, specifically, in the mapping of site period or fundamental frequency and inverted for shear-wave velocity depth profiles, respectively. However, the ubiquity of MHVSR analysis is predominantly a consequence of its ease in application rather than our full understanding of its theory. We present the state of the art in MHVSR analyses in terms of the development of its theoretical basis, current state of practice, and we comment on its future for applications in earthquake site characterization.

SURFACE APPLICATION SYSTEM FOR IN SITU GROUND-WATER BIOREMEDIATION: SITE CHARACTERIZATION AND MODELING

EPA Science Inventory

Surface application offers an inexpensive, noninvasive alternative to injection wells and infiltration galleries for in situ ground-water bioreniediation applications. The technology employs artificial recharge to create favorable hydraulic conditions for mixing and vertical tran...

Evaluation of semiconductor devices for Electric and Hybrid Vehicle (EHV) ac-drive applications, volume 2

NASA Technical Reports Server (NTRS)

Lee, F. C.; Chen, D. Y.; Jovanic, M.; Hopkins, D. C.

1985-01-01

Test data of switching times characterization of bipolar transistors, of field effect transistor's switching times on-resistance and characterization, comparative data of field effect transistors, and test data of field effect transistor's parallel operation characterization are given. Data is given in the form of graphs.

Developing Carbon Nanotube Standards at NASA

NASA Technical Reports Server (NTRS)

Nikolaev, Pasha; Arepalli, Sivaram; Sosa, Edward; Gorelik, Olga; Yowell, Leonard

2007-01-01

Single wall carbon nanotubes (SWCNTs) are currently being produced and processed by several methods. Many researchers are continuously modifying existing methods and developing new methods to incorporate carbon nanotubes into other materials and utilize the phenomenal properties of SWCNTs. These applications require availability of SWCNTs with known properties and there is a need to characterize these materials in a consistent manner. In order to monitor such progress, it is critical to establish a means by which to define the quality of SWCNT material and develop characterization standards to evaluate of nanotube quality across the board. Such characterization standards should be applicable to as-produced materials as well as processed SWCNT materials. In order to address this issue, NASA Johnson Space Center has developed a protocol for purity and dispersion characterization of SWCNTs (Ref.1). The NASA JSC group is currently working with NIST, ANSI and ISO to establish purity and dispersion standards for SWCNT material. A practice guide for nanotube characterization is being developed in cooperation with NIST (Ref.2). Furthermore, work is in progress to incorporate additional characterization methods for electrical, mechanical, thermal, optical and other properties of SWCNTs.

Developing Carbon Nanotube Standards at NASA

NASA Technical Reports Server (NTRS)

Nikolaev, Pasha; Arepalli, Sivaram; Sosa, Edward; Gorelik, Olga; Yowell, Leonard

2007-01-01

Single wall carbon nanotubes (SWCNTs) are currently being produced and processed by several methods. Many researchers are continuously modifying existing methods and developing new methods to incorporate carbon nanotubes into other materials and utilize the phenomenal properties of SWCNTs. These applications require availability of SWCNTs with known properties and there is a need to characterize these materials in a consistent manner. In order to monitor such progress, it is critical to establish a means by which to define the quality of SWCNT material and develop characterization standards to evaluate of nanotube quality across the board. Such characterization standards should be applicable to as-produced materials as well as processed SWCNT materials. In order to address this issue, NASA Johnson Space Center has developed a protocol for purity and dispersion characterization of SWCNTs. The NASA JSC group is currently working with NIST, ANSI and ISO to establish purity and dispersion standards for SWCNT material. A practice guide for nanotube characterization is being developed in cooperation with NIST. Furthermore, work is in progress to incorporate additional characterization methods for electrical, mechanical, thermal, optical and other properties of SWCNTs.

Characterization of Contrast Agent Microbubbles for Ultrasound Imaging and Therapy Research.

PubMed

Mulvana, Helen; Browning, Richard J; Luan, Ying; de Jong, Nico; Tang, Meng-Xing; Eckersley, Robert J; Stride, Eleanor

2017-01-01

The high efficiency with which gas microbubbles can scatter ultrasound compared with the surrounding blood pool or tissues has led to their widespread employment as contrast agents in ultrasound imaging. In recent years, their applications have been extended to include super-resolution imaging and the stimulation of localized bio-effects for therapy. The growing exploitation of contrast agents in ultrasound and in particular these recent developments have amplified the need to characterize and fully understand microbubble behavior. The aim in doing so is to more fully exploit their utility for both diagnostic imaging and potential future therapeutic applications. This paper presents the key characteristics of microbubbles that determine their efficacy in diagnostic and therapeutic applications and the corresponding techniques for their measurement. In each case, we have presented information regarding the methods available and their respective strengths and limitations, with the aim of presenting information relevant to the selection of appropriate characterization methods. First, we examine methods for determining the physical properties of microbubble suspensions and then techniques for acoustic characterization of both suspensions and single microbubbles. The next section covers characterization of microbubbles as therapeutic agents, including as drug carriers for which detailed understanding of their surface characteristics and drug loading capacity is required. Finally, we discuss the attempts that have been made to allow comparison across the methods employed by various groups to characterize and describe their microbubble suspensions and promote wider discussion and comparison of microbubble behavior.

Magnetic Characterization of Iron Oxide Nanoparticles for Biomedical Applications.

PubMed

Maldonado-Camargo, Lorena; Unni, Mythreyi; Rinaldi, Carlos

2017-01-01

Iron oxide nanoparticles are of interest in a wide range of biomedical applications due to their response to applied magnetic fields and their unique magnetic properties. Magnetization measurements in constant and time-varying magnetic field are often carried out to quantify key properties of iron oxide nanoparticles. This chapter describes the importance of thorough magnetic characterization of iron oxide nanoparticles intended for use in biomedical applications. A basic introduction to relevant magnetic properties of iron oxide nanoparticles is given, followed by protocols and conditions used for measurement of magnetic properties, along with examples of data obtained from each measurement, and methods of data analysis.

Thermal Remote Anemometer Device

NASA Technical Reports Server (NTRS)

Heyman, Joseph S.; Heath, D. Michele; Winfree, William P.; Miller, William E.; Welch, Christopher S.

1988-01-01

Thermal Remote Anemometer Device developed for remote, noncontacting, passive measurement of thermal properties of sample. Model heated locally by scanning laser beam and cooled by wind in tunnel. Thermal image of model analyzed to deduce pattern of airflow around model. For materials applications, system used for evaluation of thin films and determination of thermal diffusivity and adhesive-layer contact. For medical applications, measures perfusion through skin to characterize blood flow and used to determine viabilities of grafts and to characterize tissues.

Biomedical Applications of Terahertz Spectroscopy: A Brief Review

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

Vargas-Luna, M.; Huerta-Franco, R.

The Terahertz (THz) window of the electromagnetic spectrum has been partially explored but almost unexploited commercially. In recent years there has been an increased interest and a technological boost in THz research for detection systems, material characterization and imaging. Among many hot topics the researchers are interested in medical applications, and protein characterization. We present a general overview of the field showing some of the handicaps and promises of this region of the electromagnetic spectru000.

Increasing Heavy Oil Reserves in the Wilmington Oil Field Through Advanced Reservoir Characterization and Thermal Production Technologies, Class III

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

City of Long Beach; Tidelands Oil Production Company; University of Southern California

2002-09-30

The objective of this project was to increase the recoverable heavy oil reserves within sections of the Wilmington Oil Field, near Long Beach, California through the testing and application of advanced reservoir characterization and thermal production technologies. The successful application of these technologies would result in expanding their implementation throughout the Wilmington Field and, through technology transfer, to other slope and basin clastic (SBC) reservoirs.

Full-wave Characterization of Rough Terrain Surface Effects for Forward-looking Radar Applications: A Scattering and Imaging Study from the Electromagnetic Perspective

DTIC Science & Technology

2011-09-01

and Imaging Framework First, the parallelized 3-D FDTD algorithm is applied to simulate composite scattering from targets in a rough ground...solver as pertinent to forward-looking radar sensing , the effects of surface clutter on multistatic target imaging are illustrated with large-scale...Full-wave Characterization of Rough Terrain Surface Effects for Forward-looking Radar Applications: A Scattering and Imaging Study from the

Characterization of the Structural and Chemical Properties of Copper Chelators in Seawater

DTIC Science & Technology

2000-09-30

are pink). All of the strains that don’t make the ligand contain phycocyanin (the cultures are green). So far we have no explanation for this...thiol that does not co-elute with any of her thiol standards. IMPACT/ APPLICATIONS Successful characterization of this material could lead to new...insight into the sources and chemistry of Cu ligands in seawater. Potential applications could arise if we identify a new class of chelators selective

Characterization of Low Pressure Cold Plasma in the Cleaning of Contaminated Surfaces

NASA Technical Reports Server (NTRS)

Lanz, Devin Garrett; Hintze, Paul E.

2016-01-01

The characterization of low pressure cold plasma is a broad topic which would benefit many different applications involving such plasma. The characterization described in this paper focuses on cold plasma used as a medium in cleaning and disinfection applications. Optical Emission Spectroscopy (OES) and Mass Spectrometry (MS) are the two analytical methods used in this paper to characterize the plasma. OES analyzes molecules in the plasma phase by displaying the light emitted by the plasma molecules on a graph of wavelength vs. intensity. OES was most useful in identifying species which may interact with other molecules in the plasma, such as atomic oxygen or hydroxide radicals. Extracting useful data from the MS is done by filtering out the peaks generated by expected molecules and looking for peaks caused by foreign ones leaving the plasma chamber. This paper describes the efforts at setting up and testing these methods in order to accurately and effectively characterize the plasma.

Pre-Application Meeting for TCGA Expansion RFA - TCGA

Cancer.gov

The National Cancer Institute (NCI) hosted a pre-application meeting for TCGA funding of Genome Characterization Centers and Genome Data Analysis Centers. At this pre-application meeting, NCI staff presented on the goals and objectives for the TCGA Research Network, discussed the Request for Applications (RFA) peer review process and answered questions.

One-Dimensional Perovskite Manganite Oxide Nanostructures: Recent Developments in Synthesis, Characterization, Transport Properties, and Applications

NASA Astrophysics Data System (ADS)

Li, Lei; Liang, Lizhi; Wu, Heng; Zhu, Xinhua

2016-03-01

One-dimensional nanostructures, including nanowires, nanorods, nanotubes, nanofibers, and nanobelts, have promising applications in mesoscopic physics and nanoscale devices. In contrast to other nanostructures, one-dimensional nanostructures can provide unique advantages in investigating the size and dimensionality dependence of the materials' physical properties, such as electrical, thermal, and mechanical performances, and in constructing nanoscale electronic and optoelectronic devices. Among the one-dimensional nanostructures, one-dimensional perovskite manganite nanostructures have been received much attention due to their unusual electron transport and magnetic properties, which are indispensable for the applications in microelectronic, magnetic, and spintronic devices. In the past two decades, much effort has been made to synthesize and characterize one-dimensional perovskite manganite nanostructures in the forms of nanorods, nanowires, nanotubes, and nanobelts. Various physical and chemical deposition techniques and growth mechanisms are explored and developed to control the morphology, identical shape, uniform size, crystalline structure, defects, and homogenous stoichiometry of the one-dimensional perovskite manganite nanostructures. This article provides a comprehensive review of the state-of-the-art research activities that focus on the rational synthesis, structural characterization, fundamental properties, and unique applications of one-dimensional perovskite manganite nanostructures in nanotechnology. It begins with the rational synthesis of one-dimensional perovskite manganite nanostructures and then summarizes their structural characterizations. Fundamental physical properties of one-dimensional perovskite manganite nanostructures are also highlighted, and a range of unique applications in information storages, field-effect transistors, and spintronic devices are discussed. Finally, we conclude this review with some perspectives/outlook and future researches in these fields.

One-Dimensional Perovskite Manganite Oxide Nanostructures: Recent Developments in Synthesis, Characterization, Transport Properties, and Applications.

PubMed

Li, Lei; Liang, Lizhi; Wu, Heng; Zhu, Xinhua

2016-12-01

One-dimensional nanostructures, including nanowires, nanorods, nanotubes, nanofibers, and nanobelts, have promising applications in mesoscopic physics and nanoscale devices. In contrast to other nanostructures, one-dimensional nanostructures can provide unique advantages in investigating the size and dimensionality dependence of the materials' physical properties, such as electrical, thermal, and mechanical performances, and in constructing nanoscale electronic and optoelectronic devices. Among the one-dimensional nanostructures, one-dimensional perovskite manganite nanostructures have been received much attention due to their unusual electron transport and magnetic properties, which are indispensable for the applications in microelectronic, magnetic, and spintronic devices. In the past two decades, much effort has been made to synthesize and characterize one-dimensional perovskite manganite nanostructures in the forms of nanorods, nanowires, nanotubes, and nanobelts. Various physical and chemical deposition techniques and growth mechanisms are explored and developed to control the morphology, identical shape, uniform size, crystalline structure, defects, and homogenous stoichiometry of the one-dimensional perovskite manganite nanostructures. This article provides a comprehensive review of the state-of-the-art research activities that focus on the rational synthesis, structural characterization, fundamental properties, and unique applications of one-dimensional perovskite manganite nanostructures in nanotechnology. It begins with the rational synthesis of one-dimensional perovskite manganite nanostructures and then summarizes their structural characterizations. Fundamental physical properties of one-dimensional perovskite manganite nanostructures are also highlighted, and a range of unique applications in information storages, field-effect transistors, and spintronic devices are discussed. Finally, we conclude this review with some perspectives/outlook and future researches in these fields.

Enrichment and characterization of ferritin for nanomaterial applications

NASA Astrophysics Data System (ADS)

Ghirlando, Rodolfo; Mutskova, Radina; Schwartz, Chad

2016-01-01

Ferritin is a ubiquitous iron storage protein utilized as a nanomaterial for labeling biomolecules and nanoparticle construction. Commercially available preparations of horse spleen ferritin, widely used as a starting material, contain a distribution of ferritins with different iron loads. We describe a detailed approach to the enrichment of differentially loaded ferritin molecules by common biophysical techniques such as size exclusion chromatography and preparative ultracentrifugation, and characterize these preparations by dynamic light scattering, and analytical ultracentrifugation. We demonstrate a combination of methods to standardize an approach for determining the chemical load of nearly any particle, including nanoparticles and metal colloids. Purification and characterization of iron content in monodisperse ferritin species is particularly critical for several applications in nanomaterial science.

Characterizing SOI Wafers By Use Of AOTF-PHI

NASA Technical Reports Server (NTRS)

Cheng, Li-Jen; Li, Guann-Pyng; Zang, Deyu

1995-01-01

Developmental nondestructive method of characterizing layers of silicon-on-insulator (SOI) wafer involves combination of polarimetric hyperspectral imaging by use of acousto-optical tunable filters (AOTF-PHI) and computational resources for extracting pertinent data on SOI wafers from polarimetric hyperspectral images. Offers high spectral resolution and both ease and rapidity of optical-wavelength tuning. Further efforts to implement all of processing of polarimetric spectral image data in special-purpose hardware for sake of procesing speed. Enables characterization of SOI wafers in real time for online monitoring and adjustment of production. Also accelerates application of AOTF-PHI to other applications in which need for high-resolution spectral imaging, both with and without polarimetry.

Stochastic Characterization of Communication Network Latency for Wide Area Grid Control Applications.

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

Ameme, Dan Selorm Kwami; Guttromson, Ross

This report characterizes communications network latency under various network topologies and qualities of service (QoS). The characterizations are probabilistic in nature, allowing deeper analysis of stability for Internet Protocol (IP) based feedback control systems used in grid applications. The work involves the use of Raspberry Pi computers as a proxy for a controlled resource, and an ns-3 network simulator on a Linux server to create an experimental platform (testbed) that can be used to model wide-area grid control network communications in smart grid. Modbus protocol is used for information transport, and Routing Information Protocol is used for dynamic route selectionmore » within the simulated network.« less

The Chameleon Effect: Characterization Challenges Due to the Variability of Nanoparticles and Their Surfaces

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

Baer, Donald R.

Nanoparticles in a variety of forms are of increasing importance in fundamental research, technological and medical applications, and environmental or toxicology studies. Physical and chemical drivers that lead to multiple types of particle instabilities complicate both the ability to produce and consistently deliver well defined particles and their appropriate characterization, frequently leading to inconsistencies and conflicts in the published literature. This perspective suggests that provenance information, beyond that often recorded or reported, and application of a set of core characterization methods, including a surface sensitive technique, consistently applied at critical times can serve as tools in the effort minimize reproducibilitymore » issues.« less

Watershed characterization and analysis using the VELMA model

EPA Science Inventory

We developed a broadly applicable watershed simulator – VELMA (Visualizing Ecosystem and Land Management Assessments) – to characterize hydrological and ecological processes essential to the healthy functioning of watersheds, and to identify best management practices ...

Nanostructured cerium oxide: preparation, characterization, and application in energy and environmental catalysis

DOE PAGES

Tang, Wen-Xiang; Gao, Pu-Xian

2016-11-10

Nanostructured cerium oxide (CeO 2) with outstanding physical and chemical properties has attracted extensive interests over the past few decades in environment and energy-related applications. With controllable synthesis of nanostructured CeO 2, much more features were technologically brought out from defect chemistry to structure-derived effects. This paper highlights recent progress on the synthesis and characterization of nanostructured ceria-based materials as well as the traditional and new applications. Specifically, several typical applications based on the desired ceria nanostructures are focused to showcase the importance of nanostructure-derived effects. Moreover, some challenges and perspectives on the nanostructured ceria are presented, such as defectsmore » controlling and retainment, scale-up fabrication, and monolithic devices. Hopefully, this paper can provide an improved understanding of nanostructured CeO 2 and offer new opportunities to promote the further research and applications in the future.« less

Delayed Gamma-ray Spectroscopy for Safeguards Applications

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

Mozin, Vladimir

The delayed gamma-ray assay technique utilizes an external neutron source (D-D, D-T, or electron accelerator-driven), and high-resolution gamma-ray spectrometers to perform characterization of SNM materials behind shielding and in complex configurations such as a nuclear fuel assembly. High-energy delayed gamma-rays (2.5 MeV and above) observed following the active interrogation, provide a signature for identification of specific fissionable isotopes in a mixed sample, and determine their relative content. Potential safeguards applications of this method are: 1) characterization of fresh and spent nuclear fuel assemblies in wet or dry storage; 2) analysis of uranium enrichment in shielded or non-characterized containers or inmore » the presence of a strong radioactive background and plutonium contamination; 3) characterization of bulk and waste and product streams at SNM processing plants. Extended applications can include warhead confirmation and warhead dismantlement confirmation in the arms control area, as well as SNM diagnostics for the emergency response needs. In FY16 and prior years, the project has demonstrated the delayed gamma-ray measurement technique as a robust SNM assay concept. A series of empirical and modeling studies were conducted to characterize its response sensitivity, develop analysis methodologies, and analyze applications. Extensive experimental tests involving weapons-grade Pu, HEU and depleted uranium samples were completed at the Idaho Accelerator Center and LLNL Dome facilities for various interrogation time regimes and effects of the neutron source parameters. A dedicated delayed gamma-ray response modeling technique was developed and its elements were benchmarked in representative experimental studies, including highresolution gamma-ray measurements of spent fuel at the CLAB facility in Sweden. The objective of the R&D effort in FY17 is to experimentally demonstrate the feasibility of the delayed gamma-ray interrogation of shielded SNM samples with portable neutron sources suitable for field applications.« less

Initial Assessment of X-Ray Computer Tomography image analysis for material defect microstructure

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

Kane, Joshua James; Windes, William Enoch

2016-06-01

The original development work leading to this report was focused on the non destructive three-dimensional (3-D) characterization of nuclear graphite as a means to better understand the nature of the inherent pore structure. The pore structure of graphite and its evolution under various environmental factors such as irradiation, mechanical stress, and oxidation plays an important role in their observed properties and characteristics. If we are to transition from an empirical understanding of graphite behavior to a truly predictive mechanistic understanding the pore structure must be well characterized and understood. As the pore structure within nuclear graphite is highly interconnected andmore » truly 3-D in nature, 3-D characterization techniques are critical. While 3-D characterization has been an excellent tool for graphite pore characterization, it is applicable to a broad number of materials systems over many length scales. Given the wide range of applications and the highly quantitative nature of the tool, it is quite surprising to discover how few materials researchers understand and how valuable of a tool 3-D image processing and analysis can be. Ultimately, this report is intended to encourage broader use of 3 D image processing and analysis in materials science and engineering applications, more specifically nuclear-related materials applications, by providing interested readers with enough familiarity to explore its vast potential in identifying microstructure changes. To encourage this broader use, the report is divided into two main sections. Section 2 provides an overview of some of the key principals and concepts needed to extract a wide variety of quantitative metrics from a 3-D representation of a material microstructure. The discussion includes a brief overview of segmentation methods, connective components, morphological operations, distance transforms, and skeletonization. Section 3 focuses on the application of concepts from Section 2 to relevant materials at Idaho National Laboratory. In this section, image analysis examples featuring nuclear graphite will be discussed in detail. Additionally, example analyses from Transient Reactor Test Facility low-enriched uranium conversion, Advanced Gas Reactor like compacts, and tristructural isotopic particles are shown to give a broader perspective of the applicability to relevant materials of interest.« less

SCaLeM: A Framework for Characterizing and Analyzing Execution Models

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

Chavarría-Miranda, Daniel; Manzano Franco, Joseph B.; Krishnamoorthy, Sriram

2014-10-13

As scalable parallel systems evolve towards more complex nodes with many-core architectures and larger trans-petascale & upcoming exascale deployments, there is a need to understand, characterize and quantify the underlying execution models being used on such systems. Execution models are a conceptual layer between applications & algorithms and the underlying parallel hardware and systems software on which those applications run. This paper presents the SCaLeM (Synchronization, Concurrency, Locality, Memory) framework for characterizing and execution models. SCaLeM consists of three basic elements: attributes, compositions and mapping of these compositions to abstract parallel systems. The fundamental Synchronization, Concurrency, Locality and Memory attributesmore » are used to characterize each execution model, while the combinations of those attributes in the form of compositions are used to describe the primitive operations of the execution model. The mapping of the execution model’s primitive operations described by compositions, to an underlying abstract parallel system can be evaluated quantitatively to determine its effectiveness. Finally, SCaLeM also enables the representation and analysis of applications in terms of execution models, for the purpose of evaluating the effectiveness of such mapping.« less

Fabrication and characterization of SU-8-based capacitive micromachined ultrasonic transducer for airborne applications

NASA Astrophysics Data System (ADS)

Joseph, Jose; Singh, Shiv Govind; Vanjari, Siva Rama Krishna

2018-01-01

We present a successful fabrication and characterization of a capacitive micromachined ultrasonic transducer (CMUT) with SU-8 as the membrane material. The goal of this research is to develop a post-CMOS compatible CMUT that can be monolithically integrated with the CMOS circuitry. The fabrication is based on a simple, three mask process, with all wet etching steps involved so that the device can be realized with minimal laboratory conditions. The maximum temperature involved in the whole process flow was 140°C, and hence, it is post-CMOS compatible. The fabricated device exhibited a resonant frequency of 835 kHz with bandwidth 62 kHz, when characterized in air. The pull-in and snapback characteristics of the device were analyzed. The influence of membrane radius on the center frequency and bandwidth was also experimentally evaluated by fabricating CMUTs with membrane radius varying from 30 to 54 μm with an interval of 4 μm. These devices were vibrating at frequencies from 5.2 to 1.8 MHz with an average Q-factor of 23.41. Acoustic characterization of the fabricated devices was performed in air, demonstrating the applicability of SU-8 CMUTs in airborne applications.

Applications of UV/Vis Spectroscopy in Characterization and Catalytic Activity of Noble Metal Nanoparticles Fabricated in Responsive Polymer Microgels: A Review.

PubMed

Begum, Robina; Farooqi, Zahoor H; Naseem, Khalida; Ali, Faisal; Batool, Madeeha; Xiao, Jianliang; Irfan, Ahmad

2018-11-02

Noble metal nanoparticles loaded smart polymer microgels have gained much attention due to fascinating combination of their properties in a single system. These hybrid systems have been extensively used in biomedicines, photonics, and catalysis. Hybrid microgels are characterized by using various techniques but UV/Vis spectroscopy is an easily available technique for characterization of noble metal nanoparticles loaded microgels. This technique is widely used for determination of size and shape of metal nanoparticles. The tuning of optical properties of noble metal nanoparticles under various stimuli can be studied using UV/Vis spectroscopic method. Time course UV/Vis spectroscopy can also be used to monitor the kinetics of swelling and deswelling of microgels and hybrid microgels. Growth of metal nanoparticles in polymeric network or growth of polymeric network around metal nanoparticle core can be studied by using UV/Vis spectroscopy. This technique can also be used for investigation of various applications of hybrid materials in catalysis, photonics, and sensing. This tutorial review describes the uses of UV/Vis spectroscopy in characterization and catalytic applications of responsive hybrid microgels with respect to recent research progress in this area.

A Retrospective Evaluation of the Use of Mass Spectrometry in FDA Biologics License Applications

NASA Astrophysics Data System (ADS)

Rogstad, Sarah; Faustino, Anneliese; Ruth, Ashley; Keire, David; Boyne, Michael; Park, Jun

2017-05-01

The characterization sections of biologics license applications (BLAs) approved by the United States Food and Drug Administration (FDA) between 2000 and 2015 were investigated to examine the extent of the use of mass spectrometry. Mass spectrometry was found to be integral to the characterization of these biotherapeutics. Of the 80 electronically submitted monoclonal antibody and protein biotherapeutic BLAs included in this study, 79 were found to use mass spectrometric workflows for protein or impurity characterization. To further examine how MS is being used in successful BLAs, the applications were filtered based on the type and number of quality attributes characterized, the mass spectrometric workflows used (peptide mapping, intact mass analysis, and cleaved glycan analysis), the methods used to introduce the proteins into the gas phase (ESI, MALDI, or LC-ESI), and the specific types of instrumentation used. Analyses were conducted over a time course based on the FDA BLA approval to determine if any trends in utilization could be observed over time. Additionally, the different classes of protein-based biotherapeutics among the approved BLAs were clustered to determine if any trends could be attributed to the specific type of biotherapeutic.

Mathematical investigations of branch length similarity entropy profiles of shapes for various resolutions

NASA Astrophysics Data System (ADS)

Jeon, Wonju; Lee, Sang-Hee

2012-12-01

In our previous study, we defined the branch length similarity (BLS) entropy for a simple network consisting of a single node and numerous branches. As the first application of this entropy to characterize shapes, the BLS entropy profiles of 20 battle tank shapes were calculated from simple networks created by connecting pixels in the boundary of the shape. The profiles successfully characterized the tank shapes through a comparison of their BLS entropy profiles. Following the application, this entropy was used to characterize human's emotional faces, such as happiness and sad, and to measure the degree of complexity for termite tunnel networks. These applications indirectly indicate that the BLS entropy profile can be a useful tool to characterize networks and shapes. However, the ability of the BLS entropy in the characterization depends on the image resolution because the entropy is determined by the number of nodes for the boundary of a shape. Higher resolution means more nodes. If the entropy is to be widely used in the scientific community, the effect of the resolution on the entropy profile should be understood. In the present study, we mathematically investigated the BLS entropy profile of a shape with infinite resolution and numerically investigated the variation in the pattern of the entropy profile caused by changes in the resolution change in the case of finite resolution.

Intermixing optical and microwave signals in GaAs microstrip circuits for phase-locking applications

NASA Astrophysics Data System (ADS)

Li, Ming G.; Chauchard, Eve A.; Lee, Chi H.; Hung, Hing-Loi A.

1990-12-01

The microwave modulation of the interference generated by optical beams that are reflected from the top and bottom surfaces of GaAs substrate adjacent to a microstrip line is studied. The detected modulation is used to directly characterize the electrooptic effect. This optical-microwave intermixing technique is applied to phase-lock a free-running microwave oscillator with picosecond laser pulses. One potential application of this technique is for the optical on-wafer characterization of MMICs.

Electro-Optical Sensing Apparatus and Method for Characterizing Free-Space Electromagnetic Radiation

DOEpatents

Zhang, Xi-Cheng; Libelo, Louis Francis; Wu, Qi

1999-09-14

Apparatus and methods for characterizing free-space electromagnetic energy, and in particular, apparatus/method suitable for real-time two-dimensional far-infrared imaging applications are presented. The sensing technique is based on a non-linear coupling between a low-frequency electric field and a laser beam in an electro-optic crystal. In addition to a practical counter-propagating sensing technique, a co-linear approach is described which provides longer radiated field--optical beam interaction length, thereby making imaging applications practical.

Characterization of Al 2219 material for the application of the spin-forming-process

NASA Astrophysics Data System (ADS)

Mueller-Wiesner, D.; Sieger, E.; Ernsberger, K.

1991-10-01

The shells of the propellant tanks of the Ariane 5 EPS stage are to be manufactured by the spin forming process. The material for the shells (hemispheres) is the aluminum alloy 2219. By a material characterization program optimized parameters for the application of the forming process starting from different material conditions (T31 temper and '0' condition) are determined. Based on the results of this program it was decided to start spin forming in the '0' condition for flight hardware.

METHODS FOR MULTI-SPATIAL SCALE CHARACTERIZATION OF RIPARIAN CORRIDORS

EPA Science Inventory

This paper describes the application of aerial photography and GIS technology to develop flexible and transferable methods for multi-spatial scale characterization and analysis of riparian corridors. Relationships between structural attributes of riparian corridors and indicator...

Portable image analysis system for characterizing aggregate morphology.

DOT National Transportation Integrated Search

2008-01-01

In the last decade, the application of image-based evaluation of particle shape, angularity and texture has been widely researched to characterize aggregate morphology. These efforts have been driven by the knowledge that the morphologic characterist...

Multiscale Structure of UXO Site Characterization: Spatial Estimation and Uncertainty Quantification

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

Ostrouchov, George; Doll, William E.; Beard, Les P.

2009-01-01

Unexploded ordnance (UXO) site characterization must consider both how the contamination is generated and how we observe that contamination. Within the generation and observation processes, dependence structures can be exploited at multiple scales. We describe a conceptual site characterization process, the dependence structures available at several scales, and consider their statistical estimation aspects. It is evident that most of the statistical methods that are needed to address the estimation problems are known but their application-specific implementation may not be available. We demonstrate estimation at one scale and propose a representation for site contamination intensity that takes full account of uncertainty,more » is flexible enough to answer regulatory requirements, and is a practical tool for managing detailed spatial site characterization and remediation. The representation is based on point process spatial estimation methods that require modern computational resources for practical application. These methods have provisions for including prior and covariate information.« less

Development of Si(1-x)Ge(x) technology for microwave sensing applications

NASA Technical Reports Server (NTRS)

Mena, Rafael A.; Taub, Susan R.; Alterovitz, Samuel A.; Young, Paul E.; Simons, Rainee N.; Rosenfeld, David

1993-01-01

The progress for the first year of the work done under the Director's Discretionary Fund (DDF) research project entitled, 'Development of Si(1-x)Ge(x) Technology for Microwave Sensing Applications.' This project includes basic material characterization studies of silicon-germanium (SiGe), device processing on both silicon (Si) and SiGe substrates, and microwave characterization of transmission lines on silicon substrates. The material characterization studies consisted of ellipsometric and magneto-transport measurements and theoretical calculations of the SiGe band-structure. The device fabrication efforts consisted of establishing SiGe device processing capabilities in the Lewis cleanroom. The characterization of microwave transmission lines included studying the losses of various coplanar transmission lines and the development of transitions on silicon. Each part of the project is discussed individually and the findings for each part are presented. Future directions are also discussed.

Characterization of Custom-Designed Charge-Coupled Devices for Applications to Gas and Aerosol Monitoring Sensorcraft Instrument

NASA Technical Reports Server (NTRS)

Refaat, Tamer F.; Abedin, M. Nurul; Farnsworth, Glenn R.; Garcia, Christopher S.; Zawodny, Joseph M.

2005-01-01

Custom-designed charge-coupled devices (CCD) for Gas and Aerosols Monitoring Sensorcraft instrument were developed. These custom-designed CCD devices are linear arrays with pixel format of 512x1 elements and pixel size of 10x200 sq m. These devices were characterized at NASA Langley Research Center to achieve a full well capacity as high as 6,000,000 e-. This met the aircraft flight mission requirements in terms of signal-to-noise performance and maximum dynamic range. Characterization and analysis of the electrical and optical properties of the CCDs were carried out at room temperature. This includes measurements of photon transfer curves, gain coefficient histograms, read noise, and spectral response. Test results obtained on these devices successfully demonstrated the objectives of the aircraft flight mission. In this paper, we describe the characterization results and also discuss their applications to future mission.

Applications Of Graphite Fluoride Fibers In Outer Space

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheng; Long, Martin; Dever, Therese

1993-01-01

Report characterizes graphite fluoride fibers made from commercially available graphitized carbon fibers and discusses some potential applications of graphite fluoride fibers in outer space. Applications include heat-sinking printed-circuit boards, solar concentrators, and absorption of radar waves. Other applications based on exploitation of increased resistance to degradation by atomic oxygen, present in low orbits around Earth.

Using NASA Using Remote Sensing in Public Health Applications

NASA Technical Reports Server (NTRS)

Estes, Sue; Haynes, John

2011-01-01

The Public Health application area focuses on Earth science applications to public health and safety, particularly regarding infectious disease, emergency preparedness and response, and environmental health issues. The application explores issues of toxic and pathogenic exposure, as well as natural and man-made hazards and their effects, for risk characterization/mitigation and improvements to health and safety.

Pesticide Applicator Profiling: Using Polycom[R] Distance Delivery for Continuing Education and Characterizing Florida's Licensed Applicators

ERIC Educational Resources Information Center

Fishel, Fred; Langeland, Ken

2011-01-01

The University of Florida offers continuing education units (CEUs) via distance technology using Polycom[R] to meet requirements for applicators of pesticides to renew their licenses. A large statewide event conducted in 2010 also included a needs assessment of this group concerning CEUs. Results indicate that these applicators strongly prefer…

78 FR 24107 - Version 5 Critical Infrastructure Protection Reliability Standards

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-24

... native applications or print-to-PDF format and not a scanned format. Mail/Hand Delivery: Those unable to... criteria that characterize their impact for the application of cyber security requirements commensurate... recognition. Requirement R2 requires testing to verify response plan effectiveness and consistent application...

Homeland Security and Defense Applications

ScienceCinema

None

2018-01-16

Homeland Security and Defense Applications personnel are the best in the world at detecting and locating dirty bombs, loose nukes, and other radiological sources. The site trains the Nation's emergency responders, who would be among the first to confront a radiological or nuclear emergency. Homeland Security and Defense Applications highly training personnel, characterize the threat environment, produce specialized radiological nuclear detection equipment, train personnel on the equipment and its uses, test and evaluate the equipment, and develop different kinds of high-tech equipment to defeat terrorists. In New York City for example, NNSS scientists assisted in characterizing the radiological nuclear environment after 9/11, and produced specialized radiological nuclear equipment to assist local officials in their Homeland Security efforts.

SULFATE REDUCTION IN GROUNDWATER: CHARACTERIZATION AND APPLICATIONS FOR REMEDIATION

PubMed Central

Miao, Z.; Brusseau, M. L.; Carroll, K. C.; Carreón-Diazconti, C.; Johnson, B.

2013-01-01

Sulfate is ubiquitous in groundwater, with both natural and anthropogenic sources. Sulfate reduction reactions play a significant role in mediating redox conditions and biogeochemical processes for subsurface systems. They also serve as the basis for innovative in-situ methods for groundwater remediation. An overview of sulfate reduction in subsurface environments is provided, along with a brief discussion of characterization methods and applications for addressing acid mine drainage. We then focus on two innovative, in-situ methods for remediating sulfate-contaminated groundwater, the use of zero-valent iron (ZVI) and the addition of electron-donor substrates. The advantages and limitations associated with the methods are discussed, with examples of prior applications. PMID:21947714

Synthesis and characterization of magnesium doped cerium oxide for the fuel cell application

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

Kumar, Amit; Kumari, Monika; Kumar, Mintu

2016-05-06

Cerium oxide has attained much attentions in global nanotechnology market due to valuable application for catalytic, fuel additive, and widely as electrolyte in solid oxide fuel cell. Doped cerium oxide has large oxygen vacancies that allow for greater reactivity and faster ion transport. These properties make cerium oxide suitable material for SOFCs application. Cerium oxide electrolyte requires lower operation temperature which shows improvement in processing and the fabrication technique. In our work, we synthesized magnesium doped cerium oxide by the co-precipitation method. With the magnesium doping catalytic reactivity of CeO{sub 2} was increased. Synthesized nanoparticle were characterized by the XRDmore » and UV absorption techniques.« less

Theoretical and experimental research in space photovoltaics

NASA Technical Reports Server (NTRS)

Faur, Mircea; Faur, Maria

1995-01-01

Theoretical and experimental research is outlined for indium phosphide solar cells, other solar cells for space applications, fabrication and performance measurements of shallow homojunction InP solar cells for space applications, improved processing steps and InP material characterization with applications to fabrication of high efficiency radiation resistant InP solar cells and other opto-electronic InP devices, InP solar cells fabricated by thermal diffusion, experiment-based predicted high efficiency solar cells fabricated by closed-ampoule thermal diffusion, radiation resistance of diffused junction InP solar cells, chemical and electrochemical characterization and processing of InP diffused structures and solar cells, and progress in p(+)n InP diffused solar cells.

Atmospheric-pressure plasma jet characterization and applications on melanoma cancer treatment (B/16-F10)

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

Mashayekh, Shahriar; Rajaee, Hajar; Hassan, Zuhir M.

2015-09-15

A new approach in medicine is the use of cold plasma for various applications such as sterilization blood coagulation and cancer cell treatment. In this paper, a pin-to-hole plasma jet for biological applications has been designed and manufactured and characterized. The characterization includes power consumption via Lissajous method, thermal behavior of atmospheric-pressure plasma jet by using Infra-red camera as a novel method and using Speicair software to determine vibrational and transitional temperatures, and optical emission spectroscopy to determine the generated species. Treatment of Melanoma cancer cells (B16/F10) was also implemented, and tetrazolium salt dye (MTT assay) and flow cytometry weremore » used to evaluate viability. Effect of ultraviolet photons on cancerous cells was also observed using an MgF{sub 2} crystal with MTT assay. Finally, in-vivo studies on C57 type mice were also done in order to have a better understanding of the effects in real conditions.« less

Examination of time-reversal acoustics in shallow water and applications to noncoherent underwater communications.

PubMed

Smith, Kevin B; Abrantes, Antonio A M; Larraza, Andres

2003-06-01

The shallow water acoustic communication channel is characterized by strong signal degradation caused by multipath propagation and high spatial and temporal variability of the channel conditions. At the receiver, multipath propagation causes intersymbol interference and is considered the most important of the channel distortions. This paper examines the application of time-reversal acoustic (TRA) arrays, i.e., phase-conjugated arrays (PCAs), that generate a spatio-temporal focus of acoustic energy at the receiver location, eliminating distortions introduced by channel propagation. This technique is self-adaptive and automatically compensates for environmental effects and array imperfections without the need to explicitly characterize the environment. An attempt is made to characterize the influences of a PCA design on its focusing properties with particular attention given to applications in noncoherent underwater acoustic communication systems. Due to the PCA spatial diversity focusing properties, PC arrays may have an important role in an acoustic local area network. Each array is able to simultaneously transmit different messages that will focus only at the destination receiver node.

Small-Molecule Binding Aptamers: Selection Strategies, Characterization, and Applications

PubMed Central

Ruscito, Annamaria; DeRosa, Maria C.

2016-01-01

Aptamers are single-stranded, synthetic oligonucleotides that fold into 3-dimensional shapes capable of binding non-covalently with high affinity and specificity to a target molecule. They are generated via an in vitro process known as the Systematic Evolution of Ligands by EXponential enrichment, from which candidates are screened and characterized, and then used in various applications. These applications range from therapeutic uses to biosensors for target detection. Aptamers for small molecule targets such as toxins, antibiotics, molecular markers, drugs, and heavy metals will be the focus of this review. Their accurate detection is needed for the protection and wellbeing of humans and animals. However, the small molecular weights of these targets, including the drastic size difference between the target and the oligonucleotides, make it challenging to select, characterize, and apply aptamers for their detection. Thus, recent (since 2012) notable advances in small molecule aptamers, which have overcome some of these challenges, are presented here, while defining challenges that still exist are discussed. PMID:27242994

Development of method to characterize emissions from spray polyurethane foam insulation

EPA Science Inventory

This presentation updates symposium participants re EPA progress towards development of SPF insulation emissions characterization methods. The presentation highlights evaluation of experiments investigating emissions after application of SPF to substrates in micro chambers and i...

Role of Imaging Specrometer Data for Model-based Cross-calibration of Imaging Sensors

NASA Technical Reports Server (NTRS)

Thome, Kurtis John

2014-01-01

Site characterization benefits from imaging spectrometry to determine spectral bi-directional reflectance of a well-understood surface. Cross calibration approaches, uncertainties, role of imaging spectrometry, model-based site characterization, and application to product validation.

A Review of Interface Electronic Systems for AT-cut Quartz Crystal Microbalance Applications in Liquids

PubMed Central

Arnau, Antonio

2008-01-01

From the first applications of AT-cut quartz crystals as sensors in solutions more than 20 years ago, the so-called quartz crystal microbalance (QCM) sensor is becoming into a good alternative analytical method in a great deal of applications such as biosensors, analysis of biomolecular interactions, study of bacterial adhesion at specific interfaces, pathogen and microorganism detection, study of polymer film-biomolecule or cell-substrate interactions, immunosensors and an extensive use in fluids and polymer characterization and electrochemical applications among others. The appropriate evaluation of this analytical method requires recognizing the different steps involved and to be conscious of their importance and limitations. The first step involved in a QCM system is the accurate and appropriate characterization of the sensor in relation to the specific application. The use of the piezoelectric sensor in contact with solutions strongly affects its behavior and appropriate electronic interfaces must be used for an adequate sensor characterization. Systems based on different principles and techniques have been implemented during the last 25 years. The interface selection for the specific application is important and its limitations must be known to be conscious of its suitability, and for avoiding the possible error propagation in the interpretation of results. This article presents a comprehensive overview of the different techniques used for AT-cut quartz crystal microbalance in in-solution applications, which are based on the following principles: network or impedance analyzers, decay methods, oscillators and lock-in techniques. The electronic interfaces based on oscillators and phase-locked techniques are treated in detail, with the description of different configurations, since these techniques are the most used in applications for detection of analytes in solutions, and in those where a fast sensor response is necessary. PMID:27879713

Self-discharge analysis and characterization of supercapacitors for environmentally powered wireless sensor network applications

NASA Astrophysics Data System (ADS)

Yang, Hengzhao; Zhang, Ying

2011-10-01

A new approach is presented to characterize the variable leakage resistance, a parameter in the variable leakage resistance model we developed to model supercapacitors used in environmentally powered wireless sensor network applications. Based on an analysis of the supercapacitor terminal behavior during the self-discharge, the variable leakage resistance is modeled as a function of the supercapacitor terminal voltage instead of the self-discharge time, which is more practical for an environmentally powered wireless sensor node. The new characterization approach is implemented and validated using MATLAB Simulink with a 10 F supercapacitor as an example. In addition, effects of initial voltages and temperatures on the supercapacitor self-discharge rate and the variable leakage resistance value are explored.

Principle, system, and applications of tip-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, MingQian; Wang, Rui; Wu, XiaoBin; Wang, Jia

2012-08-01

Raman spectroscopy is a powerful technique in chemical information characterization. However, this spectral method is subject to two obstacles in nano-material detection. One is diffraction limited spatial resolution, and the other is its inherent small Raman cross section and weak signaling. To resolve these problems, a new approach has been developed, denoted as tip-enhanced Raman spectroscopy (TERS). TERS is capable of high-resolution and high-sensitivity detection and demonstrated to be a promising spectroscopic and micro-topographic method to characterize nano-materials and nanostructures. In this paper, the principle and experimental system of TERS are discussed. The latest application of TERS in molecule detection, biological specimen identification, nanao-material characterization, and semi-conductor material determination with some specific experimental examples are presented.

Statistical analysis of field data for aircraft warranties

NASA Astrophysics Data System (ADS)

Lakey, Mary J.

Air Force and Navy maintenance data collection systems were researched to determine their scientific applicability to the warranty process. New and unique algorithms were developed to extract failure distributions which were then used to characterize how selected families of equipment typically fails. Families of similar equipment were identified in terms of function, technology and failure patterns. Statistical analyses and applications such as goodness-of-fit test, maximum likelihood estimation and derivation of confidence intervals for the probability density function parameters were applied to characterize the distributions and their failure patterns. Statistical and reliability theory, with relevance to equipment design and operational failures were also determining factors in characterizing the failure patterns of the equipment families. Inferences about the families with relevance to warranty needs were then made.

Polydimethylsiloxane films doped with NdFeB powder: magnetic characterization and potential applications in biomedical engineering and microrobotics.

PubMed

Iacovacci, V; Lucarini, G; Innocenti, C; Comisso, N; Dario, P; Ricotti, L; Menciassi, A

2015-12-01

This work reports the fabrication, magnetic characterization and controlled navigation of film-shaped microrobots consisting of a polydimethylsiloxane-NdFeB powder composite material. The fabrication process relies on spin-coating deposition, powder orientation and permanent magnetization. Films with different powder concentrations (10 %, 30 %, 50 % and 70 % w/w) were fabricated and characterized in terms of magnetic properties and magnetic navigation performances (by exploiting an electromagnet-based platform). Standardized data are provided, thus enabling the exploitation of these composite materials in a wide range of applications, from MEMS/microrobot development to biomedical systems. Finally, the possibility to microfabricate free-standing polymeric structures and the biocompatibility of the proposed composite materials is demonstrated.

Nanomaterial Dispersion/Dissolution Characterization: Scientific Operating Procedure SOP-F-1

DTIC Science & Technology

2016-05-01

ER D C/ EL S R- 16 -1 Environmental Consequences of Nanotechnologies Nanomaterial Dispersion/Dissolution Characterization Scientific...Nanotechnologies ERDC/EL SR-16-1 May 2016 Nanomaterial Dispersion/Dissolution Characterization Scientific Operating Procedure SOP-F-1 Lesley Miller...diagnostic application. While microscopy represents the only available method for measuring particle size, this is very labor intensive and prone to

Programmable Triplet Formation and Decay in Metal-Organic Chromophores

DTIC Science & Technology

2011-12-13

potential applications in optical limiting molecules has resulted in the synthesis and characterization of many new classes of chromophores in...Castellano, F.N. Inorg. Chem. 2006, 45, 4304-4306. Inorganic Chemistry Cover May 29, 2006. The synthesis , structural characterization, and...The synthesis , photophysics, electronic structure, and electrochemical characterization of 4′-tert- butylacetylene-2,2′:6′,2″-terpyridineplatinum(II

Characterization of Metakaolin-Based Geopolymer (Briefing chart)

DTIC Science & Technology

2014-08-31

High Strain Rate Dynamic Characterization of Metakaolin and Fly Ash Bsed Geopolymers for Structural Applications The concrete community has...mechanical properties and microstructure of metakaolin geopolymer , obtain the static properties of metakaolin geopolymer for high strain rate Hopkinson...U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Metakaolin, fly ash, geopolymer , characterization, high strain rate

Electromagnetic diagnostic techniques for hypervelocity projectile detection, velocity measurement, and size characterization: Theoretical concept and first experimental test

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

Uhlig, W. Casey; Heine, Andreas, E-mail: andreas.heine@emi.fraunhofer.de

2015-11-14

A new measurement technique is suggested to augment the characterization and understanding of hypervelocity projectiles before impact. The electromagnetic technique utilizes magnetic diffusion principles to detect particles, measure velocity, and indicate relative particle dimensions. It is particularly suited for detection of small particles that may be difficult to track utilizing current characterization methods, such as high-speed video or flash radiography but can be readily used for large particle detection, where particle spacing or location is not practical for other measurement systems. In this work, particles down to 2 mm in diameter have been characterized while focusing on confining the detection signalmore » to enable multi-particle characterization with limited particle-to-particle spacing. The focus of the paper is on the theoretical concept and the analysis of its applicability based on analytical and numerical calculation. First proof-of-principle experimental tests serve to further validate the method. Some potential applications are the characterization of particles from a shaped-charge jet after its break-up and investigating debris in impact experiments to test theoretical models for the distribution of particles size, number, and velocity.« less

Low-energy transmission electron diffraction and imaging of large-area graphene

PubMed Central

Zhao, Wei; Xia, Bingyu; Lin, Li; Xiao, Xiaoyang; Liu, Peng; Lin, Xiaoyang; Peng, Hailin; Zhu, Yuanmin; Yu, Rong; Lei, Peng; Wang, Jiangtao; Zhang, Lina; Xu, Yong; Zhao, Mingwen; Peng, Lianmao; Li, Qunqing; Duan, Wenhui; Liu, Zhongfan; Fan, Shoushan; Jiang, Kaili

2017-01-01

Two-dimensional (2D) materials have attracted interest because of their excellent properties and potential applications. A key step in realizing industrial applications is to synthesize wafer-scale single-crystal samples. Until now, single-crystal samples, such as graphene domains up to the centimeter scale, have been synthesized. However, a new challenge is to efficiently characterize large-area samples. Currently, the crystalline characterization of these samples still relies on selected-area electron diffraction (SAED) or low-energy electron diffraction (LEED), which is more suitable for characterizing very small local regions. This paper presents a highly efficient characterization technique that adopts a low-energy electrostatically focused electron gun and a super-aligned carbon nanotube (SACNT) film sample support. It allows rapid crystalline characterization of large-area graphene through a single photograph of a transmission-diffracted image at a large beam size. Additionally, the low-energy electron beam enables the observation of a unique diffraction pattern of adsorbates on the suspended graphene at room temperature. This work presents a simple and convenient method for characterizing the macroscopic structures of 2D materials, and the instrument we constructed allows the study of the weak interaction with 2D materials. PMID:28879233

Low-energy transmission electron diffraction and imaging of large-area graphene.

PubMed

Zhao, Wei; Xia, Bingyu; Lin, Li; Xiao, Xiaoyang; Liu, Peng; Lin, Xiaoyang; Peng, Hailin; Zhu, Yuanmin; Yu, Rong; Lei, Peng; Wang, Jiangtao; Zhang, Lina; Xu, Yong; Zhao, Mingwen; Peng, Lianmao; Li, Qunqing; Duan, Wenhui; Liu, Zhongfan; Fan, Shoushan; Jiang, Kaili

2017-09-01

Two-dimensional (2D) materials have attracted interest because of their excellent properties and potential applications. A key step in realizing industrial applications is to synthesize wafer-scale single-crystal samples. Until now, single-crystal samples, such as graphene domains up to the centimeter scale, have been synthesized. However, a new challenge is to efficiently characterize large-area samples. Currently, the crystalline characterization of these samples still relies on selected-area electron diffraction (SAED) or low-energy electron diffraction (LEED), which is more suitable for characterizing very small local regions. This paper presents a highly efficient characterization technique that adopts a low-energy electrostatically focused electron gun and a super-aligned carbon nanotube (SACNT) film sample support. It allows rapid crystalline characterization of large-area graphene through a single photograph of a transmission-diffracted image at a large beam size. Additionally, the low-energy electron beam enables the observation of a unique diffraction pattern of adsorbates on the suspended graphene at room temperature. This work presents a simple and convenient method for characterizing the macroscopic structures of 2D materials, and the instrument we constructed allows the study of the weak interaction with 2D materials.

File-System Workload on a Scientific Multiprocessor

NASA Technical Reports Server (NTRS)

Kotz, David; Nieuwejaar, Nils

1995-01-01

Many scientific applications have intense computational and I/O requirements. Although multiprocessors have permitted astounding increases in computational performance, the formidable I/O needs of these applications cannot be met by current multiprocessors a their I/O subsystems. To prevent I/O subsystems from forever bottlenecking multiprocessors and limiting the range of feasible applications, new I/O subsystems must be designed. The successful design of computer systems (both hardware and software) depends on a thorough understanding of their intended use. A system designer optimizes the policies and mechanisms for the cases expected to most common in the user's workload. In the case of multiprocessor file systems, however, designers have been forced to build file systems based only on speculation about how they would be used, extrapolating from file-system characterizations of general-purpose workloads on uniprocessor and distributed systems or scientific workloads on vector supercomputers (see sidebar on related work). To help these system designers, in June 1993 we began the Charisma Project, so named because the project sought to characterize 1/0 in scientific multiprocessor applications from a variety of production parallel computing platforms and sites. The Charisma project is unique in recording individual read and write requests-in live, multiprogramming, parallel workloads (rather than from selected or nonparallel applications). In this article, we present the first results from the project: a characterization of the file-system workload an iPSC/860 multiprocessor running production, parallel scientific applications at NASA's Ames Research Center.

On Characterizing Particle Shape

NASA Technical Reports Server (NTRS)

Ennis, Bryan J.; Rickman, Douglas; Rollins, A. Brent; Ennis, Brandon

2014-01-01

It is well known that particle shape affects flow characteristics of granular materials, as well as a variety of other solids processing issues such as compaction, rheology, filtration and other two-phase flow problems. The impact of shape crosses many diverse and commercially important applications, including pharmaceuticals, civil engineering, metallurgy, health, and food processing. Two applications studied here include the dry solids flow of lunar simulants (e.g. JSC-1, NU-LHT-2M, OB-1), and the flow properties of wet concrete, including final compressive strength. A multi-dimensional generalized, engineering method to quantitatively characterize particle shapes has been developed, applicable to both single particle orientation and multi-particle assemblies. The two-dimension, three dimension inversion problem is also treated, and the application of these methods to DEM model particles will be discussed. In the case of lunar simulants, flow properties of six lunar simulants have been measured, and the impact of particle shape on flowability - as characterized by the shape method developed here -- is discussed, especially in the context of three simulants of similar size range. In the context of concrete processing, concrete construction is a major contributor to greenhouse gas production, of which the major contributor is cement binding loading. Any optimization in concrete rheology and packing that can reduce cement loading and improve strength loading can also reduce currently required construction safety factors. The characterization approach here is also demonstrated for the impact of rock aggregate shape on concrete slump rheology and dry compressive strength.

Spray Deposition and Drift Characteristics of a Low Drift Nozzle for Aerial Application at Different Application Altitudes

USDA-ARS?s Scientific Manuscript database

A complex interaction of controllable and uncontrollable factors is involved in aerial application of crop production and protection materials. Although it is difficult to completely characterize spray deposition and drift, these important factors can be estimated with appropriate sampling protocol ...

System Quality Characteristics for Selecting Mobile Learning Applications

ERIC Educational Resources Information Center

Sarrab, Mohamed; Al-Shihi, Hafedh; Al-Manthari, Bader

2015-01-01

The majority of M-learning (Mobile learning) applications available today are developed for the formal learning and education environment. These applications are characterized by the improvement in the interaction between learners and instructors to provide high interaction and flexibility to the learning process. M-learning is gaining increased…

Power-constrained supercomputing

NASA Astrophysics Data System (ADS)

Bailey, Peter E.

As we approach exascale systems, power is turning from an optimization goal to a critical operating constraint. With power bounds imposed by both stakeholders and the limitations of existing infrastructure, achieving practical exascale computing will therefore rely on optimizing performance subject to a power constraint. However, this requirement should not add to the burden of application developers; optimizing the runtime environment given restricted power will primarily be the job of high-performance system software. In this dissertation, we explore this area and develop new techniques that extract maximum performance subject to a particular power constraint. These techniques include a method to find theoretical optimal performance, a runtime system that shifts power in real time to improve performance, and a node-level prediction model for selecting power-efficient operating points. We use a linear programming (LP) formulation to optimize application schedules under various power constraints, where a schedule consists of a DVFS state and number of OpenMP threads for each section of computation between consecutive message passing events. We also provide a more flexible mixed integer-linear (ILP) formulation and show that the resulting schedules closely match schedules from the LP formulation. Across four applications, we use our LP-derived upper bounds to show that current approaches trail optimal, power-constrained performance by up to 41%. This demonstrates limitations of current systems, and our LP formulation provides future optimization approaches with a quantitative optimization target. We also introduce Conductor, a run-time system that intelligently distributes available power to nodes and cores to improve performance. The key techniques used are configuration space exploration and adaptive power balancing. Configuration exploration dynamically selects the optimal thread concurrency level and DVFS state subject to a hardware-enforced power bound. Adaptive power balancing efficiently predicts where critical paths are likely to occur and distributes power to those paths. Greater power, in turn, allows increased thread concurrency levels, CPU frequency/voltage, or both. We describe these techniques in detail and show that, compared to the state-of-the-art technique of using statically predetermined, per-node power caps, Conductor leads to a best-case performance improvement of up to 30%, and an average improvement of 19.1%. At the node level, an accurate power/performance model will aid in selecting the right configuration from a large set of available configurations. We present a novel approach to generate such a model offline using kernel clustering and multivariate linear regression. Our model requires only two iterations to select a configuration, which provides a significant advantage over exhaustive search-based strategies. We apply our model to predict power and performance for different applications using arbitrary configurations, and show that our model, when used with hardware frequency-limiting in a runtime system, selects configurations with significantly higher performance at a given power limit than those chosen by frequency-limiting alone. When applied to a set of 36 computational kernels from a range of applications, our model accurately predicts power and performance; our runtime system based on the model maintains 91% of optimal performance while meeting power constraints 88% of the time. When the runtime system violates a power constraint, it exceeds the constraint by only 6% in the average case, while simultaneously achieving 54% more performance than an oracle. Through the combination of the above contributions, we hope to provide guidance and inspiration to research practitioners working on runtime systems for power-constrained environments. We also hope this dissertation will draw attention to the need for software and runtime-controlled power management under power constraints at various levels, from the processor level to the cluster level.

PS3 CELL Development for Scientific Computation and Research

NASA Astrophysics Data System (ADS)

Christiansen, M.; Sevre, E.; Wang, S. M.; Yuen, D. A.; Liu, S.; Lyness, M. D.; Broten, M.

2007-12-01

The Cell processor is one of the most powerful processors on the market, and researchers in the earth sciences may find its parallel architecture to be very useful. A cell processor, with 7 cores, can easily be obtained for experimentation by purchasing a PlayStation 3 (PS3) and installing linux and the IBM SDK. Each core of the PS3 is capable of 25 GFLOPS giving a potential limit of 150 GFLOPS when using all 6 SPUs (synergistic processing units) by using vectorized algorithms. We have used the Cell's computational power to create a program which takes simulated tsunami datasets, parses them, and returns a colorized height field image using ray casting techniques. As expected, the time required to create an image is inversely proportional to the number of SPUs used. We believe that this trend will continue when multiple PS3s are chained using OpenMP functionality and are in the process of researching this. By using the Cell to visualize tsunami data, we have found that its greatest feature is its power. This fact entwines well with the needs of the scientific community where the limiting factor is time. Any algorithm, such as the heat equation, that can be subdivided into multiple parts can take advantage of the PS3 Cell's ability to split the computations across the 6 SPUs reducing required run time by one sixth. Further vectorization of the code can allow for 4 simultanious floating point operations by using the SIMD (single instruction multiple data) capabilities of the SPU increasing efficiency 24 times.

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

The High Level Data Reduction Library

NASA Astrophysics Data System (ADS)

Ballester, P.; Gabasch, A.; Jung, Y.; Modigliani, A.; Taylor, J.; Coccato, L.; Freudling, W.; Neeser, M.; Marchetti, E.

2015-09-01

The European Southern Observatory (ESO) provides pipelines to reduce data for most of the instruments at its Very Large telescope (VLT). These pipelines are written as part of the development of VLT instruments, and are used both in the ESO's operational environment and by science users who receive VLT data. All the pipelines are highly specific geared toward instruments. However, experience showed that the independently developed pipelines include significant overlap, duplication and slight variations of similar algorithms. In order to reduce the cost of development, verification and maintenance of ESO pipelines, and at the same time improve the scientific quality of pipelines data products, ESO decided to develop a limited set of versatile high-level scientific functions that are to be used in all future pipelines. The routines are provided by the High-level Data Reduction Library (HDRL). To reach this goal, we first compare several candidate algorithms and verify them during a prototype phase using data sets from several instruments. Once the best algorithm and error model have been chosen, we start a design and implementation phase. The coding of HDRL is done in plain C and using the Common Pipeline Library (CPL) functionality. HDRL adopts consistent function naming conventions and a well defined API to minimise future maintenance costs, implements error propagation, uses pixel quality information, employs OpenMP to take advantage of multi-core processors, and is verified with extensive unit and regression tests. This poster describes the status of the project and the lesson learned during the development of reusable code implementing algorithms of high scientific quality.

DISPATCH: a numerical simulation framework for the exa-scale era - I. Fundamentals

NASA Astrophysics Data System (ADS)

Nordlund, Åke; Ramsey, Jon P.; Popovas, Andrius; Küffmeier, Michael

2018-06-01

We introduce a high-performance simulation framework that permits the semi-independent, task-based solution of sets of partial differential equations, typically manifesting as updates to a collection of `patches' in space-time. A hybrid MPI/OpenMP execution model is adopted, where work tasks are controlled by a rank-local `dispatcher' which selects, from a set of tasks generally much larger than the number of physical cores (or hardware threads), tasks that are ready for updating. The definition of a task can vary, for example, with some solving the equations of ideal magnetohydrodynamics (MHD), others non-ideal MHD, radiative transfer, or particle motion, and yet others applying particle-in-cell (PIC) methods. Tasks do not have to be grid based, while tasks that are, may use either Cartesian or orthogonal curvilinear meshes. Patches may be stationary or moving. Mesh refinement can be static or dynamic. A feature of decisive importance for the overall performance of the framework is that time-steps are determined and applied locally; this allows potentially large reductions in the total number of updates required in cases when the signal speed varies greatly across the computational domain, and therefore a corresponding reduction in computing time. Another feature is a load balancing algorithm that operates `locally' and aims to simultaneously minimize load and communication imbalance. The framework generally relies on already existing solvers, whose performance is augmented when run under the framework, due to more efficient cache usage, vectorization, local time-stepping, plus near-linear and, in principle, unlimited OpenMP and MPI scaling.

Research on bathymetry estimation by Worldview-2 based with the semi-analytical model

NASA Astrophysics Data System (ADS)

Sheng, L.; Bai, J.; Zhou, G.-W.; Zhao, Y.; Li, Y.-C.

2015-04-01

South Sea Islands of China are far away from the mainland, the reefs takes more than 95% of south sea, and most reefs scatter over interested dispute sensitive area. Thus, the methods of obtaining the reefs bathymetry accurately are urgent to be developed. Common used method, including sonar, airborne laser and remote sensing estimation, are limited by the long distance, large area and sensitive location. Remote sensing data provides an effective way for bathymetry estimation without touching over large area, by the relationship between spectrum information and bathymetry. Aimed at the water quality of the south sea of China, our paper develops a bathymetry estimation method without measured water depth. Firstly the semi-analytical optimization model of the theoretical interpretation models has been studied based on the genetic algorithm to optimize the model. Meanwhile, OpenMP parallel computing algorithm has been introduced to greatly increase the speed of the semi-analytical optimization model. One island of south sea in China is selected as our study area, the measured water depth are used to evaluate the accuracy of bathymetry estimation from Worldview-2 multispectral images. The results show that: the semi-analytical optimization model based on genetic algorithm has good results in our study area;the accuracy of estimated bathymetry in the 0-20 meters shallow water area is accepted.Semi-analytical optimization model based on genetic algorithm solves the problem of the bathymetry estimation without water depth measurement. Generally, our paper provides a new bathymetry estimation method for the sensitive reefs far away from mainland.

A fast algorithm for forward-modeling of gravitational fields in spherical coordinates with 3D Gauss-Legendre quadrature

NASA Astrophysics Data System (ADS)

Zhao, G.; Liu, J.; Chen, B.; Guo, R.; Chen, L.

2017-12-01

Forward modeling of gravitational fields at large-scale requires to consider the curvature of the Earth and to evaluate the Newton's volume integral in spherical coordinates. To acquire fast and accurate gravitational effects for subsurface structures, subsurface mass distribution is usually discretized into small spherical prisms (called tesseroids). The gravity fields of tesseroids are generally calculated numerically. One of the commonly used numerical methods is the 3D Gauss-Legendre quadrature (GLQ). However, the traditional GLQ integration suffers from low computational efficiency and relatively poor accuracy when the observation surface is close to the source region. We developed a fast and high accuracy 3D GLQ integration based on the equivalence of kernel matrix, adaptive discretization and parallelization using OpenMP. The equivalence of kernel matrix strategy increases efficiency and reduces memory consumption by calculating and storing the same matrix elements in each kernel matrix just one time. In this method, the adaptive discretization strategy is used to improve the accuracy. The numerical investigations show that the executing time of the proposed method is reduced by two orders of magnitude compared with the traditional method that without these optimized strategies. High accuracy results can also be guaranteed no matter how close the computation points to the source region. In addition, the algorithm dramatically reduces the memory requirement by N times compared with the traditional method, where N is the number of discretization of the source region in the longitudinal direction. It makes the large-scale gravity forward modeling and inversion with a fine discretization possible.

The Development of High-speed Full-function Storm Surge Model and the Case Study of 2013 Typhoon Haiyan

NASA Astrophysics Data System (ADS)

Tsai, Y. L.; Wu, T. R.; Lin, C. Y.; Chuang, M. H.; Lin, C. W.

2016-02-01

An ideal storm surge operational model should feature as: 1. Large computational domain which covers the complete typhoon life cycle. 2. Supporting both parametric and atmospheric models. 3. Capable of calculating inundation area for risk assessment. 4. Tides are included for accurate inundation simulation. Literature review shows that not many operational models reach the goals for the fast calculation, and most of the models have limited functions. In this paper, a well-developed COMCOT (COrnell Multi-grid Coupled of Tsunami Model) tsunami model is chosen as the kernel to establish a storm surge model which solves the nonlinear shallow water equations on both spherical and Cartesian coordinates directly. The complete evolution of storm surge including large-scale propagation and small-scale offshore run-up can be simulated by nested-grid scheme. The global tide model TPXO 7.2 established by Oregon State University is coupled to provide astronomical boundary conditions. The atmospheric model named WRF (Weather Research and Forecasting Model) is also coupled to provide metrological fields. The high-efficiency thin-film method is adopted to evaluate the storm surge inundation. Our in-house model has been optimized by OpenMp (Open Multi-Processing) with the performance which is 10 times faster than the original version and makes it an early-warning storm surge model. In this study, the thorough simulation of 2013 Typhoon Haiyan is performed. The detailed results will be presented in Oceanic Science Meeting of 2016 in terms of surge propagation and high-resolution inundation areas.

Characterization of the solvent properties of oleochemical carbonates

USDA-ARS?s Scientific Manuscript database

Oleophilic carbonates, such as hexadecyl carbonate, can be characterized with respect to their solvent properties using inverse gas chromatography (IGC). Physicochemical properties of these renewable lipid derivatives are of importance for applications such as their use as phase change materials, fu...

Optical Metamaterials: Design, Characterization and Applications

ERIC Educational Resources Information Center

Chaturvedi, Pratik

2009-01-01

Artificially engineered metamaterials have emerged with properties and functionalities previously unattainable in natural materials. The scientific breakthroughs made in this new class of electromagnetic materials are closely linked with progress in developing physics-driven design, novel fabrication and characterization methods. The intricate…

Incorporation of Fiber Bragg Sensors for Shape Memory Polyurethanes Characterization.

PubMed

Alberto, Nélia; Fonseca, Maria A; Neto, Victor; Nogueira, Rogério; Oliveira, Mónica; Moreira, Rui

2017-11-11

Shape memory polyurethanes (SMPUs) are thermally activated shape memory materials, which can be used as actuators or sensors in applications including aerospace, aeronautics, automobiles or the biomedical industry. The accurate characterization of the memory effect of these materials is therefore mandatory for the technology's success. The shape memory characterization is normally accomplished using mechanical testing coupled with a heat source, where a detailed knowledge of the heat cycle and its influence on the material properties is paramount but difficult to monitor. In this work, fiber Bragg grating (FBG) sensors were embedded into SMPU samples aiming to study and characterize its shape memory effect. The samples were obtained by injection molding, and the entire processing cycle was successfully monitored, providing a process global quality signature. Moreover, the integrity and functionality of the FBG sensors were maintained during and after the embedding process, demonstrating the feasibility of the technology chosen for the purpose envisaged. The results of the shape memory effect characterization demonstrate a good correlation between the reflected FBG peak with the temperature and induced strain, proving that this technology is suitable for this particular application.

Incorporation of Fiber Bragg Sensors for Shape Memory Polyurethanes Characterization

PubMed Central

Nogueira, Rogério; Moreira, Rui

2017-01-01

Shape memory polyurethanes (SMPUs) are thermally activated shape memory materials, which can be used as actuators or sensors in applications including aerospace, aeronautics, automobiles or the biomedical industry. The accurate characterization of the memory effect of these materials is therefore mandatory for the technology’s success. The shape memory characterization is normally accomplished using mechanical testing coupled with a heat source, where a detailed knowledge of the heat cycle and its influence on the material properties is paramount but difficult to monitor. In this work, fiber Bragg grating (FBG) sensors were embedded into SMPU samples aiming to study and characterize its shape memory effect. The samples were obtained by injection molding, and the entire processing cycle was successfully monitored, providing a process global quality signature. Moreover, the integrity and functionality of the FBG sensors were maintained during and after the embedding process, demonstrating the feasibility of the technology chosen for the purpose envisaged. The results of the shape memory effect characterization demonstrate a good correlation between the reflected FBG peak with the temperature and induced strain, proving that this technology is suitable for this particular application. PMID:29137136

3D Elastic Wavefield Tomography

NASA Astrophysics Data System (ADS)

Guasch, L.; Warner, M.; Stekl, I.; Umpleby, A.; Shah, N.

2010-12-01

Wavefield tomography, or waveform inversion, aims to extract the maximum information from seismic data by matching trace by trace the response of the solid earth to seismic waves using numerical modelling tools. Its first formulation dates from the early 80's, when Albert Tarantola developed a solid theoretical basis that is still used today with little change. Due to computational limitations, the application of the method to 3D problems has been unaffordable until a few years ago, and then only under the acoustic approximation. Although acoustic wavefield tomography is widely used, a complete solution of the seismic inversion problem requires that we account properly for the physics of wave propagation, and so must include elastic effects. We have developed a 3D tomographic wavefield inversion code that incorporates the full elastic wave equation. The bottle neck of the different implementations is the forward modelling algorithm that generates the synthetic data to be compared with the field seismograms as well as the backpropagation of the residuals needed to form the direction update of the model parameters. Furthermore, one or two extra modelling runs are needed in order to calculate the step-length. Our approach uses a FD scheme explicit time-stepping by finite differences that are 4th order in space and 2nd order in time, which is a 3D version of the one developed by Jean Virieux in 1986. We chose the time domain because an explicit time scheme is much less demanding in terms of memory than its frequency domain analogue, although the discussion of wich domain is more efficient still remains open. We calculate the parameter gradients for Vp and Vs by correlating the normal and shear stress wavefields respectively. A straightforward application would lead to the storage of the wavefield at all grid points at each time-step. We tackled this problem using two different approaches. The first one makes better use of resources for small models of dimension equal or less than 300x300x300 nodes, and it under-samples the wavefield reducing the number of stored time-steps by an order of magnitude. For bigger models the wavefield is stored only at the boundaries of the model and then re-injected while the residuals are backpropagated allowing to compute the correlation 'on the fly'. In terms of computational resource, the elastic code is an order of magnitude more demanding than the equivalent acoustic code. We have combined shared memory with distributed memory parallelisation using OpenMP and MPI respectively. Thus, we take advantage of the increasingly common multi-core architecture processors. We have successfully applied our inversion algorithm to different realistic complex 3D models. The models had non-linear relations between pressure and shear wave velocities. The shorter wavelengths of the shear waves improve the resolution of the images obtained with respect to a purely acoustic approach.

Holographic Recordings in Dye/Polymer Systems For Engineering Applications

NASA Astrophysics Data System (ADS)

Lessard, Roger A.; Couture, Jean J.

1990-04-01

Since Gabor's first demonstration of reconstructed wavefronts, many holographic techniques provided interesting tools and applications. Presently the future of holography is strongly dependent upon new holographic recording thin films. Because of their excellent responses to high spatial frequency grating recordings (up to 6800 cycles/mm), photopolymers and photocrosslinking materials seem to be good candidates to overcome some limitations. Dichromated gelatin films demons-trated excellent properties for permanent recording grating applications like HOE construction but they are humidity sensitive and they need a chemical development. Today's holographic works need real-time like recording material and law cost organic materials as DYE/POLYMER systems offer some possibilities. We present a review of research works done in our holography laboratories of COPL at Universite Laval. Using an automated spatial frequency analyzer designed at COPL, DYE/POLYMER systems are characterized for transmission holography and also for applications involving real-time holography and four-wave mixing techniques. Also, most of our characterization studies consider volume polarization holograms. The second subject is devoted to polarization hologram recordings in thin colored polyvinyl alcohol films. Those AZO/WA solid films are erasable and can be used for many thousands duty cycles for polarization volume holograms. Holographic characterization studies are conducted in order to know best experimental conditions and applications that allow to use those films. Finally, sensitized PVA films will be discussed.

Flexible microwave ablation applicator for the treatment of pulmonary malignancies

NASA Astrophysics Data System (ADS)

Pfannenstiel, Austin; Keast, Tom; Kramer, Steve; Wibowo, Henky; Prakash, Punit

2017-02-01

Microwave ablation (MWA) is an emerging minimally invasive treatment option for malignant lung tumors. Compared to other energy modalities, such as radiofrequency ablation, MWA offers the advantages of deeper penetration within high impedance tissues such as aerated lung, shorter treatment times, and less susceptibility to the cooling heat-sink effects of air and blood flow. Previous studies have demonstrated clinical use of MWA for treating lung tumors; however, these procedures have relied upon the percutaneous application of rigid microwave antennas. The objective of our work was to develop and characterize a novel flexible microwave applicator which could be integrated with a bronchoscopic imaging and software guidance platform to expand the use of MWA as a treatment option for small (< 2cm) pulmonary tumors. This applicator would allow physicians an even less invasive, immediate treatment option for lung tumors identified within the scope of current medical procedures. It may also improve applicator placement accuracy and increase efficacy while minimizing the risk of procedural complications. A 2D-axisymmetric coupled FEM electromagnetic-heat transfer model was implemented to characterize expected antenna radiation patterns, ablation size and shape, and optimize antenna design for lung tissue. A prototype device was fabricated and evaluated in ex vivo tissues to verify simulation results and serve as proof-of-concept. Additional experiments were conducted in an in vivo animal model to further characterize the proposed system.

Application Of Positron Beams For The Characterization Of Nano-scale Pores In Thin Films

NASA Astrophysics Data System (ADS)

Hirata, K.; Ito, K.; Kobayashi, Y.; Suzuki, R.; Ohdaira, T.; Eijt, S. W. H.; Schut, H.; van Veen, A.

2003-08-01

We applied three positron annihilation techniques, positron 3γ-annihilation spectroscopy, positron annihilation lifetime spectroscopy, and angular correlation of annihilation radiation, to the characterization of nano-scale pores in thin films by combining them with variable-energy positron beams. Characterization of pores in thin films is an important part of the research on various thin films of industrial importance. The results of our recent studies on pore characterization of thin films by positron beams will be reported here.

Analysis of in-service failures and advances in microstructural characterization. Microstructural science Volume 26

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

Abramovici, E.; Northwood, D.O.; Shehata, M.T.

1999-01-01

The contents include Analysis of In-Service Failures (tutorials, transportation industry, corrosion and materials degradation, electronic and advanced materials); 1998 Sorby Award Lecture by Kay Geels, Struers A/S (Metallographic Preparation from Sorby to the Present); Advances in Microstructural Characterization (characterization techniques using high resolution and focused ion beam, characterization of microstructural clustering and correlation with performance); Advanced Applications (advanced alloys and intermetallic compounds, plasma spray coatings and other surface coatings, corrosion, and materials degradation).

Study to perform preliminary experiments to evaluate particle generation and characterization techniques for zero-gravity cloud physics experiments

NASA Technical Reports Server (NTRS)

Katz, U.

1982-01-01

Methods of particle generation and characterization with regard to their applicability for experiments requiring cloud condensation nuclei (CCN) of specified properties were investigated. Since aerosol characterization is a prerequisite to assessing performance of particle generation equipment, techniques for characterizing aerosol were evaluated. Aerosol generation is discussed, and atomizer and photolytic generators including preparation of hydrosols (used with atomizers) and the evaluation of a flight version of an atomizer are studied.

Pulsed CO2 characterization for lidar use

NASA Technical Reports Server (NTRS)

Jaenisch, Holger M.

1992-01-01

An account is given of a scaled functional testbed laser for space-qualified coherent-detection lidar applications which employs a CO2 laser. This laser has undergone modification and characterization for inherent performance capabilities as a model of coherent detection. While characterization results show good overall performance that is in agreement with theoretical predictions, frequency-stability and pulse-length limitations severely limit the laser's use in coherent detection.

Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing

DTIC Science & Technology

2016-07-15

AFRL-AFOSR-JP-TR-2016-0068 Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing Hean-Teik...SUBTITLE Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER... electromagnetics to the application in microwave remote sensing as well as extension of modelling capability with computational flexibility to study

Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing

DTIC Science & Technology

2016-07-15

AFRL-AFOSR-JP-TR-2016-0068 Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing Hean-Teik...SUBTITLE Multi-scale Computational Electromagnetics for Phenomenology and Saliency Characterization in Remote Sensing 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER...electromagnetics to the application in microwave remote sensing as well as extension of modelling capability with computational flexibility to study

Analytical ultrasonics for structural materials

NASA Technical Reports Server (NTRS)

Kupperman, D. S.

1986-01-01

The application of ultrasonic velocity and attenuation measurements to characterize the microstructure of structural materials is discussed. Velocity measurements in cast stainless steel are correlated with microstructural variations ranging from equiaxed (elastically isotropic) to columnar (elastically anisotropic) grain structure. The effect of the anisotropic grain structure on the deviation of ultrasonic waves in cast stainless steel is also reported. Field-implementable techniques for distinguishing equiaxed from columnar grain structures in cast strainless steel structural members are presented. The application of ultrasonic velocity measurements to characterize structural ceramics in the green state is also discussed.

Electro-optical and Magneto-optical Sensing Apparatus and Method for Characterizing Free-space Electromagnetic Radiation

DOEpatents

Zhang, Xi-Cheng; Riordan, Jenifer Ann; Sun, Feng-Guo

2000-08-29

Apparatus and methods for characterizing free-space electromagnetic energy, and in particular, apparatus/method suitable for real-time two-dimensional far-infrared imaging applications are presented. The sensing technique is based on a non-linear coupling between a low-frequency electric (or magnetic) field and a laser beam in an electro-optic (or magnetic-optic) crystal. In addition to a practical counter-propagating sensing technique, a co-linear approach is described which provides longer radiated field-optical beam interaction length, thereby making imaging applications practical.

Increasing Heavy Oil Reserves in the Wilmington Oil Field Through Advanced Reservoir Characterization and Thermal Production Technologies, Class III

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

City of Long Beach; Tidelands Oil Production Company; University of Southern California

2002-09-30

The objective of this project was to increase the recoverable heavy oil reserves within sections of the Wilmington Oil Field, near Long Beach, California through the testing and application of advanced reservoir characterization and thermal production technologies. It was hoped that the successful application of these technologies would result in their implementation throughout the Wilmington Field and, through technology transfer, will be extended to increase the recoverable oil reserves in other slope and basin clastic (SBC) reservoirs.

Creep analysis of silicone for podiatry applications.

PubMed

Janeiro-Arocas, Julia; Tarrío-Saavedra, Javier; López-Beceiro, Jorge; Naya, Salvador; López-Canosa, Adrián; Heredia-García, Nicolás; Artiaga, Ramón

2016-10-01

This work shows an effective methodology to characterize the creep-recovery behavior of silicones before their application in podiatry. The aim is to characterize, model and compare the creep-recovery properties of different types of silicone used in podiatry orthotics. Creep-recovery phenomena of silicones used in podiatry orthotics is characterized by dynamic mechanical analysis (DMA). Silicones provided by Herbitas are compared by observing their viscoelastic properties by Functional Data Analysis (FDA) and nonlinear regression. The relationship between strain and time is modeled by fixed and mixed effects nonlinear regression to compare easily and intuitively podiatry silicones. Functional ANOVA and Kohlrausch-Willians-Watts (KWW) model with fixed and mixed effects allows us to compare different silicones observing the values of fitting parameters and their physical meaning. The differences between silicones are related to the variations of breadth of creep-recovery time distribution and instantaneous deformation-permanent strain. Nevertheless, the mean creep-relaxation time is the same for all the studied silicones. Silicones used in palliative orthoses have higher instantaneous deformation-permanent strain and narrower creep-recovery distribution. The proposed methodology based on DMA, FDA and nonlinear regression is an useful tool to characterize and choose the proper silicone for each podiatry application according to their viscoelastic properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

An Evaluation of ALOS Data in Disaster Applications

NASA Astrophysics Data System (ADS)

Igarashi, Tamotsu; Igarashi, Tamotsu; Furuta, Ryoich; Ono, Makoto

ALOS is the advanced land observing satellite, providing image data from onboard sensors; PRISM, AVNIR-2 and PALSAR. PRISM is the sensor of panchromatic stereo, high resolution three-line-scanner to characterize the earth surface. The accuracy of position in image and height of Digital Surface Model (DSM) are high, therefore the geographic information extraction is improved in the field of disaster applications with providing images of disaster area. Especially pan-sharpened 3D image composed with PRISM and the four-band visible near-infrared radiometer AVNIR-2 data is expected to provide information to understand the geographic and topographic feature. PALSAR is the advanced multi-functional synthetic aperture radar (SAR) operated in L-band, appropriate for the use of land surface feature characterization. PALSAR has many improvements from JERS-1/SAR, such as high sensitivity, having high resolution, polarimetric and scan SAR observation modes. PALSAR is also applicable for SAR interferometry processing. This paper describes the evaluation of ALOS data characteristic from the view point of disaster applications, through some exercise applications.

Recent advances in non-ionic surfactant vesicles (niosomes): self-assembly, fabrication, characterization, drug delivery applications and limitations.

PubMed

Abdelkader, Hamdy; Alani, Adam W G; Alany, Raid G

2014-03-01

Non-ionic surfactant vesicles, simply known as niosomes are synthetic vesicles with potential technological applications. Niosomes have the same potential advantages of phospholipid vesicles (liposomes) of being able to accommodate both water soluble and lipid soluble drug molecules control their release and as such serve as versatile drug delivery devices of numerous applications. Additionally, niosomes can be considered as more economically, chemically, and occasionally physically stable alternatives to liposomes. Niosomes can be fabricated using simple methods of preparations and from widely used surfactants in pharmaceutical technology. Many reports have discussed niosomes in terms of physicochemical properties and their applications as drug delivery systems. In this report, a brief and simplified summary of different theories of self-assembly will be given. Furthermore manufacturing methods, physical characterization techniques, bilayer membrane additives, unconventional niosomes (discomes, proniosomes, elastic and polyhedral niosomes), their recent applications as drug delivery systems, limitations and directions for future research will be discussed.

Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers

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

Sreepathi, Sarat; D'Azevedo, Eduardo; Philip, Bobby

On large supercomputers, the job scheduling systems may assign a non-contiguous node allocation for user applications depending on available resources. With parallel applications using MPI (Message Passing Interface), the default process ordering does not take into account the actual physical node layout available to the application. This contributes to non-locality in terms of physical network topology and impacts communication performance of the application. In order to mitigate such performance penalties, this work describes techniques to identify suitable task mapping that takes the layout of the allocated nodes as well as the application's communication behavior into account. During the first phasemore » of this research, we instrumented and collected performance data to characterize communication behavior of critical US DOE (United States - Department of Energy) applications using an augmented version of the mpiP tool. Subsequently, we developed several reordering methods (spectral bisection, neighbor join tree etc.) to combine node layout and application communication data for optimized task placement. We developed a tool called mpiAproxy to facilitate detailed evaluation of the various reordering algorithms without requiring full application executions. This work presents a comprehensive performance evaluation (14,000 experiments) of the various task mapping techniques in lowering communication costs on Titan, the leadership class supercomputer at Oak Ridge National Laboratory.« less

Processor Emulator with Benchmark Applications

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

Lloyd, G. Scott; Pearce, Roger; Gokhale, Maya

2015-11-13

A processor emulator and a suite of benchmark applications have been developed to assist in characterizing the performance of data-centric workloads on current and future computer architectures. Some of the applications have been collected from other open source projects. For more details on the emulator and an example of its usage, see reference [1].

Synthesis and characterization of corn oil polyhydroxy fatty acids designed as additive agent for many applications

USDA-ARS?s Scientific Manuscript database

Before the advent of the modern food industry, vegetable oils (triglycerides) from many sources had a long history of use as condiments in cooking, personal care and other therapeutic applications. Industrial applications of vegetable oils, on the other hand, have been limited on account of the shor...

Modular HPC I/O characterization with Darshan

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

Snyder, Shane; Carns, Philip; Harms, Kevin

2016-11-13

Contemporary high-performance computing (HPC) applications encompass a broad range of distinct I/O strategies and are often executed on a number of different compute platforms in their lifetime. These large-scale HPC platforms employ increasingly complex I/O subsystems to provide a suitable level of I/O performance to applications. Tuning I/O workloads for such a system is nontrivial, and the results generally are not portable to other HPC systems. I/O profiling tools can help to address this challenge, but most existing tools only instrument specific components within the I/O subsystem that provide a limited perspective on I/O performance. The increasing diversity of scientificmore » applications and computing platforms calls for greater flexibililty and scope in I/O characterization.« less

Thermal characterization of three-dimensional printed components for light-emitting diode lighting system applications

NASA Astrophysics Data System (ADS)

Perera, Indika U.; Narendran, Nadarajah; Terentyeva, Valeria

2018-04-01

This study investigated the thermal properties of three-dimensional (3-D) printed components with the potential to be used for thermal management in light-emitting diode (LED) applications. Commercially available filament materials with and without a metal filler were characterized with changes to the print orientation. 3-D printed components with an in-plane orientation had >30 % better effective thermal conductivity compared with components printed with a cross-plane orientation. A finite-element analysis was modeled to understand the effective thermal conductivity changes in the 3-D printed components. A simple thermal resistance model was used to estimate the required effective thermal conductivity of the 3-D printed components to be a viable alternative in LED thermal management applications.

Photogrammetry and Videogrammetry Methods Development for Solar Sail Structures. Masters Thesis awarded by George Washington Univ.

NASA Technical Reports Server (NTRS)

Pappa, Richard S. (Technical Monitor); Black, Jonathan T.

2003-01-01

This report discusses the development and application of metrology methods called photogrammetry and videogrammetry that make accurate measurements from photographs. These methods have been adapted for the static and dynamic characterization of gossamer structures, as four specific solar sail applications demonstrate. The applications prove that high-resolution, full-field, non-contact static measurements of solar sails using dot projection photogrammetry are possible as well as full-field, non-contact, dynamic characterization using dot projection videogrammetry. The accuracy of the measurement of the resonant frequencies and operating deflection shapes that were extracted surpassed expectations. While other non-contact measurement methods exist, they are not full-field and require significantly more time to take data.

Application of thermal analysis techniques in activated carbon production

USGS Publications Warehouse

Donnals, G.L.; DeBarr, J.A.; Rostam-Abadi, M.; Lizzio, A.A.; Brady, T.A.

1996-01-01

Thermal analysis techniques have been used at the ISGS as an aid in the development and characterization of carbon adsorbents. Promising adsorbents from fly ash, tires, and Illinois coals have been produced for various applications. Process conditions determined in the preparation of gram quantities of carbons were used as guides in the preparation of larger samples. TG techniques developed to characterize the carbon adsorbents included the measurement of the kinetics of SO2 adsorption, the performance of rapid proximate analyses, and the determination of equilibrium methane adsorption capacities. Thermal regeneration of carbons was assessed by TG to predict the life cycle of carbon adsorbents in different applications. TPD was used to determine the nature of surface functional groups and their effect on a carbon's adsorption properties.

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

Osmanlioglu, Ahmet Erdal

Pre-treatment of radioactive waste is the first step in waste management program that occurs after waste generation from various applications in Turkey. Pre-treatment and characterization practices are carried out in Radioactive Waste Management Unit (RWMU) at Cekmece Nuclear Research and Training Center (CNRTC) in Istanbul. This facility has been assigned to take all low-level radioactive wastes generated by nuclear applications in Turkey. The wastes are generated from research and nuclear applications mainly in medicine, biology, agriculture, quality control in metal processing and construction industries. These wastes are classified as low- level radioactive wastes. Pre-treatment practices cover several steps. In thismore » paper, main steps of pre-treatment and characterization are presented. Basically these are; collection, segregation, chemical adjustment, size reduction and decontamination operations. (author)« less

25th anniversary article: semiconductor nanowires--synthesis, characterization, and applications.

PubMed

Dasgupta, Neil P; Sun, Jianwei; Liu, Chong; Brittman, Sarah; Andrews, Sean C; Lim, Jongwoo; Gao, Hanwei; Yan, Ruoxue; Yang, Peidong

2014-04-09

Semiconductor nanowires (NWs) have been studied extensively for over two decades for their novel electronic, photonic, thermal, electrochemical and mechanical properties. This comprehensive review article summarizes major advances in the synthesis, characterization, and application of these materials in the past decade. Developments in the understanding of the fundamental principles of "bottom-up" growth mechanisms are presented, with an emphasis on rational control of the morphology, stoichiometry, and crystal structure of the materials. This is followed by a discussion of the application of nanowires in i) electronic, ii) sensor, iii) photonic, iv) thermoelectric, v) photovoltaic, vi) photoelectrochemical, vii) battery, viii) mechanical, and ix) biological applications. Throughout the discussion, a detailed explanation of the unique properties associated with the one-dimensional nanowire geometry will be presented, and the benefits of these properties for the various applications will be highlighted. The review concludes with a brief perspective on future research directions, and remaining barriers which must be overcome for the successful commercial application of these technologies. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication and characterization of thick-film piezoelectric lead zirconate titanate ceramic resonators by tape-casting.

PubMed

Qin, Lifeng; Sun, Yingying; Wang, Qing-Ming; Zhong, Youliang; Ou, Ming; Jiang, Zhishui; Tian, Wei

2012-12-01

In this paper, thick-film piezoelectric lead zirconate titanate (PZT) ceramic resonators with thicknesses down to tens of micrometers have been fabricated by tape-casting processing. PZT ceramic resonators with composition near the morphotropic phase boundary and with different dopants added were prepared for piezoelectric transducer applications. Material property characterization for these thick-film PZT resonators is essential for device design and applications. For the property characterization, a recently developed normalized electrical impedance spectrum method was used to determine the electromechanical coefficient and the complex piezoelectric, elastic, and dielectric coefficients from the electrical measurement of resonators using thick films. In this work, nine PZT thick-film resonators have been fabricated and characterized, and two different types of resonators, namely thickness longitudinal and transverse modes, were used for material property characterization. The results were compared with those determined by the IEEE standard method, and they agreed well. It was found that depending on the PZT formulation and dopants, the relative permittivities ε(T)(33)/ε(0) measured at 2 kHz for these thick-films are in the range of 1527 to 4829, piezoelectric stress constants (e(33) in the range of 15 to 26 C/m(2), piezoelectric strain constants (d(31)) in the range of -169 × 10(-12) C/N to -314 × 10(-12) C/N, electromechanical coupling coefficients (k(t)) in the range of 0.48 to 0.53, and k(31) in the range of 0.35 to 0.38. The characterization results shows tape-casting processing can be used to fabricate high-quality PZT thick-film resonators, and the extracted material constants can be used to for device design and application.

IMPROVING BIOGENIC EMISSION ESTIMATES WITH SATELLITE IMAGERY

EPA Science Inventory

This presentation will review how existing and future applications of satellite imagery can improve the accuracy of biogenic emission estimates. Existing applications of satellite imagery to biogenic emission estimates have focused on characterizing land cover. Vegetation dat...

Screen-Printing Fabrication and Characterization of Stretchable Electronics

PubMed Central

Suikkola, Jari; Björninen, Toni; Mosallaei, Mahmoud; Kankkunen, Timo; Iso-Ketola, Pekka; Ukkonen, Leena; Vanhala, Jukka; Mäntysalo, Matti

2016-01-01

This article focuses on the fabrication and characterization of stretchable interconnects for wearable electronics applications. Interconnects were screen-printed with a stretchable silver-polymer composite ink on 50-μm thick thermoplastic polyurethane. The initial sheet resistances of the manufactured interconnects were an average of 36.2 mΩ/◽, and half the manufactured samples withstood single strains of up to 74%. The strain proportionality of resistance is discussed, and a regression model is introduced. Cycling strain increased resistance. However, the resistances here were almost fully reversible, and this recovery was time-dependent. Normalized resistances to 10%, 15%, and 20% cyclic strains stabilized at 1.3, 1.4, and 1.7. We also tested the validity of our model for radio-frequency applications through characterization of a stretchable radio-frequency identification tag. PMID:27173424

Expert judgement and uncertainty quantification for climate change

NASA Astrophysics Data System (ADS)

Oppenheimer, Michael; Little, Christopher M.; Cooke, Roger M.

2016-05-01

Expert judgement is an unavoidable element of the process-based numerical models used for climate change projections, and the statistical approaches used to characterize uncertainty across model ensembles. Here, we highlight the need for formalized approaches to unifying numerical modelling with expert judgement in order to facilitate characterization of uncertainty in a reproducible, consistent and transparent fashion. As an example, we use probabilistic inversion, a well-established technique used in many other applications outside of climate change, to fuse two recent analyses of twenty-first century Antarctic ice loss. Probabilistic inversion is but one of many possible approaches to formalizing the role of expert judgement, and the Antarctic ice sheet is only one possible climate-related application. We recommend indicators or signposts that characterize successful science-based uncertainty quantification.

Use of model calibration to achieve high accuracy in analysis of computer networks

DOEpatents

Frogner, Bjorn; Guarro, Sergio; Scharf, Guy

2004-05-11

A system and method are provided for creating a network performance prediction model, and calibrating the prediction model, through application of network load statistical analyses. The method includes characterizing the measured load on the network, which may include background load data obtained over time, and may further include directed load data representative of a transaction-level event. Probabilistic representations of load data are derived to characterize the statistical persistence of the network performance variability and to determine delays throughout the network. The probabilistic representations are applied to the network performance prediction model to adapt the model for accurate prediction of network performance. Certain embodiments of the method and system may be used for analysis of the performance of a distributed application characterized as data packet streams.

Needs assessment for nondestructive testing and materials characterization for improved reliability in structural ceramics for heat engines

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

Johnson, D.R.; McClung, R.W.; Janney, M.A.

1987-08-01

A needs assessment was performed for nondestructive testing and materials characterization to achieve improved reliability in ceramic materials for heat engine applications. Raw materials, green state bodies, and sintered ceramics were considered. The overall approach taken to improve reliability of structural ceramics requires key inspections throughout the fabrication flowsheet, including raw materials, greed state, and dense parts. The applications of nondestructive inspection and characterization techniques to ceramic powders and other raw materials, green ceramics, and sintered ceramics are discussed. The current state of inspection technology is reviewed for all identified attributes and stages of a generalized flowsheet for advanced structuralmore » ceramics, and research and development requirements are identified and listed in priority order. 164 refs., 3 figs.« less

Tamoxifen citrate loaded ethosomes for transdermal drug delivery system: preparation and characterization.

PubMed

Sarwa, Khomendra Kumar; Suresh, Preeti K; Debnath, Manabendra; Ahmad, Mohammad Zaki

2013-08-01

Long term tamoxifen citrate therapy is imperative to treat several dermatological and hormonal sensitive disorders. Successful oral and parenteral administration of tamoxifen citrate has been challenging since it undergoes enzymatic degradation and has poor aqueous solubility issues. In the present work, tamoxifen citrate loaded ethosomes were prepared and characterized for transdermal applications. The prepared formulations were characterized for morphological features, particle size distribution, calorimetric attributes, zeta potential and drug entrapment. Permeation profile of prepared ethosomes was compared with liposomes and hydroethonalic solution across cellophane membrane and human cadaver skin. Results of the permeation studies indicate that ethosomes were able to deliver >90% drug within 24 hours of application, while liposomes and hydroethanolic solution delivered only 39.04% and 36.55% respectively. Skin deposition and stability studies are also reported.

Electrochemical capacitors: mechanism, materials, systems, characterization and applications.

PubMed

Wang, Yonggang; Song, Yanfang; Xia, Yongyao

2016-10-24

Electrochemical capacitors (i.e. supercapacitors) include electrochemical double-layer capacitors that depend on the charge storage of ion adsorption and pseudo-capacitors that are based on charge storage involving fast surface redox reactions. The energy storage capacities of supercapacitors are several orders of magnitude higher than those of conventional dielectric capacitors, but are much lower than those of secondary batteries. They typically have high power density, long cyclic stability and high safety, and thus can be considered as an alternative or complement to rechargeable batteries in applications that require high power delivery or fast energy harvesting. This article reviews the latest progress in supercapacitors in charge storage mechanisms, electrode materials, electrolyte materials, systems, characterization methods, and applications. In particular, the newly developed charge storage mechanism for intercalative pseudocapacitive behaviour, which bridges the gap between battery behaviour and conventional pseudocapacitive behaviour, is also clarified for comparison. Finally, the prospects and challenges associated with supercapacitors in practical applications are also discussed.

shinyGISPA: A web application for characterizing phenotype by gene sets using multiple omics data combinations.

PubMed

Dwivedi, Bhakti; Kowalski, Jeanne

2018-01-01

While many methods exist for integrating multi-omics data or defining gene sets, there is no one single tool that defines gene sets based on merging of multiple omics data sets. We present shinyGISPA, an open-source application with a user-friendly web-based interface to define genes according to their similarity in several molecular changes that are driving a disease phenotype. This tool was developed to help facilitate the usability of a previously published method, Gene Integrated Set Profile Analysis (GISPA), among researchers with limited computer-programming skills. The GISPA method allows the identification of multiple gene sets that may play a role in the characterization, clinical application, or functional relevance of a disease phenotype. The tool provides an automated workflow that is highly scalable and adaptable to applications that go beyond genomic data merging analysis. It is available at http://shinygispa.winship.emory.edu/shinyGISPA/.

shinyGISPA: A web application for characterizing phenotype by gene sets using multiple omics data combinations

PubMed Central

Dwivedi, Bhakti

2018-01-01

While many methods exist for integrating multi-omics data or defining gene sets, there is no one single tool that defines gene sets based on merging of multiple omics data sets. We present shinyGISPA, an open-source application with a user-friendly web-based interface to define genes according to their similarity in several molecular changes that are driving a disease phenotype. This tool was developed to help facilitate the usability of a previously published method, Gene Integrated Set Profile Analysis (GISPA), among researchers with limited computer-programming skills. The GISPA method allows the identification of multiple gene sets that may play a role in the characterization, clinical application, or functional relevance of a disease phenotype. The tool provides an automated workflow that is highly scalable and adaptable to applications that go beyond genomic data merging analysis. It is available at http://shinygispa.winship.emory.edu/shinyGISPA/. PMID:29415010

Novel solid state lasers for Lidar applications at 2 μm

NASA Astrophysics Data System (ADS)

Della Valle, G.; Galzerano, G.; Toncelli, A.; Tonelli, M.; Laporta, P.

2005-09-01

A review on the results achieved by our group in the development of novel solid-state lasers for Lidar applications at 2 μm is presented. These lasers, based on fluoride crystals (YLF4, BaY2F8, and KYF4) doped with Tm and Ho ions, are characterized by high-efficiency and wide wavelength tunability around 2 μm. Single crystals of LiYF4, BaY2F8, and KYF4 codoped with the same Tm3+ and Ho3+ concentrations were successfully grown by the Czochralski method. The full spectroscopic characterization of the different laser crystals and the comparison between the laser performance are presented. Continuous wave operation was efficiently demonstrated by means of a CW diode-pumping. These oscillators find interesting applications in the field of remote sensing (Lidar and Dial systems) as well as in high-resolution molecular spectroscopy, frequency metrology, and biomedical applications.

A characterization of workflow management systems for extreme-scale applications

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

Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia

We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less

A characterization of workflow management systems for extreme-scale applications

DOE PAGES

Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia; ...

2017-02-16

We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less

Innovations in microelectronics and solid state at North Carolina Agricultural and Technical State University

NASA Technical Reports Server (NTRS)

Williams, L., Jr.

1977-01-01

Research in the following areas is described: (1) Characterization and applications of metallic oxide devices; (2) Electronic properties and energy conversion in organic amorphous semiconductors; (3) Material growth and characterization directed toward improving 3-5 heterojunction solar cells.

Characterizing slow chemical exchange in nucleic acids by carbon CEST and low spin-lock field R(1ρ) NMR spectroscopy.

PubMed

Zhao, Bo; Hansen, Alexandar L; Zhang, Qi

2014-01-08

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R(1ρ) relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R(1ρ) RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR "invisible" state. The utility of CEST and low spin-lock field R(1ρ) RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s(-1).

Characterizing Slow Chemical Exchange in Nucleic Acids by Carbon CEST and Low Spin-Lock Field R1ρ NMR Spectroscopy

PubMed Central

Zhao, Bo; Hansen, Alexandar L.; Zhang, Qi

2016-01-01

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R1ρ relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R1ρ RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR “invisible” state. The utility of CEST and low spin-lock field R1ρ RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s−1. PMID:24299272

State-of-the-art characterization techniques for advanced lithium-ion batteries

NASA Astrophysics Data System (ADS)

Lu, Jun; Wu, Tianpin; Amine, Khalil

2017-03-01

To meet future needs for industries from personal devices to automobiles, state-of-the-art rechargeable lithium-ion batteries will require both improved durability and lowered costs. To enhance battery performance and lifetime, understanding electrode degradation mechanisms is of critical importance. Various advanced in situ and operando characterization tools developed during the past few years have proven indispensable for optimizing battery materials, understanding cell degradation mechanisms, and ultimately improving the overall battery performance. Here we review recent progress in the development and application of advanced characterization techniques such as in situ transmission electron microscopy for high-performance lithium-ion batteries. Using three representative electrode systems—layered metal oxides, Li-rich layered oxides and Si-based or Sn-based alloys—we discuss how these tools help researchers understand the battery process and design better battery systems. We also summarize the application of the characterization techniques to lithium-sulfur and lithium-air batteries and highlight the importance of those techniques in the development of next-generation batteries.

Synthesis and characterization of dihexyldithiocarbamate as a chelating agent in extraction of gold(III)

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

Fatimah, Soja Siti, E-mail: soja-sf@upi.edu; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University, Jl. Raya Bandung-Sumedang, Km. 21, Jatinangor; Bahti, Husein H.

2016-02-08

The use of dialkyldithiocarbamates as chelating agents of transition metals have been developing for decades. Many chelating agents have been synthesized and used in the extraction of the metals. Studies on particular aspects of extraction of the metals, such as the effect of increasing hydrophobicity of chelating agents on the effectiveness of the extraction, have been done. However, despite the many studies on the synthesis and applications of this type of chelating agents, interests in the aspect of molecular structure of the synthesized ligands and of their complexes, have been limited. This study aimed at synthesizing and characterizing dihexylthiocarbamate, andmore » using the ligand for the extraction of gold III). Characterization of the ligand and of its metal complex were done by using elemental analysis, DTG, and spectroscopic methods to include NMR, ({sup 1}H, and {sup 13}C), FTIR, and MS-ESI. Data on the synthesis, characterization, and the application of the ligand as a chelating agent are presented.« less

Synthesis and characterization of dihexyldithiocarbamate as a chelating agent in extraction of gold(III)

NASA Astrophysics Data System (ADS)

Fatimah, Soja Siti; Bahti, Husein H.; Hastiawan, Iwan; Permanasari, Anna

2016-02-01

The use of dialkyldithiocarbamates as chelating agents of transition metals have been developing for decades. Many chelating agents have been synthesized and used in the extraction of the metals. Studies on particular aspects of extraction of the metals, such as the effect of increasing hydrophobicity of chelating agents on the effectiveness of the extraction, have been done. However, despite the many studies on the synthesis and applications of this type of chelating agents, interests in the aspect of molecular structure of the synthesized ligands and of their complexes, have been limited. This study aimed at synthesizing and characterizing dihexylthiocarbamate, and using the ligand for the extraction of gold III). Characterization of the ligand and of its metal complex were done by using elemental analysis, DTG, and spectroscopic methods to include NMR, (1H, and 13C), FTIR, and MS-ESI. Data on the synthesis, characterization, and the application of the ligand as a chelating agent are presented.

Analysis of acoustic emission signals and monitoring of machining processes

PubMed

Govekar; Gradisek; Grabec

2000-03-01

Monitoring of a machining process on the basis of sensor signals requires a selection of informative inputs in order to reliably characterize and model the process. In this article, a system for selection of informative characteristics from signals of multiple sensors is presented. For signal analysis, methods of spectral analysis and methods of nonlinear time series analysis are used. With the aim of modeling relationships between signal characteristics and the corresponding process state, an adaptive empirical modeler is applied. The application of the system is demonstrated by characterization of different parameters defining the states of a turning machining process, such as: chip form, tool wear, and onset of chatter vibration. The results show that, in spite of the complexity of the turning process, the state of the process can be well characterized by just a few proper characteristics extracted from a representative sensor signal. The process characterization can be further improved by joining characteristics from multiple sensors and by application of chaotic characteristics.

The uniformity study of non-oxide thin film at device level using electron energy loss spectroscopy

NASA Astrophysics Data System (ADS)

Li, Zhi-Peng; Zheng, Yuankai; Li, Shaoping; Wang, Haifeng

2018-05-01

Electron energy loss spectroscopy (EELS) has been widely used as a chemical analysis technique to characterize materials chemical properties, such as element valence states, atoms/ions bonding environment. This study provides a new method to characterize physical properties (i.e., film uniformity, grain orientations) of non-oxide thin films in the magnetic device by using EELS microanalysis on scanning transmission electron microscope. This method is based on analyzing white line ratio of spectra and related extended energy loss fine structures so as to correlate it with thin film uniformity. This new approach can provide an effective and sensitive method to monitor/characterize thin film quality (i.e., uniformity) at atomic level for thin film development, which is especially useful for examining ultra-thin films (i.e., several nanometers) or embedded films in devices for industry applications. More importantly, this technique enables development of quantitative characterization of thin film uniformity and it would be a remarkably useful technique for examining various types of devices for industrial applications.

Extensional rheometry with a handheld mobile device

NASA Astrophysics Data System (ADS)

Marshall, Kristin A.; Liedtke, Aleesha M.; Todt, Anika H.; Walker, Travis W.

2017-06-01

The on-site characterization of complex fluids is important for a number of academic and industrial applications. Consequently, a need exists to develop portable rheometers that can provide in the field diagnostics and serve as tools for rapid quality assurance. With the advancement of smartphone technology and the widespread global ownership of smart devices, mobile applications are attractive as platforms for rheological characterization. The present work investigates the use of a smartphone device for the extensional characterization of a series of Boger fluids composed of glycerol/water and poly(ethylene oxide), taking advantage of the increasing high-speed video capabilities (currently up to 240 Hz capture rate at 720p) of smartphone cameras. We report a noticeable difference in the characterization of samples with slight variations in polymer concentration and discuss current device limitations. Potential benefits of a handheld extensional rheometer include its use as a point-of-care diagnostic tool, especially in developing communities, as well as a simple and inexpensive tool for assessing product quality in industry.

State of Fire Behavior Models and their Application to Ecosystem and Smoke Management Issues: Special Session Summary Report

DTIC Science & Technology

2013-10-24

advance fire science: (1) fire behavior, (2) ecological effects of fire, (3) carbon accounting , (4) emissions characterization, and (5) fire plume...relates to smoke management. 3) Carbon accounting in forest management and prescribed fire programs (including tradeoffs such as prescribed burning...carbon accounting , 4) emissions characterization and 5) fire plume dispersion. 1) Fire behavior. Better characterization of wildland fire behavior is

Ultrasound Imaging Techniques for Spatiotemporal Characterization of Composition, Microstructure, and Mechanical Properties in Tissue Engineering.

PubMed

Deng, Cheri X; Hong, Xiaowei; Stegemann, Jan P

2016-08-01

Ultrasound techniques are increasingly being used to quantitatively characterize both native and engineered tissues. This review provides an overview and selected examples of the main techniques used in these applications. Grayscale imaging has been used to characterize extracellular matrix deposition, and quantitative ultrasound imaging based on the integrated backscatter coefficient has been applied to estimating cell concentrations and matrix morphology in tissue engineering. Spectral analysis has been employed to characterize the concentration and spatial distribution of mineral particles in a construct, as well as to monitor mineral deposition by cells over time. Ultrasound techniques have also been used to measure the mechanical properties of native and engineered tissues. Conventional ultrasound elasticity imaging and acoustic radiation force imaging have been applied to detect regions of altered stiffness within tissues. Sonorheometry and monitoring of steady-state excitation and recovery have been used to characterize viscoelastic properties of tissue using a single transducer to both deform and image the sample. Dual-mode ultrasound elastography uses separate ultrasound transducers to produce a more potent deformation force to microscale characterization of viscoelasticity of hydrogel constructs. These ultrasound-based techniques have high potential to impact the field of tissue engineering as they are further developed and their range of applications expands.

Dynamic characterization of AFM probes by laser Doppler vibrometry and stroboscopic holographic methodologies

NASA Astrophysics Data System (ADS)

Kuppers, J. D.; Gouverneur, I. M.; Rodgers, M. T.; Wenger, J.; Furlong, C.

2006-08-01

In atomic probe microscopy, micro-probes of various sizes, geometries, and materials are used to define the interface between the samples under investigation and the measuring detectors and instrumentation. Therefore, measuring resolution in atomic probe microscopy is highly dependent on the transfer function characterizing the micro-probes used. In this paper, characterization of the dynamic transfer function of specific micro-cantilever probes used in an Atomic Force Microscope (AFM) operating in the tapping mode is presented. Characterization is based on the combined application of laser Doppler vibrometry (LDV) and real-time stroboscopic optoelectronic holographic microscopy (OEHM) methodologies. LDV is used for the rapid measurement of the frequency response of the probes due to an excitation function containing multiple frequency components. Data obtained from the measured frequency response is used to identify the principal harmonics. In order to identify mode shapes corresponding to the harmonics, full-field of view OEHM is applied. This is accomplished by measurements of motion at various points on the excitation curve surrounding the identified harmonics. It is shown that the combined application of LDV and OEHM enables the high-resolution characterization of mode shapes of vibration, damping characteristics, as well as transient response of the micro-cantilever probes. Such characterization is necessary in high-resolution AFM measurements.

Application of flow field-flow fractionation for the characterization of macromolecules of biological interest: a review

PubMed Central

Qureshi, Rashid Nazir

2010-01-01

An overview is given of the recent literature on (bio) analytical applications of flow field-flow fractionation (FlFFF). FlFFF is a liquid-phase separation technique that can separate macromolecules and particles according to size. The technique is increasingly used on a routine basis in a variety of application fields. In food analysis, FlFFF is applied to determine the molecular size distribution of starches and modified celluloses, or to study protein aggregation during food processing. In industrial analysis, it is applied for the characterization of polysaccharides that are used as thickeners and dispersing agents. In pharmaceutical and biomedical laboratories, FlFFF is used to monitor the refolding of recombinant proteins, to detect aggregates of antibodies, or to determine the size distribution of drug carrier particles. In environmental studies, FlFFF is used to characterize natural colloids in water streams, and especially to study trace metal distributions over colloidal particles. In this review, first a short discussion of the state of the art in instrumentation is given. Developments in the coupling of FlFFF to various detection modes are then highlighted. Finally, application studies are discussed and ordered according to the type of (bio) macromolecules or bioparticles that are fractionated. PMID:20957473

10 CFR 60.151 - Applicability.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Applicability. 60.151 Section 60.151 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN GEOLOGIC REPOSITORIES Quality... to activities related thereto. These activities include: site characterization, facility and...

10 CFR 60.151 - Applicability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Applicability. 60.151 Section 60.151 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN GEOLOGIC REPOSITORIES Quality... to activities related thereto. These activities include: site characterization, facility and...

Characterization of Carbon Nano-Onions for Heavy Metal Ion Remediation

EPA Science Inventory

Carbonaceous nanomaterials, such as fullerene C60, carbon nanotubes, and their functionalized derivatives have been demonstrated to possess high sorption capacity for organic and heavy metal contaminants, indicating a potential for remediation application. The actual application ...