SModelS v1.1 user manual: Improving simplified model constraints with efficiency maps

NASA Astrophysics Data System (ADS)

Ambrogi, Federico; Kraml, Sabine; Kulkarni, Suchita; Laa, Ursula; Lessa, Andre; Magerl, Veronika; Sonneveld, Jory; Traub, Michael; Waltenberger, Wolfgang

2018-06-01

SModelS is an automatized tool for the interpretation of simplified model results from the LHC. It allows to decompose models of new physics obeying a Z2 symmetry into simplified model components, and to compare these against a large database of experimental results. The first release of SModelS, v1.0, used only cross section upper limit maps provided by the experimental collaborations. In this new release, v1.1, we extend the functionality of SModelS to efficiency maps. This increases the constraining power of the software, as efficiency maps allow to combine contributions to the same signal region from different simplified models. Other new features of version 1.1 include likelihood and χ2 calculations, extended information on the topology coverage, an extended database of experimental results as well as major speed upgrades for both the code and the database. We describe in detail the concepts and procedures used in SModelS v1.1, explaining in particular how upper limits and efficiency map results are dealt with in parallel. Detailed instructions for code usage are also provided.

Scalable Video Transmission Over Multi-Rate Multiple Access Channels

DTIC Science & Technology

2007-06-01

Rate - compatible punctured convolutional codes (RCPC codes ) and their ap- plications,” IEEE...source encoded using the MPEG-4 video codec. The source encoded bitstream is then channel encoded with Rate Compatible Punctured Convolutional (RCPC...Clark, and J. M. Geist, “ Punctured convolutional codes or rate (n-1)/n and simplified maximum likelihood decoding,” IEEE Transactions on

Demonstration of fully coupled simplified extended station black-out accident simulation with RELAP-7

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

Zhao, Haihua; Zhang, Hongbin; Zou, Ling

2014-10-01

The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The RELAP-7 code develop-ment effort started in October of 2011 and by the end of the second development year, a number of physical components with simplified two phase flow capability have been de-veloped to support the simplified boiling water reactor (BWR) extended station blackout (SBO) analyses. The demonstration case includes the major components for the primary system of a BWR, as well as the safety system components for the safety relief valve (SRV), the reactor core isolation cooling (RCIC)more » system, and the wet well. Three scenar-ios for the SBO simulations have been considered. Since RELAP-7 is not a severe acci-dent analysis code, the simulation stops when fuel clad temperature reaches damage point. Scenario I represents an extreme station blackout accident without any external cooling and cooling water injection. The system pressure is controlled by automatically releasing steam through SRVs. Scenario II includes the RCIC system but without SRV. The RCIC system is fully coupled with the reactor primary system and all the major components are dynamically simulated. The third scenario includes both the RCIC system and the SRV to provide a more realistic simulation. This paper will describe the major models and dis-cuss the results for the three scenarios. The RELAP-7 simulations for the three simplified SBO scenarios show the importance of dynamically simulating the SRVs, the RCIC sys-tem, and the wet well system to the reactor safety during extended SBO accidents.« less

A new technique for calculations of binary stellar evolution, with application to magnetic braking

NASA Technical Reports Server (NTRS)

Rappaport, S.; Joss, P. C.; Verbunt, F.

1983-01-01

The development of appropriate computer programs has made it possible to conduct studies of stellar evolution which are more detailed and accurate than the investigations previously feasible. However, the use of such programs can also entail some serious drawbacks which are related to the time and expense required for the work. One approach for overcoming these drawbacks involves the employment of simplified stellar evolution codes which incorporate the essential physics of the problem of interest without attempting either great generality or maximal accuracy. Rappaport et al. (1982) have developed a simplified code to study the evolution of close binary stellar systems composed of a collapsed object and a low-mass secondary. The present investigation is concerned with a more general, but still simplified, technique for calculating the evolution of close binary systems with collapsed binaries and mass-losing secondaries.

A simplified procedure for correcting both errors and erasures of a Reed-Solomon code using the Euclidean algorithm

NASA Technical Reports Server (NTRS)

Truong, T. K.; Hsu, I. S.; Eastman, W. L.; Reed, I. S.

1987-01-01

It is well known that the Euclidean algorithm or its equivalent, continued fractions, can be used to find the error locator polynomial and the error evaluator polynomial in Berlekamp's key equation needed to decode a Reed-Solomon (RS) code. A simplified procedure is developed and proved to correct erasures as well as errors by replacing the initial condition of the Euclidean algorithm by the erasure locator polynomial and the Forney syndrome polynomial. By this means, the errata locator polynomial and the errata evaluator polynomial can be obtained, simultaneously and simply, by the Euclidean algorithm only. With this improved technique the complexity of time domain RS decoders for correcting both errors and erasures is reduced substantially from previous approaches. As a consequence, decoders for correcting both errors and erasures of RS codes can be made more modular, regular, simple, and naturally suitable for both VLSI and software implementation. An example illustrating this modified decoding procedure is given for a (15, 9) RS code.

Dynamics of face and annular seals with two-phase flow

NASA Technical Reports Server (NTRS)

Hughes, William F.; Basu, Prithwish; Beatty, Paul A.; Beeler, Richard M.; Lau, Stephen

1988-01-01

A detailed study was made of face and annular seals under conditions where boiling, i.e., phase change of the leaking fluid, occurs within the seal. Many seals operate in this mode because of flashing due to pressure drop and/or heat input from frictional heating. Some of the distinctive behavior characteristics of two phase seals are discussed, particularly their axial stability. The main conclusions are that seals with two phase flow may be unstable if improperly balanced. Detailed theoretical analyses of low (laminar) and high (turbulent) leakage seals are presented along with computer codes, parametric studies, and in particular a simplified PC based code that allows for rapid performance prediction: calculations of stiffness coefficients, temperature and pressure distributions, and leakage rates for parallel and coned face seals. A simplified combined computer code for the performance prediction over the laminar and turbulent ranges of a two phase flow is described and documented. The analyses, results, and computer codes are summarized.

DRG coding practice: a nationwide hospital survey in Thailand

PubMed Central

2011-01-01

Background Diagnosis Related Group (DRG) payment is preferred by healthcare reform in various countries but its implementation in resource-limited countries has not been fully explored. Objectives This study was aimed (1) to compare the characteristics of hospitals in Thailand that were audited with those that were not and (2) to develop a simplified scale to measure hospital coding practice. Methods A questionnaire survey was conducted of 920 hospitals in the Summary and Coding Audit Database (SCAD hospitals, all of which were audited in 2008 because of suspicious reports of possible DRG miscoding); the questionnaire also included 390 non-SCAD hospitals. The questionnaire asked about general demographics of the hospitals, hospital coding structure and process, and also included a set of 63 opinion-oriented items on the current hospital coding practice. Descriptive statistics and exploratory factor analysis (EFA) were used for data analysis. Results SCAD and Non-SCAD hospitals were different in many aspects, especially the number of medical statisticians, experience of medical statisticians and physicians, as well as number of certified coders. Factor analysis revealed a simplified 3-factor, 20-item model to assess hospital coding practice and classify hospital intention. Conclusion Hospital providers should not be assumed capable of producing high quality DRG codes, especially in resource-limited settings. PMID:22040256

Correcting quantum errors with entanglement.

PubMed

Brun, Todd; Devetak, Igor; Hsieh, Min-Hsiu

2006-10-20

We show how entanglement shared between encoder and decoder can simplify the theory of quantum error correction. The entanglement-assisted quantum codes we describe do not require the dual-containing constraint necessary for standard quantum error-correcting codes, thus allowing us to "quantize" all of classical linear coding theory. In particular, efficient modern classical codes that attain the Shannon capacity can be made into entanglement-assisted quantum codes attaining the hashing bound (closely related to the quantum capacity). For systems without large amounts of shared entanglement, these codes can also be used as catalytic codes, in which a small amount of initial entanglement enables quantum communication.

An Analysis of the Effect of Knowledge Management on the Execution of Simplified Acquisition Procedures

DTIC Science & Technology

2012-12-27

of Work UCC Uniform Commercial Code USD(AT&L) Under Secretary of Defense for Acquisition, Technology, and Logistics WBS Work Breakdown Structure...intensive career field. The FAR, the DFARS, and other federal agency supplements of the FAR, the Uniform Commercial Code ( UCC ), installation guidelines

Approximated transport-of-intensity equation for coded-aperture x-ray phase-contrast imaging.

PubMed

Das, Mini; Liang, Zhihua

2014-09-15

Transport-of-intensity equations (TIEs) allow better understanding of image formation and assist in simplifying the "phase problem" associated with phase-sensitive x-ray measurements. In this Letter, we present for the first time to our knowledge a simplified form of TIE that models x-ray differential phase-contrast (DPC) imaging with coded-aperture (CA) geometry. The validity of our approximation is demonstrated through comparison with an exact TIE in numerical simulations. The relative contributions of absorption, phase, and differential phase to the acquired phase-sensitive intensity images are made readily apparent with the approximate TIE, which may prove useful for solving the inverse phase-retrieval problem associated with these CA geometry based DPC.

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

NASA Technical Reports Server (NTRS)

Bittker, D. A.

1993-01-01

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Mathematical description of complex chemical kinetics and application to CFD modeling codes

NASA Technical Reports Server (NTRS)

Bittker, D. A.

1993-01-01

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Guidelines and Metrics for Assessing Space System Cost Estimates

DTIC Science & Technology

2008-01-01

analysis time, reuse tooling, models , mechanical ground-support equipment [MGSE]) High mass margin ( simplifying assumptions used to bound solution...engineering environment changes High reuse of architecture, design , tools, code, test scripts, and commercial real- time operating systems Simplified life...Coronal Explorer TWTA traveling wave tube amplifier USAF U.S. Air Force USCM Unmanned Space Vehicle Cost Model USN U.S. Navy UV ultraviolet UVOT UV

Impacts-BRC (below regulatory concern): The microcomputer version

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

Campbell, J.E.; O'Neal, B.L.

1989-01-01

The IMPACTS-BRC computer code was designed for use by the Nuclear Regulatory Commission and industry to evaluate petitions to classify specific waste streams as below regulatory concern (BRC). The code provides a capability for calculating radiation doses to a maximal individual, critical group, and the general population as a result of transportation, treatment, disposal, and post-disposal activities involving low level radioactive waste. Since IMPACTS-BRC is expected to be widely used, the code has been adapted for use on a microcomputer. The microcomputer version of the code provides several features that simplify its use and broaden its applicability. These features includemore » (1) a menu-driven environment, (2) an input editor to simplify creation and editing of input files, (3) default input values and help screens to guide the user in analyzing a particular problem, (4) the ability to perform both parametric studies and Monte Carlo analysis to examine uncertainties, and (5) interactive graphics and statistics output. This paper describes the microcomputer version of IMPACTS-BRC and illustrates its use through an example application. 5 refs., 5 figs., 3 tabs.« less

Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution: A Rietveld study

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

Pandey, Rishikesh, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in

2014-07-28

We present here the results of structural studies on multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 ≤ x ≤ 0.55. The stability region of various crystallographic phases at room temperature for (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} is determined precisely. Structural transformation from pseudo-cubic (x ≤ 0.40) to tetragonal (x ≥ 0.50) phase is observed via phase coexistence region demarcating the morphotropic phase boundary. The morphotropic phase boundary region consists of coexisting tetragonal and monoclinic structures with space group P4mm and Pm, respectively, stable in composition range 0.41 ≤ x ≤ 0.49 as confirmed by Rietveld analysis. The resultsmore » of Rietveld analysis completely rule out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier workers. A comparison between the bond lengths for “B-site cations-oxygen anions” obtained after Rietveld refinement, with the bond length calculated using Shannon-Prewitt ionic radii, reveals the ionic nature of B-O (Ni/Ti-O) bonds for the cubic phase and partial covalent character for the other crystallographic phases.« less

Synchrotron Powder X-ray Diffraction Study of the Structure and Dehydration Behavior of Sepiolite

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

Post,J.; Bish, D.; Heaney, P.

2007-01-01

Rietveld refinements using synchrotron powder X-ray diffraction data were used to study the crystal structure and dehydration behavior of sepiolite from Durango, Mexico. The room-temperature (RT) sepiolite structure in air compares well with previous models but reveals an additional zeolitic H{sub 2}O site. The RT structure under vacuum retained only {approx}1/8 of the zeolitic H{sub 2}O and the volume decreased by 1.3%. Real-time, temperature-resolved synchrotron powder X-ray diffraction data and Rietveld refinements were used to investigate the behavior of the sepiolite structure from 300 to 925 K. Rietveld refinements revealed that most of the zeolitic H{sub 2}O is lost bymore » {approx}390 K, accompanied by a decrease in the a and c unit-cell parameters. Above {approx}600 K the sepiolite structure folds as one-half of the crystallographically bound H{sub 2}O is lost. Rietveld refinements of the 'anhydrous' sepiolite structure reveal that, in general, unit-cell parameters a and b and volume steadily decrease with increasing temperature; there is an obvious change in slope at {approx}820 K suggesting a phase transformation coinciding with the loss of the remaining bound H{sub 2}O molecule.« less

Extension, validation and application of the NASCAP code

NASA Technical Reports Server (NTRS)

Katz, I.; Cassidy, J. J., III; Mandell, M. J.; Schnuelle, G. W.; Steen, P. G.; Parks, D. E.; Rotenberg, M.; Alexander, J. H.

1979-01-01

Numerous extensions were made in the NASCAP code. They fall into three categories: a greater range of definable objects, a more sophisticated computational model, and simplified code structure and usage. An important validation of NASCAP was performed using a new two dimensional computer code (TWOD). An interactive code (MATCHG) was written to compare material parameter inputs with charging results. The first major application of NASCAP was performed on the SCATHA satellite. Shadowing and charging calculation were completed. NASCAP was installed at the Air Force Geophysics Laboratory, where researchers plan to use it to interpret SCATHA data.

Protograph LDPC Codes Over Burst Erasure Channels

NASA Technical Reports Server (NTRS)

Divsalar, Dariush; Dolinar, Sam; Jones, Christopher

2006-01-01

In this paper we design high rate protograph based LDPC codes suitable for binary erasure channels. To simplify the encoder and decoder implementation for high data rate transmission, the structure of codes are based on protographs and circulants. These LDPC codes can improve data link and network layer protocols in support of communication networks. Two classes of codes were designed. One class is designed for large block sizes with an iterative decoding threshold that approaches capacity of binary erasure channels. The other class is designed for short block sizes based on maximizing minimum stopping set size. For high code rates and short blocks the second class outperforms the first class.

Re-engineering NASA's space communications to remain viable in a constrained fiscal environment

NASA Astrophysics Data System (ADS)

Hornstein, Rhoda Shaller; Hei, Donald J., Jr.; Kelly, Angelita C.; Lightfoot, Patricia C.; Bell, Holland T.; Cureton-Snead, Izeller E.; Hurd, William J.; Scales, Charles H.

1994-11-01

Along with the Red and Blue Teams commissioned by the NASA Administrator in 1992, NASA's Associate Administrator for Space Communications commissioned a Blue Team to review the Office of Space Communications (Code O) Core Program and determine how the program could be conducted faster, better, and cheaper. Since there was no corresponding Red Team for the Code O Blue Team, the Blue Team assumed a Red Team independent attitude and challenged the status quo, including current work processes, functional distinctions, interfaces, and information flow, as well as traditional management and system development practices. The Blue Team's unconstrained, non-parochial, and imaginative look at NASA's space communications program produced a simplified representation of the space communications infrastructure that transcends organizational and functional boundaries, in addition to existing systems and facilities. Further, the Blue Team adapted the 'faster, better, cheaper' charter to be relevant to the multi-mission, continuous nature of the space communications program and to serve as a gauge for improving customer services concurrent with achieving more efficient operations and infrastructure life cycle economies. This simplified representation, together with the adapted metrics, offers a future view and process model for reengineering NASA's space communications to remain viable in a constrained fiscal environment. Code O remains firm in its commitment to improve productivity, effectiveness, and efficiency. In October 1992, the Associate Administrator reconstituted the Blue Team as the Code O Success Team (COST) to serve as a catalyst for change. In this paper, the COST presents the chronicle and significance of the simplified representation and adapted metrics, and their application during the FY 1993-1994 activities.

Re-engineering NASA's space communications to remain viable in a constrained fiscal environment

NASA Technical Reports Server (NTRS)

Hornstein, Rhoda Shaller; Hei, Donald J., Jr.; Kelly, Angelita C.; Lightfoot, Patricia C.; Bell, Holland T.; Cureton-Snead, Izeller E.; Hurd, William J.; Scales, Charles H.

1994-01-01

Along with the Red and Blue Teams commissioned by the NASA Administrator in 1992, NASA's Associate Administrator for Space Communications commissioned a Blue Team to review the Office of Space Communications (Code O) Core Program and determine how the program could be conducted faster, better, and cheaper. Since there was no corresponding Red Team for the Code O Blue Team, the Blue Team assumed a Red Team independent attitude and challenged the status quo, including current work processes, functional distinctions, interfaces, and information flow, as well as traditional management and system development practices. The Blue Team's unconstrained, non-parochial, and imaginative look at NASA's space communications program produced a simplified representation of the space communications infrastructure that transcends organizational and functional boundaries, in addition to existing systems and facilities. Further, the Blue Team adapted the 'faster, better, cheaper' charter to be relevant to the multi-mission, continuous nature of the space communications program and to serve as a gauge for improving customer services concurrent with achieving more efficient operations and infrastructure life cycle economies. This simplified representation, together with the adapted metrics, offers a future view and process model for reengineering NASA's space communications to remain viable in a constrained fiscal environment. Code O remains firm in its commitment to improve productivity, effectiveness, and efficiency. In October 1992, the Associate Administrator reconstituted the Blue Team as the Code O Success Team (COST) to serve as a catalyst for change. In this paper, the COST presents the chronicle and significance of the simplified representation and adapted metrics, and their application during the FY 1993-1994 activities.

Industrial Code Development

NASA Technical Reports Server (NTRS)

Shapiro, Wilbur

1991-01-01

The industrial codes will consist of modules of 2-D and simplified 2-D or 1-D codes, intended for expeditious parametric studies, analysis, and design of a wide variety of seals. Integration into a unified system is accomplished by the industrial Knowledge Based System (KBS), which will also provide user friendly interaction, contact sensitive and hypertext help, design guidance, and an expandable database. The types of analysis to be included with the industrial codes are interfacial performance (leakage, load, stiffness, friction losses, etc.), thermoelastic distortions, and dynamic response to rotor excursions. The first three codes to be completed and which are presently being incorporated into the KBS are the incompressible cylindrical code, ICYL, and the compressible cylindrical code, GCYL.

Energy balance in TM-1-MH Tokamak (ohmical heating)

NASA Astrophysics Data System (ADS)

Stoeckel, J.; Koerbel, S.; Kryska, L.; Kopecky, V.; Dadalec, V.; Datlov, J.; Jakubka, K.; Magula, P.; Zacek, F.; Pereverzev, G. V.

1981-10-01

Plasma in the TM-1-MH Tokamak was experimentally studied in the parameter range: tor. mg. field B = 1,3 T, plasma current I sub p = 14 kA, electron density N sub E 3.10 to the 19th power cubic meters. The two numerical codes are available for the comparison with experimental data. TOKATA-code solves simplified energy balance equations for electron and ion components. TOKSAS-code solves the detailed energy balance of the ion component.

Predictions of GPS X-Set Performance during the Places Experiment

DTIC Science & Technology

1979-07-01

previously existing GPS X-set receiver simulation was modified to include the received signal spectrum and the receiver code correlation operation... CORRELATION OPERATION The X-set receiver simulation documented in Reference 3-1 is a direct sampled -data digital implementation of the GPS X-set...ul(t) -sin w2t From Carrier and Code Loops (wit +0 1 (t)) Figure 3-6. Simplified block diagram of code correlator operation and I-Q sampling . 6 I

3DHZETRN: Inhomogeneous Geometry Issues

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.

2017-01-01

Historical methods for assessing radiation exposure inside complicated geometries for space applications were limited by computational constraints and lack of knowledge associated with nuclear processes occurring over a broad range of particles and energies. Various methods were developed and utilized to simplify geometric representations and enable coupling with simplified but efficient particle transport codes. Recent transport code development efforts, leading to 3DHZETRN, now enable such approximate methods to be carefully assessed to determine if past exposure analyses and validation efforts based on those approximate methods need to be revisited. In this work, historical methods of representing inhomogeneous spacecraft geometry for radiation protection analysis are first reviewed. Two inhomogeneous geometry cases, previously studied with 3DHZETRN and Monte Carlo codes, are considered with various levels of geometric approximation. Fluence, dose, and dose equivalent values are computed in all cases and compared. It is found that although these historical geometry approximations can induce large errors in neutron fluences up to 100 MeV, errors on dose and dose equivalent are modest (<10%) for the cases studied here.

FPGA implementation of low complexity LDPC iterative decoder

NASA Astrophysics Data System (ADS)

Verma, Shivani; Sharma, Sanjay

2016-07-01

Low-density parity-check (LDPC) codes, proposed by Gallager, emerged as a class of codes which can yield very good performance on the additive white Gaussian noise channel as well as on the binary symmetric channel. LDPC codes have gained lots of importance due to their capacity achieving property and excellent performance in the noisy channel. Belief propagation (BP) algorithm and its approximations, most notably min-sum, are popular iterative decoding algorithms used for LDPC and turbo codes. The trade-off between the hardware complexity and the decoding throughput is a critical factor in the implementation of the practical decoder. This article presents introduction to LDPC codes and its various decoding algorithms followed by realisation of LDPC decoder by using simplified message passing algorithm and partially parallel decoder architecture. Simplified message passing algorithm has been proposed for trade-off between low decoding complexity and decoder performance. It greatly reduces the routing and check node complexity of the decoder. Partially parallel decoder architecture possesses high speed and reduced complexity. The improved design of the decoder possesses a maximum symbol throughput of 92.95 Mbps and a maximum of 18 decoding iterations. The article presents implementation of 9216 bits, rate-1/2, (3, 6) LDPC decoder on Xilinx XC3D3400A device from Spartan-3A DSP family.

Playing Music, Playing with Music: A Proposal for Music Coding in Primary School

ERIC Educational Resources Information Center

Baratè, Adriano; Ludovico, Luca Andrea; Mangione, Giuseppina Rita; Rosa, Alessia

2015-01-01

In this work we will introduce the concept of "music coding," namely a new discipline that employs basic music activities and simplified languages to teach the computational way of thinking to musically-untrained children who attend the primary school. In this context, music represents both a mean and a goal: in fact, from one side…

Rietveld analysis of X-ray powder diffraction patterns as a potential tool for the identification of impact-deformed carbonate rocks

NASA Astrophysics Data System (ADS)

Huson, S. A.; Foit, F. F.; Watkinson, A. J.; Pope, M. C.

2009-12-01

Previous X-ray powder diffraction (XRD) studies revealed that shock deformed carbonates and quartz have broader XRD patterns than those of unshocked samples. Entire XRD patterns, single peak profiles and Rietveld refined parameters of carbonate samples from the Sierra Madera impact crater, west Texas, unshocked equivalent samples from 95 miles north of the crater and the Mission Canyon Formation of southwest Montana and western Wyoming were used to evaluate the use of X-ray powder diffraction as a potential tool for distinguishing impact deformed rocks from unshocked and tectonically deformed rocks. At Sierra Madera dolostone and limestone samples were collected from the crater rim (lower shock intensity) and the central uplift (higher shock intensity). Unshocked equivalent dolostone samples were collected from well cores drilled outside of the impact crater. Carbonate rocks of the Mission Canyon Formation were sampled along a transect across the tectonic front of the Sevier and Laramide orogenic belts. Whereas calcite subjected to significant shock intensities at the Sierra Madera impact crater can be differentiated from tectonically deformed calcite from the Mission Canyon Formation using Rietveld refined peak profiles, weakly shocked calcite from the crater rim appears to be indistinguishable from the tectonically deformed calcite. In contrast, Rietveld analysis readily distinguishes shocked Sierra Madera dolomite from unshocked equivalent dolostone samples from outside the crater and tectonically deformed Mission Canyon Formation dolomite.

A simplified method in comparison with comprehensive interaction incremental dynamic analysis to assess seismic performance of jacket-type offshore platforms

NASA Astrophysics Data System (ADS)

Zolfaghari, M. R.; Ajamy, A.; Asgarian, B.

2015-12-01

The primary goal of seismic reassessment procedures in oil platform codes is to determine the reliability of a platform under extreme earthquake loading. Therefore, in this paper, a simplified method is proposed to assess seismic performance of existing jacket-type offshore platforms (JTOP) in regions ranging from near-elastic to global collapse. The simplified method curve exploits well agreement between static pushover (SPO) curve and the entire summarized interaction incremental dynamic analysis (CI-IDA) curve of the platform. Although the CI-IDA method offers better understanding and better modelling of the phenomenon, it is a time-consuming and challenging task. To overcome the challenges, the simplified procedure, a fast and accurate approach, is introduced based on SPO analysis. Then, an existing JTOP in the Persian Gulf is presented to illustrate the procedure, and finally a comparison is made between the simplified method and CI-IDA results. The simplified method is very informative and practical for current engineering purposes. It is able to predict seismic performance elasticity to global dynamic instability with reasonable accuracy and little computational effort.

High Order Schemes in BATS-R-US: Is it OK to Simplify Them?

NASA Astrophysics Data System (ADS)

Tóth, G.; Chen, Y.; van der Holst, B.; Daldorff, L. K. S.

2014-09-01

We describe a number of high order schemes and their simplified variants that have been implemented into the University of Michigan global magnetohydrodynamics code BATS-R-US. We compare the various schemes with each other and the legacy 2nd order TVD scheme for various test problems and two space physics applications. We find that the simplified schemes are often quite competitive with the more complex and expensive full versions, despite the fact that the simplified versions are only high order accurate for linear systems of equations. We find that all the high order schemes require some fixes to ensure positivity in the space physics applications. On the other hand, they produce superior results as compared with the second order scheme and/or produce the same quality of solution at a much reduced computational cost.

The SENSEI Generic In Situ Interface

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

Ayachit, Utkarsh; Whitlock, Brad; Wolf, Matthew

The SENSEI generic in situ interface is an API that promotes code portability and reusability. From the simulation view, a developer can instrument their code with the SENSEI API and then make make use of any number of in situ infrastructures. From the method view, a developer can write an in situ method using the SENSEI API, then expect it to run in any number of in situ infrastructures, or be invoked directly from a simulation code, with little or no modification. This paper presents the design principles underlying the SENSEI generic interface, along with some simplified coding examples.

Report on FY15 alloy 617 code rules development

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

Sham, Sam; Jetter, Robert I; Hollinger, Greg

2015-09-01

Due to its strength at very high temperatures, up to 950°C (1742°F), Alloy 617 is the reference construction material for structural components that operate at or near the outlet temperature of the very high temperature gas-cooled reactors. However, the current rules in the ASME Section III, Division 5 Subsection HB, Subpart B for the evaluation of strain limits and creep-fatigue damage using simplified methods based on elastic analysis have been deemed inappropriate for Alloy 617 at temperatures above 650°C (1200°F) (Corum and Brass, Proceedings of ASME 1991 Pressure Vessels and Piping Conference, PVP-Vol. 215, p.147, ASME, NY, 1991). The rationalemore » for this exclusion is that at higher temperatures it is not feasible to decouple plasticity and creep, which is the basis for the current simplified rules. This temperature, 650°C (1200°F), is well below the temperature range of interest for this material for the high temperature gas-cooled reactors and the very high temperature gas-cooled reactors. The only current alternative is, thus, a full inelastic analysis requiring sophisticated material models that have not yet been formulated and verified. To address these issues, proposed code rules have been developed which are based on the use of elastic-perfectly plastic (EPP) analysis methods applicable to very high temperatures. The proposed rules for strain limits and creep-fatigue evaluation were initially documented in the technical literature (Carter, Jetter and Sham, Proceedings of ASME 2012 Pressure Vessels and Piping Conference, papers PVP 2012 28082 and PVP 2012 28083, ASME, NY, 2012), and have been recently revised to incorporate comments and simplify their application. Background documents have been developed for these two code cases to support the ASME Code committee approval process. These background documents for the EPP strain limits and creep-fatigue code cases are documented in this report.« less

Rietveld Refinement on X-Ray Diffraction Patterns of Bioapatite in Human Fetal Bones

PubMed Central

Meneghini, Carlo; Dalconi, Maria Chiara; Nuzzo, Stefania; Mobilio, Settimio; Wenk, Rudy H.

2003-01-01

Bioapatite, the main constituent of mineralized tissue in mammalian bones, is a calcium-phosphate-based mineral that is similar in structure and composition to hydroxyapatite. In this work, the crystallographic structure of bioapatite in human fetuses was investigated by synchrotron radiation x-ray diffraction (XRD) and microdiffraction (μ-XRD) techniques. Rietveld refinement analyses of XRD and μ-XRD data allow for quantitative probing of the structural modifications of bioapatite as functions of the mineralization process and gestational age. PMID:12609904

Rietveld analysis of the cubic crystal structure of Na-stabilized zirconia

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

Fagherazzi, G.; Canton, P.; Benedetti, A.

Using x-ray Rietveld analysis the fcc (fluorite-type) structure of a Na-containing nanocrystalline zirconia powder (9.5 nm estimated of crystallite size) obtained by precipitation and subsequent calcination has been confirmed. The result shows that using conventional x-ray diffraction techniques the cubic crystallographic form of ZrO{sub 2} from the tetragonal one in nanosized powders. These conclusions are supported by the findings of independent Raman scattering experiments. {copyright} {ital 1997 Materials Research Society.}

EOSlib, Version 3

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

Woods, Nathan; Menikoff, Ralph

2017-02-03

Equilibrium thermodynamics underpins many of the technologies used throughout theoretical physics, yet verification of the various theoretical models in the open literature remains challenging. EOSlib provides a single, consistent, verifiable implementation of these models, in a single, easy-to-use software package. It consists of three parts: a software library implementing various published equation-of-state (EOS) models; a database of fitting parameters for various materials for these models; and a number of useful utility functions for simplifying thermodynamic calculations such as computing Hugoniot curves or Riemann problem solutions. Ready availability of this library will enable reliable code-to- code testing of equation-of-state implementations, asmore » well as a starting point for more rigorous verification work. EOSlib also provides a single, consistent API for its analytic and tabular EOS models, which simplifies the process of comparing models for a particular application.« less

MODTRAN6: a major upgrade of the MODTRAN radiative transfer code

NASA Astrophysics Data System (ADS)

Berk, Alexander; Conforti, Patrick; Kennett, Rosemary; Perkins, Timothy; Hawes, Frederick; van den Bosch, Jeannette

2014-06-01

The MODTRAN6 radiative transfer (RT) code is a major advancement over earlier versions of the MODTRAN atmospheric transmittance and radiance model. This version of the code incorporates modern software ar- chitecture including an application programming interface, enhanced physics features including a line-by-line algorithm, a supplementary physics toolkit, and new documentation. The application programming interface has been developed for ease of integration into user applications. The MODTRAN code has been restructured towards a modular, object-oriented architecture to simplify upgrades as well as facilitate integration with other developers' codes. MODTRAN now includes a line-by-line algorithm for high resolution RT calculations as well as coupling to optical scattering codes for easy implementation of custom aerosols and clouds.

Further Improvement of the RITS Code for Pulsed Neutron Bragg-edge Transmission Imaging

NASA Astrophysics Data System (ADS)

Sato, H.; Watanabe, K.; Kiyokawa, K.; Kiyanagi, R.; Hara, K. Y.; Kamiyama, T.; Furusaka, M.; Shinohara, T.; Kiyanagi, Y.

The RITS code is a unique and powerful tool for a whole Bragg-edge transmission spectrum fitting analysis. However, it has had two major problems. Therefore, we have proposed methods to overcome these problems. The first issue is the difference in the crystallite size values between the diffraction and the Bragg-edge analyses. We found the reason was a different definition of the crystal structure factor. It affects the crystallite size because the crystallite size is deduced from the primary extinction effect which depends on the crystal structure factor. As a result of algorithm change, crystallite sizes obtained by RITS drastically approached to crystallite sizes obtained by Rietveld analyses of diffraction data; from 155% to 110%. The second issue is correction of the effect of background neutrons scattered from a specimen. Through neutron transport simulation studies, we found that the background components consist of forward Bragg scattering, double backward Bragg scattering, and thermal diffuse scattering. RITS with the background correction function which was developed through the simulation studies could well reconstruct various simulated and experimental transmission spectra, but refined crystalline microstructural parameters were often distorted. Finally, it was recommended to reduce the background by improving experimental conditions.

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

Prasad, M.K.; Kershaw, D.S.; Shaw, M.J.

The authors present detailed features of the ICF3D hydrodynamics code used for inertial fusion simulations. This code is intended to be a state-of-the-art upgrade of the well-known fluid code, LASNEX. ICF3D employs discontinuous finite elements on a discrete unstructured mesh consisting of a variety of 3D polyhedra including tetrahedra, prisms, and hexahedra. The authors discussed details of how the ROE-averaged second-order convection was applied on the discrete elements, and how the C++ coding interface has helped to simplify implementing the many physics and numerics modules within the code package. The author emphasized the virtues of object-oriented design in large scalemore » projects such as ICF3D.« less

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

Dalal, M.; Mallick, A.; Mahapatra, A.S.

Highlights: • Cation distribution in tetrahedral and octahedral sites of spinel Ni{sub 0.4}Zn{sub 0.4}Co{sub 0.2}Fe{sub 2}O{sub 4}. • Structural analysis of observed X-ray diffraction pattern using Rietveld method. • Study of hyperfine behaviour using Mössbauer spectroscopy. • Static and dynamic magnetic measurements. • Correlation of cation distributions obtained from Rietveld analysis with the results of magnetic and Mössbauer effect measurements. - Abstract: Nanoparticles of Ni{sub 0.4}Zn{sub 0.4}Co{sub 0.2}Fe{sub 2}O{sub 4} are prepared by a simple co-precipitation method. The as dried sample is heat treated at 400, 500, 600, 700 and 800 °C to obtain different sizes of nanoparticles. The crystallographicmore » phase of the samples is confirmed analyzing observed X-ray diffraction (XRD) by Rietveld method. Hyperfine parameters of the samples are derived from room temperature (RT) Mössbauer spectra of the samples. Magnetic properties of the samples are investigated by static and dynamic hysteresis loops. Different magneto-crystalline parameters are calculated from the variation of magnetization with temperature (M–T curve) under zero field cooled (ZFC) and field cooled (FC) conditions of the as dried sample. The cation distribution estimated from Rietveld analysis are correlated with the results of magnetic and Mössbauer effect measurements. The observed high value of saturation magnetization (72.7 emu/g at RT) of the sample annealed at 800 °C would be interesting for applications in different electromagnetic devices.« less

Computer Aided Self-Forging Fragment Design,

DTIC Science & Technology

1978-06-01

This value is reached so quickly that HEMP solutions using work hardening and those using only elastic—perfectly plastic formulations are quite...Elastic— Plastic Flow, UCRL—7322 , Lawrence Radiation Laboratory , Livermore , California (1969) . 4. Giroux , E. D . , HEMP Users Manual, UCRL—5l079...Laboratory, the HEMP computer code has been developed to serve as an effective design tool to simplify this task considerably. Using this code, warheads 78 06

A multiblock/multizone code (PAB 3D-v2) for the three-dimensional Navier-Stokes equations: Preliminary applications

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.

1990-01-01

The development and applications of multiblock/multizone and adaptive grid methodologies for solving the three-dimensional simplified Navier-Stokes equations are described. Adaptive grid and multiblock/multizone approaches are introduced and applied to external and internal flow problems. These new implementations increase the capabilities and flexibility of the PAB3D code in solving flow problems associated with complex geometry.

Force user's manual: A portable, parallel FORTRAN

NASA Technical Reports Server (NTRS)

Jordan, Harry F.; Benten, Muhammad S.; Arenstorf, Norbert S.; Ramanan, Aruna V.

1990-01-01

The use of Force, a parallel, portable FORTRAN on shared memory parallel computers is described. Force simplifies writing code for parallel computers and, once the parallel code is written, it is easily ported to computers on which Force is installed. Although Force is nearly the same for all computers, specific details are included for the Cray-2, Cray-YMP, Convex 220, Flex/32, Encore, Sequent, Alliant computers on which it is installed.

From average to local structure: a Rietveld and an atomic pair distribution function (PDF) study of selenium clusters in zeolite-NdY.

PubMed

Abeykoon, A M Milinda; Donner, Wolfgang; Brunelli, Michela; Castro-Colin, Miguel; Jacobson, Allan J; Moss, Simon C

2009-09-23

The structure of Se particles in the approximately 13 A diameter alpha-cages of zeolite NdY has been determined by Rietveld refinement and pair distribution function (PDF) analysis of X-ray data. With the diffuse scattering subtracted an average structure comprised of an undistorted framework containing nanoclusters of 20 Se atoms is observed. The intracluster correlations and the cluster-framework correlations which give rise to diffuse scattering were modeled by using PDF analysis.

Automated Simplification of Full Chemical Mechanisms

NASA Technical Reports Server (NTRS)

Norris, A. T.

1997-01-01

A code has been developed to automatically simplify full chemical mechanisms. The method employed is based on the Intrinsic Low Dimensional Manifold (ILDM) method of Maas and Pope. The ILDM method is a dynamical systems approach to the simplification of large chemical kinetic mechanisms. By identifying low-dimensional attracting manifolds, the method allows complex full mechanisms to be parameterized by just a few variables; in effect, generating reduced chemical mechanisms by an automatic procedure. These resulting mechanisms however, still retain all the species used in the full mechanism. Full and skeletal mechanisms for various fuels are simplified to a two dimensional manifold, and the resulting mechanisms are found to compare well with the full mechanisms, and show significant improvement over global one step mechanisms, such as those by Westbrook and Dryer. In addition, by using an ILDM reaction mechanism in a CID code, a considerable improvement in turn-around time can be achieved.

Vectors a Fortran 90 module for 3-dimensional vector and dyadic arithmetic

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

Brock, B.C.

1998-02-01

A major advance contained in the new Fortran 90 language standard is the ability to define new data types and the operators associated with them. Writing computer code to implement computations with real and complex three-dimensional vectors and dyadics is greatly simplified if the equations can be implemented directly, without the need to code the vector arithmetic explicitly. The Fortran 90 module described here defines new data types for real and complex 3-dimensional vectors and dyadics, along with the common operations needed to work with these objects. Routines to allow convenient initialization and output of the new types are alsomore » included. In keeping with the philosophy of data abstraction, the details of the implementation of the data types are maintained private, and the functions and operators are made generic to simplify the combining of real, complex, single- and double-precision vectors and dyadics.« less

A practical nonlocal model for heat transport in magnetized laser plasmas

NASA Astrophysics Data System (ADS)

Nicolaï, Ph. D.; Feugeas, J.-L. A.; Schurtz, G. P.

2006-03-01

A model of nonlocal transport for multidimensional radiation magnetohydrodynamics codes is presented. In laser produced plasmas, it is now believed that the heat transport can be strongly modified by the nonlocal nature of the electron conduction. Other mechanisms, such as self-generated magnetic fields, may also affect the heat transport. The model described in this work, based on simplified Fokker-Planck equations aims at extending the model of G. Schurtz, Ph. Nicolaï, and M. Busquet [Phys. Plasmas 7, 4238 (2000)] to magnetized plasmas. A complete system of nonlocal equations is derived from kinetic equations with self-consistent electric and magnetic fields. These equations are analyzed and simplified in order to be implemented into large laser fusion codes and coupled to other relevant physics. The model is applied to two laser configurations that demonstrate the main features of the model and point out the nonlocal Righi-Leduc effect in a multidimensional case.

Modification and Validation of Conceptual Design Aerodynamic Prediction Method HASC95 With VTXCHN

NASA Technical Reports Server (NTRS)

Albright, Alan E.; Dixon, Charles J.; Hegedus, Martin C.

1996-01-01

A conceptual/preliminary design level subsonic aerodynamic prediction code HASC (High Angle of Attack Stability and Control) has been improved in several areas, validated, and documented. The improved code includes improved methodologies for increased accuracy and robustness, and simplified input/output files. An engineering method called VTXCHN (Vortex Chine) for prediciting nose vortex shedding from circular and non-circular forebodies with sharp chine edges has been improved and integrated into the HASC code. This report contains a summary of modifications, description of the code, user's guide, and validation of HASC. Appendices include discussion of a new HASC utility code, listings of sample input and output files, and a discussion of the application of HASC to buffet analysis.

A simplified and powerful image processing methods to separate Thai jasmine rice and sticky rice varieties

NASA Astrophysics Data System (ADS)

Khondok, Piyoros; Sakulkalavek, Aparporn; Suwansukho, Kajpanya

2018-03-01

A simplified and powerful image processing procedures to separate the paddy of KHAW DOK MALI 105 or Thai jasmine rice and the paddy of sticky rice RD6 varieties were proposed. The procedures consist of image thresholding, image chain coding and curve fitting using polynomial function. From the fitting, three parameters of each variety, perimeters, area, and eccentricity, were calculated. Finally, the overall parameters were determined by using principal component analysis. The result shown that these procedures can be significantly separate both varieties.

Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K.

PubMed

Hess, Nancy J; Schenter, Gregory K; Hartman, Michael R; Daemen, Luc L; Proffen, Thomas; Kathmann, Shawn M; Mundy, Christopher J; Hartl, Monika; Heldebrant, David J; Stowe, Ashley C; Autrey, Tom

2009-05-14

The structural behavior of (11)B-, (2)H-enriched ammonia borane, ND(3)(11)BD(3), over the temperature range from 15 to 340 K was investigated using a combination of neutron powder diffraction and ab initio molecular dynamics simulations. In the low temperature orthorhombic phase, the progressive displacement of the borane group under the amine group was observed leading to the alignment of the B-N bond near parallel to the c-axis. The orthorhombic to tetragonal structural phase transition at 225 K is marked by dramatic change in the dynamics of both the amine and borane group. The resulting hydrogen disorder is problematic to extract from the metrics provided by Rietveld refinement but is readily apparent in molecular dynamics simulation and in difference Fourier transform maps. At the phase transition, Rietveld refinement does indicate a disruption of one of two dihydrogen bonds that link adjacent ammonia borane molecules. Metrics determined by Rietveld refinement are in excellent agreement with those determined from molecular simulation. This study highlights the valuable insights added by coupled experimental and computational studies.

Study the oxidation kinetics of uranium using XRD and Rietveld method

NASA Astrophysics Data System (ADS)

Zhang, Yanzhi; Guan, Weijun; Wang, Qinguo; Wang, Xiaolin; Lai, Xinchun; Shuai, Maobing

2010-03-01

The surface oxidation of uranium metal has been studied by X-ray diffraction (XRD) and Rietveld method in the range of 50~300°C in air. The oxidation processes are analyzed by XRD to determine the extent of surface oxidation and the oxide structure. The dynamics expression for the formation of UO2 was derived. At the beginning, the dynamic expression was nonlinear, but switched to linear subsequently for uranium in air and humid oxygen. That is, the growth kinetics of UO2 can be divided into two stages: nonlinear portion and linear portion. Using the kinetic data of linear portion, the activation energy of reaction between uranium and air was calculated about 46.0 kJ/mol. However the content of oxide as a function of time was linear in humid helium ambience. Contrast the dynamics results, it prove that the absence of oxygen would accelerate the corrosion rate of uranium in the humid gas. We can find that the XRD and Rietveld method are a useful convenient method to estimate the kinetics and thermodynamics of solid-gas reaction.

Low-Density Parity-Check Code Design Techniques to Simplify Encoding

NASA Astrophysics Data System (ADS)

Perez, J. M.; Andrews, K.

2007-11-01

This work describes a method for encoding low-density parity-check (LDPC) codes based on the accumulate-repeat-4-jagged-accumulate (AR4JA) scheme, using the low-density parity-check matrix H instead of the dense generator matrix G. The use of the H matrix to encode allows a significant reduction in memory consumption and provides the encoder design a great flexibility. Also described are new hardware-efficient codes, based on the same kind of protographs, which require less memory storage and area, allowing at the same time a reduction in the encoding delay.

Solar Proton Transport within an ICRU Sphere Surrounded by a Complex Shield: Combinatorial Geometry

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

The 3DHZETRN code, with improved neutron and light ion (Z (is) less than 2) transport procedures, was recently developed and compared to Monte Carlo (MC) simulations using simplified spherical geometries. It was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in general combinatorial geometry. A more complex shielding structure with internal parts surrounding a tissue sphere is considered and compared against MC simulations. It is shown that even in the more complex geometry, 3DHZETRN agrees well with the MC codes and maintains a high degree of computational efficiency.

CodeSlinger: a case study in domain-driven interactive tool design for biomedical coding scheme exploration and use.

PubMed

Flowers, Natalie L

2010-01-01

CodeSlinger is a desktop application that was developed to aid medical professionals in the intertranslation, exploration, and use of biomedical coding schemes. The application was designed to provide a highly intuitive, easy-to-use interface that simplifies a complex business problem: a set of time-consuming, laborious tasks that were regularly performed by a group of medical professionals involving manually searching coding books, searching the Internet, and checking documentation references. A workplace observation session with a target user revealed the details of the current process and a clear understanding of the business goals of the target user group. These goals drove the design of the application's interface, which centers on searches for medical conditions and displays the codes found in the application's database that represent those conditions. The interface also allows the exploration of complex conceptual relationships across multiple coding schemes.

IGA: A Simplified Introduction and Implementation Details for Finite Element Users

NASA Astrophysics Data System (ADS)

Agrawal, Vishal; Gautam, Sachin S.

2018-05-01

Isogeometric analysis (IGA) is a recently introduced technique that employs the Computer Aided Design (CAD) concept of Non-uniform Rational B-splines (NURBS) tool to bridge the substantial bottleneck between the CAD and finite element analysis (FEA) fields. The simplified transition of exact CAD models into the analysis alleviates the issues originating from geometrical discontinuities and thus, significantly reduces the design-to-analysis time in comparison to traditional FEA technique. Since its origination, the research in the field of IGA is accelerating and has been applied to various problems. However, the employment of CAD tools in the area of FEA invokes the need of adapting the existing implementation procedure for the framework of IGA. Also, the usage of IGA requires the in-depth knowledge of both the CAD and FEA fields. This can be overwhelming for a beginner in IGA. Hence, in this paper, a simplified introduction and implementation details for the incorporation of NURBS based IGA technique within the existing FEA code is presented. It is shown that with little modifications, the available standard code structure of FEA can be adapted for IGA. For the clear and concise explanation of these modifications, step-by-step implementation of a benchmark plate with a circular hole under the action of in-plane tension is included.

A Simplified Baseband Prefilter Model with Adaptive Kalman Filter for Ultra-Tight COMPASS/INS Integration

PubMed Central

Luo, Yong; Wu, Wenqi; Babu, Ravindra; Tang, Kanghua; Luo, Bing

2012-01-01

COMPASS is an indigenously developed Chinese global navigation satellite system and will share many features in common with GPS (Global Positioning System). Since the ultra-tight GPS/INS (Inertial Navigation System) integration shows its advantage over independent GPS receivers in many scenarios, the federated ultra-tight COMPASS/INS integration has been investigated in this paper, particularly, by proposing a simplified prefilter model. Compared with a traditional prefilter model, the state space of this simplified system contains only carrier phase, carrier frequency and carrier frequency rate tracking errors. A two-quadrant arctangent discriminator output is used as a measurement. Since the code tracking error related parameters were excluded from the state space of traditional prefilter models, the code/carrier divergence would destroy the carrier tracking process, and therefore an adaptive Kalman filter algorithm tuning process noise covariance matrix based on state correction sequence was incorporated to compensate for the divergence. The federated ultra-tight COMPASS/INS integration was implemented with a hardware COMPASS intermediate frequency (IF), and INS's accelerometers and gyroscopes signal sampling system. Field and simulation test results showed almost similar tracking and navigation performances for both the traditional prefilter model and the proposed system; however, the latter largely decreased the computational load. PMID:23012564

Computer program optimizes design of nuclear radiation shields

NASA Technical Reports Server (NTRS)

Lahti, G. P.

1971-01-01

Computer program, OPEX 2, determines minimum weight, volume, or cost for shields. Program incorporates improved coding, simplified data input, spherical geometry, and an expanded output. Method is capable of altering dose-thickness relationship when a shield layer has been removed.

Seismic site coefficients and acceleration design response spectra based on conditions in South Carolina : final report.

DOT National Transportation Integrated Search

2014-11-15

The simplified procedure in design codes for determining earthquake response spectra involves : estimating site coefficients to adjust available rock accelerations to site accelerations. Several : investigators have noted concerns with the site coeff...

Comprehensive Report For Proposed Elevated Temperature Elastic Perfectly Plastic (EPP) Code Cases Representative Example Problems

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

Hollinger, Greg L.

Background: The current rules in the nuclear section of the ASME Boiler and Pressure Vessel (B&PV) Code , Section III, Subsection NH for the evaluation of strain limits and creep-fatigue damage using simplified methods based on elastic analysis have been deemed inappropriate for Alloy 617 at temperatures above 1200F (650C)1. To address this issue, proposed code rules have been developed which are based on the use of elastic-perfectly plastic (E-PP) analysis methods and which are expected to be applicable to very high temperatures. The proposed rules for strain limits and creep-fatigue evaluation were initially documented in the technical literature 2,more » 3, and have been recently revised to incorporate comments and simplify their application. The revised code cases have been developed. Task Objectives: The goal of the Sample Problem task is to exercise these code cases through example problems to demonstrate their feasibility and, also, to identify potential corrections and improvements should problems be encountered. This will provide input to the development of technical background documents for consideration by the applicable B&PV committees considering these code cases for approval. This task has been performed by Hollinger and Pease of Becht Engineering Co., Inc., Nuclear Services Division and a report detailing the results of the E-PP analyses conducted on example problems per the procedures of the E-PP strain limits and creep-fatigue draft code cases is enclosed as Enclosure 1. Conclusions: The feasibility of the application of the E-PP code cases has been demonstrated through example problems that consist of realistic geometry (a nozzle attached to a semi-hemispheric shell with a circumferential weld) and load (pressure; pipe reaction load applied at the end of the nozzle, including axial and shear forces, bending and torsional moments; through-wall transient temperature gradient) and design and operating conditions (Levels A, B and C).« less

A simplified model of the source channel of the Leksell GammaKnife tested with PENELOPE.

PubMed

Al-Dweri, Feras M O; Lallena, Antonio M; Vilches, Manuel

2004-06-21

Monte Carlo simulations using the code PENELOPE have been performed to test a simplified model of the source channel geometry of the Leksell GammaKnife. The characteristics of the radiation passing through the treatment helmets are analysed in detail. We have found that only primary particles emitted from the source with polar angles smaller than 3 degrees with respect to the beam axis are relevant for the dosimetry of the Gamma Knife. The photon trajectories reaching the output helmet collimators at (x, v, z = 236 mm) show strong correlations between rho = (x2 + y2)(1/2) and their polar angle theta, on one side, and between tan(-1)(y/x) and their azimuthal angle phi, on the other. This enables us to propose a simplified model which treats the full source channel as a mathematical collimator. This simplified model produces doses in good agreement with those found for the full geometry. In the region of maximal dose, the relative differences between both calculations are within 3%, for the 18 and 14 mm helmets, and 10%, for the 8 and 4 mm ones. Besides, the simplified model permits a strong reduction (larger than a factor 15) in the computational time.

CASTEAUR: a simple tool to assess the transfer of radionuclides in waterways.

PubMed

Beaugelin-Seiller, K; Boyer, P; Garnier-Laplace, J; Adam, C

2002-10-01

The CASTEAUR project proposes a simplified tool to assess the transfer of radionuclides between and in the main biotic and abiotic components of the freshwater ecosystem. Applied to phenomenological modeling, various hypotheses simplify the transfer equations, which, when programmed under Excel, can be readily dispatched and used. CASTEAUR can be used as an assessment tool for impact studies of accidental release as well as "routine" release. This code is currently being tested on the Rhone River, downstream from a nuclear reprocessing plant. The first results are reported to illustrate the possibilities offered by CASTEAUR.

On decoding of multi-level MPSK modulation codes

NASA Technical Reports Server (NTRS)

Lin, Shu; Gupta, Alok Kumar

1990-01-01

The decoding problem of multi-level block modulation codes is investigated. The hardware design of soft-decision Viterbi decoder for some short length 8-PSK block modulation codes is presented. An effective way to reduce the hardware complexity of the decoder by reducing the branch metric and path metric, using a non-uniform floating-point to integer mapping scheme, is proposed and discussed. The simulation results of the design are presented. The multi-stage decoding (MSD) of multi-level modulation codes is also investigated. The cases of soft-decision and hard-decision MSD are considered and their performance are evaluated for several codes of different lengths and different minimum squared Euclidean distances. It is shown that the soft-decision MSD reduces the decoding complexity drastically and it is suboptimum. The hard-decision MSD further simplifies the decoding while still maintaining a reasonable coding gain over the uncoded system, if the component codes are chosen properly. Finally, some basic 3-level 8-PSK modulation codes using BCH codes as component codes are constructed and their coding gains are found for hard decision multistage decoding.

Solar proton exposure of an ICRU sphere within a complex structure Part I: Combinatorial geometry.

PubMed

Wilson, John W; Slaba, Tony C; Badavi, Francis F; Reddell, Brandon D; Bahadori, Amir A

2016-06-01

The 3DHZETRN code, with improved neutron and light ion (Z≤2) transport procedures, was recently developed and compared to Monte Carlo (MC) simulations using simplified spherical geometries. It was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in general combinatorial geometry. A more complex shielding structure with internal parts surrounding a tissue sphere is considered and compared against MC simulations. It is shown that even in the more complex geometry, 3DHZETRN agrees well with the MC codes and maintains a high degree of computational efficiency. Published by Elsevier Ltd.

Smooth Upgrade of Existing Passive Optical Networks With Spectral-Shaping Line-Coding Service Overlay

NASA Astrophysics Data System (ADS)

Hsueh, Yu-Li; Rogge, Matthew S.; Shaw, Wei-Tao; Kim, Jaedon; Yamamoto, Shu; Kazovsky, Leonid G.

2005-09-01

A simple and cost-effective upgrade of existing passive optical networks (PONs) is proposed, which realizes service overlay by novel spectral-shaping line codes. A hierarchical coding procedure allows processing simplicity and achieves desired long-term spectral properties. Different code rates are supported, and the spectral shape can be properly tailored to adapt to different systems. The computation can be simplified by quantization of trigonometric functions. DC balance is achieved by passing the dc residual between processing windows. The proposed line codes tend to introduce bit transitions to avoid long consecutive identical bits and facilitate receiver clock recovery. Experiments demonstrate and compare several different optimized line codes. For a specific tolerable interference level, the optimal line code can easily be determined, which maximizes the data throughput. The service overlay using the line-coding technique leaves existing services and field-deployed fibers untouched but fully functional, providing a very flexible and economic way to upgrade existing PONs.

X-Antenna: A graphical interface for antenna analysis codes

NASA Technical Reports Server (NTRS)

Goldstein, B. L.; Newman, E. H.; Shamansky, H. T.

1995-01-01

This report serves as the user's manual for the X-Antenna code. X-Antenna is intended to simplify the analysis of antennas by giving the user graphical interfaces in which to enter all relevant antenna and analysis code data. Essentially, X-Antenna creates a Motif interface to the user's antenna analysis codes. A command-file allows new antennas and codes to be added to the application. The menu system and graphical interface screens are created dynamically to conform to the data in the command-file. Antenna data can be saved and retrieved from disk. X-Antenna checks all antenna and code values to ensure they are of the correct type, writes an output file, and runs the appropriate antenna analysis code. Volumetric pattern data may be viewed in 3D space with an external viewer run directly from the application. Currently, X-Antenna includes analysis codes for thin wire antennas (dipoles, loops, and helices), rectangular microstrip antennas, and thin slot antennas.

NP-hardness of decoding quantum error-correction codes

NASA Astrophysics Data System (ADS)

Hsieh, Min-Hsiu; Le Gall, François

2011-05-01

Although the theory of quantum error correction is intimately related to classical coding theory and, in particular, one can construct quantum error-correction codes (QECCs) from classical codes with the dual-containing property, this does not necessarily imply that the computational complexity of decoding QECCs is the same as their classical counterparts. Instead, decoding QECCs can be very much different from decoding classical codes due to the degeneracy property. Intuitively, one expects degeneracy would simplify the decoding since two different errors might not and need not be distinguished in order to correct them. However, we show that general quantum decoding problem is NP-hard regardless of the quantum codes being degenerate or nondegenerate. This finding implies that no considerably fast decoding algorithm exists for the general quantum decoding problems and suggests the existence of a quantum cryptosystem based on the hardness of decoding QECCs.

On the evolution of primitive genetic codes.

PubMed

Weberndorfer, Günter; Hofacker, Ivo L; Stadler, Peter F

2003-10-01

The primordial genetic code probably has been a drastically simplified ancestor of the canonical code that is used by contemporary cells. In order to understand how the present-day code came about we first need to explain how the language of the building plan can change without destroying the encoded information. In this work we introduce a minimal organism model that is based on biophysically reasonable descriptions of RNA and protein, namely secondary structure folding and knowledge based potentials. The evolution of a population of such organism under competition for a common resource is simulated explicitly at the level of individual replication events. Starting with very simple codes, and hence greatly reduced amino acid alphabets, we observe a diversification of the codes in most simulation runs. The driving force behind this effect is the possibility to produce fitter proteins when the repertoire of amino acids is enlarged.

FY17 Status Report on NEAMS Neutronics Activities

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

Lee, C. H.; Jung, Y. S.; Smith, M. A.

2017-09-30

Under the U.S. DOE NEAMS program, the high-fidelity neutronics code system has been developed to support the multiphysics modeling and simulation capability named SHARP. The neutronics code system includes the high-fidelity neutronics code PROTEUS, the cross section library and preprocessing tools, the multigroup cross section generation code MC2-3, the in-house meshing generation tool, the perturbation and sensitivity analysis code PERSENT, and post-processing tools. The main objectives of the NEAMS neutronics activities in FY17 are to continue development of an advanced nodal solver in PROTEUS for use in nuclear reactor design and analysis projects, implement a simplified sub-channel based thermal-hydraulic (T/H)more » capability into PROTEUS to efficiently compute the thermal feedback, improve the performance of PROTEUS-MOCEX using numerical acceleration and code optimization, improve the cross section generation tools including MC2-3, and continue to perform verification and validation tests for PROTEUS.« less

Design of Linear Accelerator (LINAC) tanks for proton therapy via Particle Swarm Optimization (PSO) and Genetic Algorithm (GA) approaches

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

Castellano, T.; De Palma, L.; Laneve, D.

2015-07-01

A homemade computer code for designing a Side- Coupled Linear Accelerator (SCL) is written. It integrates a simplified model of SCL tanks with the Particle Swarm Optimization (PSO) algorithm. The computer code main aim is to obtain useful guidelines for the design of Linear Accelerator (LINAC) resonant cavities. The design procedure, assisted via the aforesaid approach seems very promising, allowing future improvements towards the optimization of actual accelerating geometries. (authors)

Tin-Platinum catalysts interactions on titania and silica

NASA Astrophysics Data System (ADS)

Nava, N.; Del Angel, P.; Salmones, J.; Baggio-Saitovitch, E.; Santiago, P.

2007-09-01

Pt-Sn was supported on titania and silica, and the resulting interactions between the components in prepared samples and the resulting interactions between the components before and after treatment with hydrogen were characterized by Mössbauer spectroscopy, X-ray diffraction, Rietveld refinement, high-resolution transmission electron microscopy (HRTEM) and catalytic tests data. Results show the presence of Pt and SnO 2 after calcinations, and Pt 3Sn, PtSn and PtSn 3 after reduction. Rietveld analysis shows that some Ti 4+ are replaced by Sn 4+ atoms in the titania structure. Finally, HRTEM and the practically absence of activity observed confirms that metallic platinum is encapsulated.

Rietveld-refinement and optical study of the Fe doped ZnO thin film by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kumar, Arun; Dhiman, Pooja; Singh, M.

2017-05-01

Fe Doped ZnO Dilute Magnetic Semiconductor thin film prepared by RF magnetron sputtering on glass substrate and Influence of 3% Fe-doping on structural and Optical properties has been studied. The Rietveld-refinement analysis shows that Fe doping has a significant effect on crystalline structure, grain size and strain in the thin film. Two dimensional and three-dimensional atom probe tomography of the thin film shows that Fe ions are randomly distributed which is supported by Xray Diffraction (XRD). Fe-doping is found to effectively modify the band gap energy up to 3.5 eV.

Micro-structural study and Rietveld analysis of fast reactor fuels: U-Mo fuels

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Choudhuri, G.; Banerjee, J.; Agarwal, Renu; Khan, K. B.; Kumar, Arun

2015-12-01

U-Mo alloys are the candidate fuels for both research reactors and fast breeder reactors. In-reactor performance of the fuel depends on the microstructural stability and thermal properties of the fuel. To improve the fuel performance, alloying elements viz. Zr, Mo, Nb, Ti and fissium are added in the fuel. The first reactor fuels are normally prepared by injection casting. The objective of this work is to compare microstructure, phase-fields and hardness of as-cast four different U-Mo alloy (2, 5, 10 and 33 at.% Mo) fuels with the equilibrium microstructure of the alloys. Scanning electron microscope with energy dispersive spectrometer and optical microscope have been used to characterize the morphology of the as-cast and annealed alloys. The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. A comparison of metallographic and Rietveld analysis of as-cast (dendritic microstructure) and annealed U-33 at.% Mo alloy, corresponding to intermetallic compound, has been reported here for the first time. This study will provide in depth understanding of microstructural and phase evolution of U-Mo alloys as fast reactor fuel.

Crystal growth and furnace analysis

NASA Technical Reports Server (NTRS)

Dakhoul, Youssef M.

1986-01-01

A thermal analysis of Hg/Cd/Te solidification in a Bridgman cell is made using Continuum's VAST code. The energy equation is solved in an axisymmetric, quasi-steady domain for both the molten and solid alloy regions. Alloy composition is calculated by a simplified one-dimensional model to estimate its effect on melt thermal conductivity and, consequently, on the temperature field within the cell. Solidification is assumed to occur at a fixed temperature of 979 K. Simplified boundary conditions are included to model both the radiant and conductive heat exchange between the furnace walls and the alloy. Calculations are performed to show how the steady-state isotherms are affected by: the hot and cold furnace temperatures, boundary condition parameters, and the growth rate which affects the calculated alloy's composition. The Advanced Automatic Directional Solidification Furnace (AADSF), developed by NASA, is also thermally analyzed using the CINDA code. The objective is to determine the performance and the overall power requirements for different furnace designs.

2-3D nonlocal transport model in magnetized laser plasmas.

NASA Astrophysics Data System (ADS)

Nicolaï, Philippe; Feugeas, Jean-Luc; Schurtz, Guy

2004-11-01

We present a model of nonlocal transport for multidimensional radiation magneto-hydrodynamics codes. This model, based on simplified Fokker-Planck equations, aims at extending the formulae of G Schurtz,Ph.Nicolaï and M. Busquet [Phys. Plasmas,7,4238 (2000)] to magnetized plasmas.The improvements concern various points as the electric field effects on nonlocal transport or conversely the kinetic effects on E field. However the main purpose of this work is to generalize the previous model by including magnetic field effects. A complete system of nonlocal equations is derived from kinetic equations with self-consistent E and B fields. These equations are analyzed and simplified in order to be implemented into large laser fusion codes and coupled to other relevent physics. Finally, our model allows to obtain the deformation of the electron distribution function due to nonlocal effects. This deformation leads to a non-maxwellian function which could be used to compute the influence on other physical processes.

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

Pązik, Robert, E-mail: R.Pazik@int.pan.wroc.pl; Zawisza, Katarzyna; Wroclaw University, Faculty of Chemistry, F. Joliot-Curie 14, 50-338 Wroclaw

Graphical abstract: Display Omitted Highlights: ► Convenient citric route was used for preparation of the Ca{sub 9}Al(PO{sub 4}){sub 7}:Eu{sup 3+} powders. ► We found that the thermal dependency of the Eu{sup 3+} emission shows two different temperature ranges. ► 80% of Eu{sup 3+} luminescence intensity is kept at 430 K. ► The possible quenching pathways were constructed using simplified one coordinate energy diagram. -- Abstract: The citric route was employed for synthesis of the pure phase Ca{sub 9}Al(PO{sub 4}){sub 7}:Eu{sup 3+} (CAlP:Eu{sup 3+}) powders as an attractive alternative to the solid state reaction (no need of multistep and long thermalmore » treatment). Structural properties of the final product were studied by means of X-ray diffraction as well as Rietveld refinement was conducted in order to calculate the cell parameters. The thermal behavior of the emission was studied using excitation line well matched with the {sup 7}F{sub 0} → {sup 5}D{sub 4} absorption band covering broad range of temperature. Activation energy was estimated to be equal to 10,550 cm{sup −1}. The thermal behavior of the Eu{sup 3+} luminescence in CAlP crystal lattice shown that the almost 80% of intensity is kept up to 430 K.« less

Simplified Interface to Complex Memory Hierarchies 1.x

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

Lang, Michael; Ionkov, Latchesar; Williams, Sean

2017-02-21

Memory systems are expected to get evermore complicated in the coming years, and it isn't clear exactly what form that complexity will take. On the software side, a simple, flexible way of identifying and working with memory pools is needed. Additionally, most developers seek code portability and do not want to learn the intricacies of complex memory. Hence, we believe that a library for interacting with complex memory systems should expose two kinds of abstraction: First, a low-level, mechanism-based interface designed for the runtime or advanced user that wants complete control, with its focus on simplified representation but with allmore » decisions left to the caller. Second, a high-level, policy-based interface designed for ease of use for the application developer, in which we aim for best-practice decisions based on application intent. We have developed such a library, called SICM: Simplified Interface to Complex Memory.« less

Variation in Place of Publication: A Model for Cataloging Simplification.

ERIC Educational Resources Information Center

Marker, Rhonda J.; Reagor, Melinda Ann

1994-01-01

Discussion of the revision of cataloging rules to simplify catalog records focuses on the information relating to publication, formerly called the imprint. Highlights include a review of cataloging codes; Library of Congress rules interpretations; the impact on bibliographic utilities; implications for technical and public services; and publishing…

A Passage in Time

ERIC Educational Resources Information Center

Language Teaching, 2013

2013-01-01

In 1975 (Vol. 8.4, 201-218), S. P. Corder, during the course of his state-of-the-art review "Error analysis, interlanguage and second language acquisition," focused on the recent literature on simplified linguistic systems and suggested that research had shown that interlanguage systems often resemble other simple codes such as pidgins…

Computational Fluids Domain Reduction to a Simplified Fluid Network

DTIC Science & Technology

2012-04-19

readily available read/ write software library. Code components from the open source projects OpenFoam and Paraview were explored for their adaptability...to the project. Both Paraview and OpenFoam read polyhedral mesh. OpenFoam does not read results data. Paraview actually allows for user “filters

Rietveld refinement and FTIR analysis of bulk ceramic Co3-xMnxO4 compositions

NASA Astrophysics Data System (ADS)

Meena, P. L.; Kumar, Ravi; Sreenivas, K.

2013-02-01

Co3-xMnxO4 (x = 0.0, 0.6, 1.2) prepared by solid state reaction method and characterized by powder X-ray diffraction (XRD) and Fourier transform infrared (FTIR). Lattice parameters (a), oxygen parameter (u), and ionic radii of cations have been determined through Rietveld analysis. Both a and u parameters are related to expansion of octahedral site as Mn content in Co3O4. Analysis of XRD data show that Mn (x ≤ 1.2) is accommodated at the octahedral site, while retaining the cubic spinel structure. FTIR results also confirm the same and signify strong interactions due to overlapping of Co and Mn octahedra.

Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

PubMed Central

Fancher, Chris M.; Han, Zhen; Levin, Igor; Page, Katharine; Reich, Brian J.; Smith, Ralph C.; Wilson, Alyson G.; Jones, Jacob L.

2016-01-01

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method. PMID:27550221

Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

NASA Technical Reports Server (NTRS)

Nguyen, H. L.; Ying, S.-J.

1990-01-01

Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

A simplified model of the source channel of the Leksell GammaKnife® tested with PENELOPE

NASA Astrophysics Data System (ADS)

Al-Dweri, Feras M. O.; Lallena, Antonio M.; Vilches, Manuel

2004-06-01

Monte Carlo simulations using the code PENELOPE have been performed to test a simplified model of the source channel geometry of the Leksell GammaKnife®. The characteristics of the radiation passing through the treatment helmets are analysed in detail. We have found that only primary particles emitted from the source with polar angles smaller than 3° with respect to the beam axis are relevant for the dosimetry of the Gamma Knife. The photon trajectories reaching the output helmet collimators at (x, y, z = 236 mm) show strong correlations between rgr = (x2 + y2)1/2 and their polar angle thgr, on one side, and between tan-1(y/x) and their azimuthal angle phgr, on the other. This enables us to propose a simplified model which treats the full source channel as a mathematical collimator. This simplified model produces doses in good agreement with those found for the full geometry. In the region of maximal dose, the relative differences between both calculations are within 3%, for the 18 and 14 mm helmets, and 10%, for the 8 and 4 mm ones. Besides, the simplified model permits a strong reduction (larger than a factor 15) in the computational time.

A Very Low Cost BCH Decoder for High Immunity of On-Chip Memories

NASA Astrophysics Data System (ADS)

Seo, Haejun; Han, Sehwan; Heo, Yoonseok; Cho, Taewon

BCH(Bose-Chaudhuri-Hoquenbhem) code, a type of block codes-cyclic codes, has very strong error-correcting ability which is vital for performing the error protection on the memory system. BCH code has many kinds of dual algorithms, PGZ(Pererson-Gorenstein-Zierler) algorithm out of them is advantageous in view of correcting the errors through the simple calculation in t value. However, this is problematic when this becomes 0 (divided by zero) in case ν ≠ t. In this paper, the circuit would be simplified by suggesting the multi-mode hardware architecture in preparation that v were 0~3. First, production cost would be less thanks to the smaller number of gates. Second, lessening power consumption could lengthen the recharging period. The very low cost and simple datapath make our design a good choice in small-footprint SoC(System on Chip) as ECC(Error Correction Code/Circuit) in memory system.

Frame Synchronization Without Attached Sync Markers

NASA Technical Reports Server (NTRS)

Hamkins, Jon

2011-01-01

We describe a method to synchronize codeword frames without making use of attached synchronization markers (ASMs). Instead, the synchronizer identifies the code structure present in the received symbols, by operating the decoder for a handful of iterations at each possible symbol offset and forming an appropriate metric. This method is computationally more complex and doesn't perform as well as frame synchronizers that utilize an ASM; nevertheless, the new synchronizer acquires frame synchronization in about two seconds when using a 600 kbps software decoder, and would take about 15 milliseconds on prototype hardware. It also eliminates the need for the ASMs, which is an attractive feature for short uplink codes whose coding gain would be diminished by the overheard of ASM bits. The lack of ASMs also would simplify clock distribution for the AR4JA low-density parity-check (LDPC) codes and adds a small amount to the coding gain as well (up to 0.2 dB).

Advanced Imaging Optics Utilizing Wavefront Coding.

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

Scrymgeour, David; Boye, Robert; Adelsberger, Kathleen

2015-06-01

Image processing offers a potential to simplify an optical system by shifting some of the imaging burden from lenses to the more cost effective electronics. Wavefront coding using a cubic phase plate combined with image processing can extend the system's depth of focus, reducing many of the focus-related aberrations as well as material related chromatic aberrations. However, the optimal design process and physical limitations of wavefront coding systems with respect to first-order optical parameters and noise are not well documented. We examined image quality of simulated and experimental wavefront coded images before and after reconstruction in the presence of noise.more » Challenges in the implementation of cubic phase in an optical system are discussed. In particular, we found that limitations must be placed on system noise, aperture, field of view and bandwidth to develop a robust wavefront coded system.« less

Addition of equilibrium air to an upwind Navier-Stokes code and other first steps toward a more generalized flow solver

NASA Technical Reports Server (NTRS)

Rosen, Bruce S.

1991-01-01

An upwind three-dimensional volume Navier-Stokes code is modified to facilitate modeling of complex geometries and flow fields represented by proposed National Aerospace Plane concepts. Code enhancements include an equilibrium air model, a generalized equilibrium gas model and several schemes to simplify treatment of complex geometric configurations. The code is also restructured for inclusion of an arbitrary number of independent and dependent variables. This latter capability is intended for eventual use to incorporate nonequilibrium/chemistry gas models, more sophisticated turbulence and transition models, or other physical phenomena which will require inclusion of additional variables and/or governing equations. Comparisons of computed results with experimental data and results obtained using other methods are presented for code validation purposes. Good correlation is obtained for all of the test cases considered, indicating the success of the current effort.

A general panel sizing computer code and its application to composite structural panels

NASA Technical Reports Server (NTRS)

Anderson, M. S.; Stroud, W. J.

1978-01-01

A computer code for obtaining the dimensions of optimum (least mass) stiffened composite structural panels is described. The procedure, which is based on nonlinear mathematical programming and a rigorous buckling analysis, is applicable to general cross sections under general loading conditions causing buckling. A simplified method of accounting for bow-type imperfections is also included. Design studies in the form of structural efficiency charts for axial compression loading are made with the code for blade and hat stiffened panels. The effects on panel mass of imperfections, material strength limitations, and panel stiffness requirements are also examined. Comparisons with previously published experimental data show that accounting for imperfections improves correlation between theory and experiment.

XPI: The Xanadu Parameter Interface

NASA Technical Reports Server (NTRS)

White, N.; Barrett, P.; Oneel, B.; Jacobs, P.

1992-01-01

XPI is a table driven parameter interface which greatly simplifies both command driven programs such as BROWSE and XIMAGE as well as stand alone single-task programs. It moves all of the syntax and semantic parsing of commands and parameters out of the users code into common code and externally defined tables. This allows the programmer to concentrate on writing the code unique to the application rather than reinventing the user interface and for external graphical interfaces to interface with no changes to the command driven program. XPI also includes a compatibility library which allows programs written using the IRAF host interface (Mandel and Roll) to use XPI in place of the IRAF host interface.

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 piezoceramics

NASA Astrophysics Data System (ADS)

Upadhyay, Ashutosh; Singh, Akhilesh Kumar

2015-04-01

Results of the room temperature structural studies on (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.

Structural studies of TiC{sub 1−x}O{sub x} solid solution by Rietveld refinement and first-principles calculations

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

Jiang, Bo, E-mail: youqin5912@yahoo.com.cn; Hou, Na; Huang, Shanyan

2013-08-15

The lattice parameters, structural stability and electronic structure of titanium oxycarbides (TiC{sub 1−x}O{sub x}, 0≤x≤1) solid solution were investigated by Rietveld refinement and first-principles calculations. Series of TiC{sub 1−x}O{sub x} were precisely synthesized by sintering process under the vacuum. Rietveld refinement results of XRD patterns show the properties of continuous solid solution in TiC{sub 1−x}O{sub x} over the whole composition range. The lattice parameters vary from 0.4324 nm to 0.4194 nm decreasing with increasing oxygen concentration. Results of first-principles calculations reveal that the disorder C/O structure is stable than the order C/O structure. Further investigations of the vacancy in Ti{submore » 1−Va}(C{sub 1−x}O{sub x}){sub 1−Va} solid solution present that the structure of vacancy segregated in TiO-part is more stable than the disorder C/O structure, which can be ascribed to the Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy via the analysis of the electron density difference plots and PDOS. - Graphical abstract: XRD of series of titanium oxycarbides (TiC{sub 1−x}O{sub x}, 0≤x≤1) solid solution prepared by adjusting the proportion of TiO in the starting material. Highlights: • Titanium oxycarbides were obtained by sintering TiO and TiC under carefully controlled conditions. • Rietveld refinement results show continuous solid solution with FCC structure in TiC{sub 1−x}O{sub x}. • The disorder C/O structure is stable than the order C/O structure. • Introduction of vacancy segregated in TiO-part is more stable than disorder C/O structure. • Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy enhance structural stability.« less

The magnetic structure of Co(NCNH)₂ as determined by (spin-polarized) neutron diffraction

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

Jacobs, Philipp; Houben, Andreas; Senyshyn, Anatoliy

The magnetic structure of Co(NCNH)₂ has been studied by neutron diffraction data below 10 K using the SPODI and DNS instruments at FRM II, Munich. There is an intensity change in the (1 1 0) and (0 2 0) reflections around 4 K, to be attributed to the onset of a magnetic ordering of the Co²⁺ spins. Four different spin orientations have been evaluated on the basis of Rietveld refinements, comprising antiferromagnetic as well as ferromagnetic ordering along all three crystallographic axes. Both residual values and supplementary susceptibility measurements evidence that only a ferromagnetic ordering with all Co²⁺ spins parallelmore » to the c axis is a suitable description of the low-temperature magnetic ground state of Co(NCNH)₂. The deviation of the magnetic moment derived by the Rietveld refinement from the expectancy value may be explained either by an incomplete saturation of the moment at temperatures slightly below the Curie temperature or by a small Jahn–Teller distortion. - Graphical abstract: The magnetic ground state of Co(NCNH)₂ has been clarified by (spin-polarized) neutron diffraction data at low temperatures. Intensity changes below 4 K arise due to the onset of ferromagnetic ordering of the Co²⁺ spins parallel to the c axis, corroborated by various (magnetic) Rietveld refinements. Highlights: • Powderous Co(NCNH)₂ has been subjected to (spin-polarized) neutron diffraction. • Magnetic susceptibility data of Co(NCNH)₂ have been collected. • Below 4 K, the magnetic moments align ferromagnetically with all Co²⁺ spins parallel to the c axis. • The magnetic susceptibility data yield an effective magnetic moment of 4.68 and a Weiss constant of -13(2) K. • The ferromagnetic Rietveld refinement leads to a magnetic moment of 2.6 which is close to the expectancy value of 3.« less

Analysis and interpretation of diffraction data from complex, anisotropic materials

NASA Astrophysics Data System (ADS)

Tutuncu, Goknur

Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used and their advantages and disadvantages compared. It was observed that the single peak analysis fails at low peak intensities especially after domain switching while the Rietveld method does not account for lattice strain anisotropy although it overcomes the low intensity problem via whole pattern analysis. To better account for strain anisotropy the constant stress (Reuss) approximation was employed within the Rietveld method and new formulations to estimate lattice strain were proposed. Along the way, new approaches for handling highly anisotropic lattice strain data were also developed and applied. All of the ceramics studied exhibited significant changes in their crystallographic texture after loading indicating non-180° domain switching. For a full interpretation of domain switching the spherical harmonics method was employed in Rietveld. A procedure for simultaneous refinement of multiple data sets was established for a complete texture analysis. To further interpret diffraction data, a solid mechanics model based on the self-consistent approach was used in calculating lattice strain and texture evolution during the loading of a polycrystalline ferroelectric. The model estimates both the macroscopic average response of a specimen and its hkl-dependent lattice strains for different reflections. It also tracks the number of grains (or domains) contributing to each reflection and allows for domain switching. The agreement between the model and experimental data was found to be satisfactory.

Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}

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

Tmar Trabelsi, I., E-mail: ilhem_tmar@yahoo.fr; Madani, A.; Mercier, A.M.

2013-01-15

The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and inmore » comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channels where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.« less

An Accessible User Interface for Geoscience and Programming

NASA Astrophysics Data System (ADS)

Sevre, E. O.; Lee, S.

2012-12-01

The goal of this research is to develop an interface that will simplify user interaction with software for scientists. The motivating factor of the research is to develop tools that assist scientists with limited motor skills with the efficient generation and use of software tools. Reliance on computers and programming is increasing in the world of geology, and it is increasingly important for geologists and geophysicists to have the computational resources to use advanced software and edit programs for their research. I have developed a prototype of a program to help geophysicists write programs using a simple interface that requires only simple single-mouse-clicks to input code. It is my goal to minimize the amount of typing necessary to create simple programs and scripts to increase accessibility for people with disabilities limiting fine motor skills. This interface can be adapted for various programming and scripting languages. Using this interface will simplify development of code for C/C++, Java, and GMT, and can be expanded to support any other text based programming language. The interface is designed around the concept of maximizing the amount of code that can be written using a minimum number of clicks and typing. The screen is split into two sections: a list of click-commands is on the left hand side, and a text area is on the right hand side. When the user clicks on a command on the left hand side the applicable code is automatically inserted at the insertion point in the text area. Currently in the C/C++ interface, there are commands for common code segments that are often used, such as for loops, comments, print statements, and structured code creation. The primary goal is to provide an interface that will work across many devices for developing code. A simple prototype has been developed for the iPad. Due to the limited number of devices that an iOS application can be used with, the code has been re-written in Java to run on a wider range of devices. Currently, the software works in a prototype mode, and it is our goal to further development to create software that can benefit a wide range of people working in geosciences, which will make code development practical and accessible for a wider audience of scientists. By using an interface like this, it reduces potential for errors by reusing known working code.

CACTI: free, open-source software for the sequential coding of behavioral interactions.

PubMed

Glynn, Lisa H; Hallgren, Kevin A; Houck, Jon M; Moyers, Theresa B

2012-01-01

The sequential analysis of client and clinician speech in psychotherapy sessions can help to identify and characterize potential mechanisms of treatment and behavior change. Previous studies required coding systems that were time-consuming, expensive, and error-prone. Existing software can be expensive and inflexible, and furthermore, no single package allows for pre-parsing, sequential coding, and assignment of global ratings. We developed a free, open-source, and adaptable program to meet these needs: The CASAA Application for Coding Treatment Interactions (CACTI). Without transcripts, CACTI facilitates the real-time sequential coding of behavioral interactions using WAV-format audio files. Most elements of the interface are user-modifiable through a simple XML file, and can be further adapted using Java through the terms of the GNU Public License. Coding with this software yields interrater reliabilities comparable to previous methods, but at greatly reduced time and expense. CACTI is a flexible research tool that can simplify psychotherapy process research, and has the potential to contribute to the improvement of treatment content and delivery.

Optical information authentication using compressed double-random-phase-encoded images and quick-response codes.

PubMed

Wang, Xiaogang; Chen, Wen; Chen, Xudong

2015-03-09

In this paper, we develop a new optical information authentication system based on compressed double-random-phase-encoded images and quick-response (QR) codes, where the parameters of optical lightwave are used as keys for optical decryption and the QR code is a key for verification. An input image attached with QR code is first optically encoded in a simplified double random phase encoding (DRPE) scheme without using interferometric setup. From the single encoded intensity pattern recorded by a CCD camera, a compressed double-random-phase-encoded image, i.e., the sparse phase distribution used for optical decryption, is generated by using an iterative phase retrieval technique with QR code. We compare this technique to the other two methods proposed in literature, i.e., Fresnel domain information authentication based on the classical DRPE with holographic technique and information authentication based on DRPE and phase retrieval algorithm. Simulation results show that QR codes are effective on improving the security and data sparsity of optical information encryption and authentication system.

Coding efficiency of AVS 2.0 for CBAC and CABAC engines

NASA Astrophysics Data System (ADS)

Cui, Jing; Choi, Youngkyu; Chae, Soo-Ik

2015-12-01

In this paper we compare the coding efficiency of AVS 2.0[1] for engines of the Context-based Binary Arithmetic Coding (CBAC)[2] in the AVS 2.0 and the Context-Adaptive Binary Arithmetic Coder (CABAC)[3] in the HEVC[4]. For fair comparison, the CABAC is embedded in the reference code RD10.1 because the CBAC is in the HEVC in our previous work[5]. The rate estimation table is employed only for RDOQ in the RD code. To reduce the computation complexity of the video encoder, therefore we modified the RD code so that the rate estimation table is employed for all RDO decision. Furthermore, we also simplify the complexity of rate estimation table by reducing the bit depth of its fractional part to 2 from 8. The simulation result shows that the CABAC has the BD-rate loss of about 0.7% compared to the CBAC. It seems that the CBAC is a little more efficient than that the CABAC in the AVS 2.0.

Capabilities needed for the next generation of thermo-hydraulic codes for use in real time applications

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

Arndt, S.A.

1997-07-01

The real-time reactor simulation field is currently at a crossroads in terms of the capability to perform real-time analysis using the most sophisticated computer codes. Current generation safety analysis codes are being modified to replace simplified codes that were specifically designed to meet the competing requirement for real-time applications. The next generation of thermo-hydraulic codes will need to have included in their specifications the specific requirement for use in a real-time environment. Use of the codes in real-time applications imposes much stricter requirements on robustness, reliability and repeatability than do design and analysis applications. In addition, the need for codemore » use by a variety of users is a critical issue for real-time users, trainers and emergency planners who currently use real-time simulation, and PRA practitioners who will increasingly use real-time simulation for evaluating PRA success criteria in near real-time to validate PRA results for specific configurations and plant system unavailabilities.« less

Summary of papers on current and anticipated uses of thermal-hydraulic codes

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

Caruso, R.

1997-07-01

The author reviews a range of recent papers which discuss possible uses and future development needs for thermal/hydraulic codes in the nuclear industry. From this review, eight common recommendations are extracted. They are: improve the user interface so that more people can use the code, so that models are easier and less expensive to prepare and maintain, and so that the results are scrutable; design the code so that it can easily be coupled to other codes, such as core physics, containment, fission product behaviour during severe accidents; improve the numerical methods to make the code more robust and especiallymore » faster running, particularly for low pressure transients; ensure that future code development includes assessment of code uncertainties as integral part of code verification and validation; provide extensive user guidelines or structure the code so that the `user effect` is minimized; include the capability to model multiple fluids (gas and liquid phase); design the code in a modular fashion so that new models can be added easily; provide the ability to include detailed or simplified component models; build on work previously done with other codes (RETRAN, RELAP, TRAC, CATHARE) and other code validation efforts (CSAU, CSNI SET and IET matrices).« less

SSDA code to apply data assimilation in soil water flow modeling: Documentation and user manual

USDA-ARS?s Scientific Manuscript database

Soil water flow models are based on simplified assumptions about the mechanisms, processes, and parameters of water retention and flow. That causes errors in soil water flow model predictions. Data assimilation (DA) with the ensemble Kalman filter (EnKF) corrects modeling results based on measured s...

Using Program Theory-Driven Evaluation Science to Crack the Da Vinci Code

ERIC Educational Resources Information Center

Donaldson, Stewart I.

2005-01-01

Program theory-driven evaluation science uses substantive knowledge, as opposed to method proclivities, to guide program evaluations. It aspires to update, clarify, simplify, and make more accessible the evolving theory of evaluation practice commonly referred to as theory-driven or theory-based evaluation. The evaluator in this chapter provides a…

Periodontal disease detection in primary and mixed dentitions.

PubMed

Nobre, C M Guimarães; Fernandes-Costa, A N; de Melo Soares, M S; Pugliesi, D M Carvalho; de Vasconcelos Gurgel, B C

2016-10-01

This was to compare the periodontal status of children with primary and mixed dentition at the time of their first consultation. Children (200), aged 0-12 years (156 with mixed and 44 with primary dentition), were examined by assessing their simplified plaque index (PI) and simplified periodontal record (PSR). Statistical analysis (Chi-square test) was performed with appropriate software to find any significant associations between sex, type of dentition and PI with the PSR codes (0, 1, 2, 3 and 4). There was no statistically significant difference with regard to gender (p = 0.82). Generalised PI was associated more significantly with mixed dentition (p = 0.025 and higher PSR scores (p < 0.001). There was no significant relationship between sex and PSR codes (p = 0.82). Children presenting with a mixed dentition had worse PI values and PSR scores. It is important to perform periodontal examination in children to diagnose and prevent future periodontal disease and maintain their dentition as well as to identify any associated systemic conditions.

Shot-by-shot Spectrum Model for Rod-pinch, Pulsed Radiography Machines

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

Wood, William Monford

A simplified model of bremsstrahlung production is developed for determining the x-ray spectrum output of a rod-pinch radiography machine, on a shot-by-shot basis, using the measured voltage, V(t), and current, I(t). The motivation for this model is the need for an agile means of providing shot-by-shot spectrum prediction, from a laptop or desktop computer, for quantitative radiographic analysis. Simplifying assumptions are discussed, and the model is applied to the Cygnus rod-pinch machine. Output is compared to wedge transmission data for a series of radiographs from shots with identical target objects. Resulting model enables variation of parameters in real time, thusmore » allowing for rapid optimization of the model across many shots. “Goodness of fit” is compared with output from LSP Particle-In-Cell code, as well as the Monte Carlo Neutron Propagation with Xrays (“MCNPX”) model codes, and is shown to provide an excellent predictive representation of the spectral output of the Cygnus machine. In conclusion, improvements to the model, specifically for application to other geometries, are discussed.« less

Shot-by-shot Spectrum Model for Rod-pinch, Pulsed Radiography Machines

DOE PAGES

Wood, William Monford

2018-02-07

A simplified model of bremsstrahlung production is developed for determining the x-ray spectrum output of a rod-pinch radiography machine, on a shot-by-shot basis, using the measured voltage, V(t), and current, I(t). The motivation for this model is the need for an agile means of providing shot-by-shot spectrum prediction, from a laptop or desktop computer, for quantitative radiographic analysis. Simplifying assumptions are discussed, and the model is applied to the Cygnus rod-pinch machine. Output is compared to wedge transmission data for a series of radiographs from shots with identical target objects. Resulting model enables variation of parameters in real time, thusmore » allowing for rapid optimization of the model across many shots. “Goodness of fit” is compared with output from LSP Particle-In-Cell code, as well as the Monte Carlo Neutron Propagation with Xrays (“MCNPX”) model codes, and is shown to provide an excellent predictive representation of the spectral output of the Cygnus machine. In conclusion, improvements to the model, specifically for application to other geometries, are discussed.« less

Shot-by-shot spectrum model for rod-pinch, pulsed radiography machines

NASA Astrophysics Data System (ADS)

Wood, Wm M.

2018-02-01

A simplified model of bremsstrahlung production is developed for determining the x-ray spectrum output of a rod-pinch radiography machine, on a shot-by-shot basis, using the measured voltage, V(t), and current, I(t). The motivation for this model is the need for an agile means of providing shot-by-shot spectrum prediction, from a laptop or desktop computer, for quantitative radiographic analysis. Simplifying assumptions are discussed, and the model is applied to the Cygnus rod-pinch machine. Output is compared to wedge transmission data for a series of radiographs from shots with identical target objects. Resulting model enables variation of parameters in real time, thus allowing for rapid optimization of the model across many shots. "Goodness of fit" is compared with output from LSP Particle-In-Cell code, as well as the Monte Carlo Neutron Propagation with Xrays ("MCNPX") model codes, and is shown to provide an excellent predictive representation of the spectral output of the Cygnus machine. Improvements to the model, specifically for application to other geometries, are discussed.

Oak Ridge Spallation Neutron Source (ORSNS) target station design integration

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

McManamy, T.; Booth, R.; Cleaves, J.

1996-06-01

The conceptual design for a 1- to 3-MW short pulse spallation source with a liquid mercury target has been started recently. The design tools and methods being developed to define requirements, integrate the work, and provide early cost guidance will be presented with a summary of the current target station design status. The initial design point was selected with performance and cost estimate projections by a systems code. This code was developed recently using cost estimates from the Brookhaven Pulsed Spallation Neutron Source study and experience from the Advanced Neutron Source Project`s conceptual design. It will be updated and improvedmore » as the design develops. Performance was characterized by a simplified figure of merit based on a ratio of neutron production to costs. A work breakdown structure was developed, with simplified systems diagrams used to define interfaces and system responsibilities. A risk assessment method was used to identify potential problems, to identify required research and development (R&D), and to aid contingency development. Preliminary 3-D models of the target station are being used to develop remote maintenance concepts and to estimate costs.« less

Interface design of VSOP'94 computer code for safety analysis

NASA Astrophysics Data System (ADS)

Natsir, Khairina; Yazid, Putranto Ilham; Andiwijayakusuma, D.; Wahanani, Nursinta Adi

2014-09-01

Today, most software applications, also in the nuclear field, come with a graphical user interface. VSOP'94 (Very Superior Old Program), was designed to simplify the process of performing reactor simulation. VSOP is a integrated code system to simulate the life history of a nuclear reactor that is devoted in education and research. One advantage of VSOP program is its ability to calculate the neutron spectrum estimation, fuel cycle, 2-D diffusion, resonance integral, estimation of reactors fuel costs, and integrated thermal hydraulics. VSOP also can be used to comparative studies and simulation of reactor safety. However, existing VSOP is a conventional program, which was developed using Fortran 65 and have several problems in using it, for example, it is only operated on Dec Alpha mainframe platforms and provide text-based output, difficult to use, especially in data preparation and interpretation of results. We develop a GUI-VSOP, which is an interface program to facilitate the preparation of data, run the VSOP code and read the results in a more user friendly way and useable on the Personal 'Computer (PC). Modifications include the development of interfaces on preprocessing, processing and postprocessing. GUI-based interface for preprocessing aims to provide a convenience way in preparing data. Processing interface is intended to provide convenience in configuring input files and libraries and do compiling VSOP code. Postprocessing interface designed to visualized the VSOP output in table and graphic forms. GUI-VSOP expected to be useful to simplify and speed up the process and analysis of safety aspects.

Rietveld refinement and electrical properties of Ni-Zn spinel ferrites

NASA Astrophysics Data System (ADS)

Hooda, Ashima; Sanghi, Sujata; Agarwal, Ashish; Khasa, Satish; Hooda, Bhawana

2017-05-01

NiFe2O4, ZnFe2O4, Ni0.5Zn0.5Fe2O4 spinel samples have been synthesized by conventional solid state reaction technique. Powder X-ray diffraction and Rietveld refinement revealed that the samples were single Spinel phase with space group fd3m. The average crystalline size (D), lattice constant (a), X-ray density (ρx), measured density (ρm) and Porosity (P) of prepared samples were determined from XRD data. The dc electrical resistivity (p) was measured as a function of temperature. The variations of ρ were explained on the basis of Verwey and de Bohr mechanism. The value of DC resistivity found to increase with increase Zn concentration.

Application of grammar-based codes for lossless compression of digital mammograms

NASA Astrophysics Data System (ADS)

Li, Xiaoli; Krishnan, Srithar; Ma, Ngok-Wah

2006-01-01

A newly developed grammar-based lossless source coding theory and its implementation was proposed in 1999 and 2000, respectively, by Yang and Kieffer. The code first transforms the original data sequence into an irreducible context-free grammar, which is then compressed using arithmetic coding. In the study of grammar-based coding for mammography applications, we encountered two issues: processing time and limited number of single-character grammar G variables. For the first issue, we discover a feature that can simplify the matching subsequence search in the irreducible grammar transform process. Using this discovery, an extended grammar code technique is proposed and the processing time of the grammar code can be significantly reduced. For the second issue, we propose to use double-character symbols to increase the number of grammar variables. Under the condition that all the G variables have the same probability of being used, our analysis shows that the double- and single-character approaches have the same compression rates. By using the methods proposed, we show that the grammar code can outperform three other schemes: Lempel-Ziv-Welch (LZW), arithmetic, and Huffman on compression ratio, and has similar error tolerance capabilities as LZW coding under similar circumstances.

Braiding by Majorana tracking and long-range CNOT gates with color codes

NASA Astrophysics Data System (ADS)

Litinski, Daniel; von Oppen, Felix

2017-11-01

Color-code quantum computation seamlessly combines Majorana-based hardware with topological error correction. Specifically, as Clifford gates are transversal in two-dimensional color codes, they enable the use of the Majoranas' non-Abelian statistics for gate operations at the code level. Here, we discuss the implementation of color codes in arrays of Majorana nanowires that avoid branched networks such as T junctions, thereby simplifying their realization. We show that, in such implementations, non-Abelian statistics can be exploited without ever performing physical braiding operations. Physical braiding operations are replaced by Majorana tracking, an entirely software-based protocol which appropriately updates the Majoranas involved in the color-code stabilizer measurements. This approach minimizes the required hardware operations for single-qubit Clifford gates. For Clifford completeness, we combine color codes with surface codes, and use color-to-surface-code lattice surgery for long-range multitarget CNOT gates which have a time overhead that grows only logarithmically with the physical distance separating control and target qubits. With the addition of magic state distillation, our architecture describes a fault-tolerant universal quantum computer in systems such as networks of tetrons, hexons, or Majorana box qubits, but can also be applied to nontopological qubit platforms.

Single-intensity-recording optical encryption technique based on phase retrieval algorithm and QR code

NASA Astrophysics Data System (ADS)

Wang, Zhi-peng; Zhang, Shuai; Liu, Hong-zhao; Qin, Yi

2014-12-01

Based on phase retrieval algorithm and QR code, a new optical encryption technology that only needs to record one intensity distribution is proposed. In this encryption process, firstly, the QR code is generated from the information to be encrypted; and then the generated QR code is placed in the input plane of 4-f system to have a double random phase encryption. For only one intensity distribution in the output plane is recorded as the ciphertext, the encryption process is greatly simplified. In the decryption process, the corresponding QR code is retrieved using phase retrieval algorithm. A priori information about QR code is used as support constraint in the input plane, which helps solve the stagnation problem. The original information can be recovered without distortion by scanning the QR code. The encryption process can be implemented either optically or digitally, and the decryption process uses digital method. In addition, the security of the proposed optical encryption technology is analyzed. Theoretical analysis and computer simulations show that this optical encryption system is invulnerable to various attacks, and suitable for harsh transmission conditions.

An object-oriented approach for parallel self adaptive mesh refinement on block structured grids

NASA Technical Reports Server (NTRS)

Lemke, Max; Witsch, Kristian; Quinlan, Daniel

1993-01-01

Self-adaptive mesh refinement dynamically matches the computational demands of a solver for partial differential equations to the activity in the application's domain. In this paper we present two C++ class libraries, P++ and AMR++, which significantly simplify the development of sophisticated adaptive mesh refinement codes on (massively) parallel distributed memory architectures. The development is based on our previous research in this area. The C++ class libraries provide abstractions to separate the issues of developing parallel adaptive mesh refinement applications into those of parallelism, abstracted by P++, and adaptive mesh refinement, abstracted by AMR++. P++ is a parallel array class library to permit efficient development of architecture independent codes for structured grid applications, and AMR++ provides support for self-adaptive mesh refinement on block-structured grids of rectangular non-overlapping blocks. Using these libraries, the application programmers' work is greatly simplified to primarily specifying the serial single grid application and obtaining the parallel and self-adaptive mesh refinement code with minimal effort. Initial results for simple singular perturbation problems solved by self-adaptive multilevel techniques (FAC, AFAC), being implemented on the basis of prototypes of the P++/AMR++ environment, are presented. Singular perturbation problems frequently arise in large applications, e.g. in the area of computational fluid dynamics. They usually have solutions with layers which require adaptive mesh refinement and fast basic solvers in order to be resolved efficiently.

Simplified Thermo-Chemical Modelling For Hypersonic Flow

NASA Astrophysics Data System (ADS)

Sancho, Jorge; Alvarez, Paula; Gonzalez, Ezequiel; Rodriguez, Manuel

2011-05-01

Hypersonic flows are connected with high temperatures, generally associated with strong shock waves that appear in such flows. At high temperatures vibrational degrees of freedom of the molecules may become excited, the molecules may dissociate into atoms, the molecules or free atoms may ionize, and molecular or ionic species, unimportant at lower temperatures, may be formed. In order to take into account these effects, a chemical model is needed, but this model should be simplified in order to be handled by a CFD code, but with a sufficient precision to take into account the physics more important. This work is related to a chemical non-equilibrium model validation, implemented into a commercial CFD code, in order to obtain the flow field around bodies in hypersonic flow. The selected non-equilibrium model is composed of seven species and six direct reactions together with their inverse. The commercial CFD code where the non- equilibrium model has been implemented is FLUENT. For the validation, the X38/Sphynx Mach 20 case is rebuilt on a reduced geometry, including the 1/3 Lref forebody. This case has been run in laminar regime, non catalytic wall and with radiative equilibrium wall temperature. The validated non-equilibrium model is applied to the EXPERT (European Experimental Re-entry Test-bed) vehicle at a specified trajectory point (Mach number 14). This case has been run also in laminar regime, non catalytic wall and with radiative equilibrium wall temperature.

SPECabq v. 2.0

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

Chambers, Robert S.; Neidigk, Matthew A.

Sandia SPECabq is FORTRAN code that defines the user supplied subroutines needed to perform nonlinear viscoelastic analyses in the ABAQUS commercial finite element code based on the Simplified Potential Energy Clock (SPEC) Model. The SPEC model was published in the open literature in 2009. It must be compiled and linked with the ABAQUS libraries under the user supplied subroutine option of the ABAQUS executable script. The subroutine is used to analyze the thermomechanical behavior of isotropic polymers predicting things like how a polymer may undergo stress or volume relaxation under different temperature and loading environments. This subroutine enables the ABAQUSmore » finite element code to be used for analyzing the thermo-mechanical behavior of samples and parts that are made from glassy polymers.« less

A Fast Proceduere for Optimizing Thermal Protection Systems of Re-Entry Vehicles

NASA Astrophysics Data System (ADS)

Ferraiuolo, M.; Riccio, A.; Tescione, D.; Gigliotti, M.

The aim of the present work is to introduce a fast procedure to optimize thermal protection systems for re-entry vehicles subjected to high thermal loads. A simplified one-dimensional optimization process, performed in order to find the optimum design variables (lengths, sections etc.), is the first step of the proposed design procedure. Simultaneously, the most suitable materials able to sustain high temperatures and meeting the weight requirements are selected and positioned within the design layout. In this stage of the design procedure, simplified (generalized plane strain) FEM models are used when boundary and geometrical conditions allow the reduction of the degrees of freedom. Those simplified local FEM models can be useful because they are time-saving and very simple to build; they are essentially one dimensional and can be used for optimization processes in order to determine the optimum configuration with regard to weight, temperature and stresses. A triple-layer and a double-layer body, subjected to the same aero-thermal loads, have been optimized to minimize the overall weight. Full two and three-dimensional analyses are performed in order to validate those simplified models. Thermal-structural analyses and optimizations are executed by adopting the Ansys FEM code.

Jet-A reaction mechanism study for combustion application

NASA Technical Reports Server (NTRS)

Lee, Chi-Ming; Kundu, Krishna; Acosta, Waldo

1991-01-01

Simplified chemical kinetic reaction mechanisms for the combustion of Jet A fuel was studied. Initially, 40 reacting species and 118 elementary chemical reactions were chosen based on a literature review. Through a sensitivity analysis with the use of LSENS General Kinetics and Sensitivity Analysis Code, 16 species and 21 elementary chemical reactions were determined from this study. This mechanism is first justified by comparison of calculated ignition delay time with the available shock tube data, then it is validated by comparison of calculated emissions from the plug flow reactor code with in-house flame tube data.

Simplified Syndrome Decoding of (n, 1) Convolutional Codes

NASA Technical Reports Server (NTRS)

Reed, I. S.; Truong, T. K.

1983-01-01

A new syndrome decoding algorithm for the (n, 1) convolutional codes (CC) that is different and simpler than the previous syndrome decoding algorithm of Schalkwijk and Vinck is presented. The new algorithm uses the general solution of the polynomial linear Diophantine equation for the error polynomial vector E(D). This set of Diophantine solutions is a coset of the CC space. A recursive or Viterbi-like algorithm is developed to find the minimum weight error vector cirumflex E(D) in this error coset. An example illustrating the new decoding algorithm is given for the binary nonsymmetric (2,1)CC.

Modeling of the JET-EP ICRH antenna

NASA Astrophysics Data System (ADS)

Koch, R.; Amarante, G. S.; Heuraux, S.; Pécoul, S.; Louche, F.

2001-10-01

The new ICRH antenna planned for the Enhanced Performance phase of JET (JET-EP) is analyzed using the antenna coupling code ICANT, which self-consistently determines the currents on all antenna parts. This study addresses, using a simplified antenna model, the question of the impact on the coupling of the poloidal segmentation of the conductors, of their width and of their poloidal phasing. We also address the question of the relation between the imaginary part of the power computed by the code and the input impedance of the antenna. An example of current distribution on the complete antenna in vacuum is also shown.

Solid-state evaluation and polymorphic quantification of venlafaxine hydrochloride raw materials using the Rietveld method.

PubMed

Bernardi, Larissa S; Ferreira, Fábio F; Cuffini, Silvia L; Campos, Carlos E M; Monti, Gustavo A; Kuminek, Gislaine; Oliveira, Paulo R; Cardoso, Simone G

2013-12-15

Venlafaxine hydrochloride (VEN) is an antidepressant drug widely used for the treatment of depression. The purpose of this study was to carry out the preparation and solid state characterization of the pure polymorphs (Forms 1 and 2) and the polymorphic identification and quantification of four commercially-available VEN raw materials. These two polymorphic forms were obtained from different crystallization methods and characterized by X-ray Powder Diffraction (XRPD), Diffuse Reflectance Infrared Fourier Transform (DRIFT), Raman Spectroscopy (RS), liquid and solid state Nuclear Magnetic Resonance (NMR and ssNMR) spectroscopies, Differential Scanning Calorimetry (DSC), and Scanning Electron Microscopy (SEM) techniques. The main differences were observed by DSC and XRPD and the latter was chosen as the standard technique for the identification and quantification studies in combination with the Rietveld method for the commercial raw materials (VEN1-VEN4) acquired from different manufacturers. Additionally Form 1 and Form 2 can be clearly distinguished from their (13)C ssNMR spectra. Through the analysis, it was possible to conclude that VEN1 and VEN2 were composed only of Form 1, while VEN3 and VEN4 were a mixture of Forms 1 and 2. Additionally, the Rietveld refinement was successfully applied to quantify the polymorphic ratio for VEN3 and VEN4. Copyright © 2013 Elsevier B.V. All rights reserved.

A New Twist on the Marcum Q-Function and its Application

NASA Technical Reports Server (NTRS)

Simon, Marvin K.

1997-01-01

A new form of the Marcum Q-Function is presented that has both computational and analytical advantages. The new form is particularly useful in simplifying and rendering more accurate the analysis of the error probability performance of uncoded and coded partially coherent, differentially coherent, and noncoherent communication systems in the presence of fading.

TRO-2D - A code for rational transonic aerodynamic optimization

NASA Technical Reports Server (NTRS)

Davis, W. H., Jr.

1985-01-01

Features and sample applications of the transonic rational optimization (TRO-2D) code are outlined. TRO-2D includes the airfoil analysis code FLO-36, the CONMIN optimization code and a rational approach to defining aero-function shapes for geometry modification. The program is part of an effort to develop an aerodynamically smart optimizer that will simplify and shorten the design process. The user has a selection of drag minimization and associated minimum lift, moment, and the pressure distribution, a choice among 14 resident aero-function shapes, and options on aerodynamic and geometric constraints. Design variables such as the angle of attack, leading edge radius and camber, shock strength and movement, supersonic pressure plateau control, etc., are discussed. The results of calculations of a reduced leading edge camber transonic airfoil and an airfoil with a natural laminar flow are provided, showing that only four design variables need be specified to obtain satisfactory results.

Neoclassical orbit calculations with a full-f code for tokamak edge plasmas

NASA Astrophysics Data System (ADS)

Rognlien, T. D.; Cohen, R. H.; Dorr, M.; Hittinger, J.; Xu, X. Q.; Collela, P.; Martin, D.

2008-11-01

Ion distribution function modifications are considered for the case of neoclassical orbit widths comparable to plasma radial-gradient scale-lengths. Implementation of proper boundary conditions at divertor plates in the continuum TEMPEST code, including the effect of drifts in determining the direction of total flow, enables such calculations in single-null divertor geometry, with and without an electrostatic potential. The resultant poloidal asymmetries in densities, temperatures, and flows are discussed. For long-time simulations, a slow numerical instability develops, even in simplified (circular) geometry with no endloss, which aids identification of the mixed treatment of parallel and radial convection terms as the cause. The new Edge Simulation Laboratory code, expected to be operational, has algorithmic refinements that should address the instability. We will present any available results from the new code on this problem as well as geodesic acoustic mode tests.

Software Certification for Temporal Properties With Affordable Tool Qualification

NASA Technical Reports Server (NTRS)

Xia, Songtao; DiVito, Benedetto L.

2005-01-01

It has been recognized that a framework based on proof-carrying code (also called semantic-based software certification in its community) could be used as a candidate software certification process for the avionics industry. To meet this goal, tools in the "trust base" of a proof-carrying code system must be qualified by regulatory authorities. A family of semantic-based software certification approaches is described, each different in expressive power, level of automation and trust base. Of particular interest is the so-called abstraction-carrying code, which can certify temporal properties. When a pure abstraction-carrying code method is used in the context of industrial software certification, the fact that the trust base includes a model checker would incur a high qualification cost. This position paper proposes a hybrid of abstraction-based and proof-based certification methods so that the model checker used by a client can be significantly simplified, thereby leading to lower cost in tool qualification.

Cracking the code: the accuracy of coding shoulder procedures and the repercussions.

PubMed

Clement, N D; Murray, I R; Nie, Y X; McBirnie, J M

2013-05-01

Coding of patients' diagnosis and surgical procedures is subject to error levels of up to 40% with consequences on distribution of resources and financial recompense. Our aim was to explore and address reasons behind coding errors of shoulder diagnosis and surgical procedures and to evaluate a potential solution. A retrospective review of 100 patients who had undergone surgery was carried out. Coding errors were identified and the reasons explored. A coding proforma was designed to address these errors and was prospectively evaluated for 100 patients. The financial implications were also considered. Retrospective analysis revealed the correct primary diagnosis was assigned in 54 patients (54%) had an entirely correct diagnosis, and only 7 (7%) patients had a correct procedure code assigned. Coders identified indistinct clinical notes and poor clarity of procedure codes as reasons for errors. The proforma was significantly more likely to assign the correct diagnosis (odds ratio 18.2, p < 0.0001) and the correct procedure code (odds ratio 310.0, p < 0.0001). Using the proforma resulted in a £28,562 increase in revenue for the 100 patients evaluated relative to the income generated from the coding department. High error levels for coding are due to misinterpretation of notes and ambiguity of procedure codes. This can be addressed by allowing surgeons to assign the diagnosis and procedure using a simplified list that is passed directly to coding.

A graphically oriented specification language for automatic code generation. GRASP/Ada: A Graphical Representation of Algorithms, Structure, and Processes for Ada, phase 1

NASA Technical Reports Server (NTRS)

Cross, James H., II; Morrison, Kelly I.; May, Charles H., Jr.; Waddel, Kathryn C.

1989-01-01

The first phase of a three-phase effort to develop a new graphically oriented specification language which will facilitate the reverse engineering of Ada source code into graphical representations (GRs) as well as the automatic generation of Ada source code is described. A simplified view of the three phases of Graphical Representations for Algorithms, Structure, and Processes for Ada (GRASP/Ada) with respect to three basic classes of GRs is presented. Phase 1 concentrated on the derivation of an algorithmic diagram, the control structure diagram (CSD) (CRO88a) from Ada source code or Ada PDL. Phase 2 includes the generation of architectural and system level diagrams such as structure charts and data flow diagrams and should result in a requirements specification for a graphically oriented language able to support automatic code generation. Phase 3 will concentrate on the development of a prototype to demonstrate the feasibility of this new specification language.

HITEMP Material and Structural Optimization Technology Transfer

NASA Technical Reports Server (NTRS)

Collier, Craig S.; Arnold, Steve (Technical Monitor)

2001-01-01

The feasibility of adding viscoelasticity and the Generalized Method of Cells (GMC) for micromechanical viscoelastic behavior into the commercial HyperSizer structural analysis and optimization code was investigated. The viscoelasticity methodology was developed in four steps. First, a simplified algorithm was devised to test the iterative time stepping method for simple one-dimensional multiple ply structures. Second, GMC code was made into a callable subroutine and incorporated into the one-dimensional code to test the accuracy and usability of the code. Third, the viscoelastic time-stepping and iterative scheme was incorporated into HyperSizer for homogeneous, isotropic viscoelastic materials. Finally, the GMC was included in a version of HyperSizer. MS Windows executable files implementing each of these steps is delivered with this report, as well as source code. The findings of this research are that both viscoelasticity and GMC are feasible and valuable additions to HyperSizer and that the door is open for more advanced nonlinear capability, such as viscoplasticity.

CESAR: A Code for Nuclear Fuel and Waste Characterisation

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

Vidal, J.M.; Grouiller, J.P.; Launay, A.

2006-07-01

CESAR (Simplified Evolution Code Applied to Reprocessing) is a depletion code developed through a joint program between CEA and COGEMA. In the late 1980's, the first use of this code dealt with nuclear measurement at the Laboratories of the La Hague reprocessing plant. The use of CESAR was then extended to characterizations of all entrance materials and for characterisation, via tracer, of all produced waste. The code can distinguish more than 100 heavy nuclides, 200 fission products and 100 activation products, and it can characterise both the fuel and the structural material of the fuel. CESAR can also make depletionmore » calculations from 3 months to 1 million years of cooling time. Between 2003-2005, the 5. version of the code was developed. The modifications were related to the harmonisation of the code's nuclear data with the JEF2.2 nuclear data file. This paper describes the code and explains the extensive use of this code at the La Hague reprocessing plant and also for prospective studies. The second part focuses on the modifications of the latest version, and describes the application field and the qualification of the code. Many companies and the IAEA use CESAR today. CESAR offers a Graphical User Interface, which is very user-friendly. (authors)« less

RAMONA-4B a computer code with three-dimensional neutron kinetics for BWR and SBWR system transient - user`s manual

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

Rohatgi, U.S.; Cheng, H.S.; Khan, H.J.

This document is the User`s Manual for the Boiling Water Reactor (BWR), and Simplified Boiling Water Reactor (SBWR) systems transient code RAMONA-4B. The code uses a three-dimensional neutron-kinetics model coupled with a multichannel, nonequilibrium, drift-flux, phase-flow model of the thermal hydraulics of the reactor vessel. The code is designed to analyze a wide spectrum of BWR core and system transients. Chapter 1 gives an overview of the code`s capabilities and limitations; Chapter 2 describes the code`s structure, lists major subroutines, and discusses the computer requirements. Chapter 3 is on code, auxillary codes, and instructions for running RAMONA-4B on Sun SPARCmore » and IBM Workstations. Chapter 4 contains component descriptions and detailed card-by-card input instructions. Chapter 5 provides samples of the tabulated output for the steady-state and transient calculations and discusses the plotting procedures for the steady-state and transient calculations. Three appendices contain important user and programmer information: lists of plot variables (Appendix A) listings of input deck for sample problem (Appendix B), and a description of the plotting program PAD (Appendix C). 24 refs., 18 figs., 11 tabs.« less

The Modeling of Advanced BWR Fuel Designs with the NRC Fuel Depletion Codes PARCS/PATHS

DOE PAGES

Ward, Andrew; Downar, Thomas J.; Xu, Y.; ...

2015-04-22

The PATHS (PARCS Advanced Thermal Hydraulic Solver) code was developed at the University of Michigan in support of U.S. Nuclear Regulatory Commission research to solve the steady-state, two-phase, thermal-hydraulic equations for a boiling water reactor (BWR) and to provide thermal-hydraulic feedback for BWR depletion calculations with the neutronics code PARCS (Purdue Advanced Reactor Core Simulator). The simplified solution methodology, including a three-equation drift flux formulation and an optimized iteration scheme, yields very fast run times in comparison to conventional thermal-hydraulic systems codes used in the industry, while still retaining sufficient accuracy for applications such as BWR depletion calculations. Lastly, themore » capability to model advanced BWR fuel designs with part-length fuel rods and heterogeneous axial channel flow geometry has been implemented in PATHS, and the code has been validated against previously benchmarked advanced core simulators as well as BWR plant and experimental data. We describe the modifications to the codes and the results of the validation in this paper.« less

CACTI: Free, Open-Source Software for the Sequential Coding of Behavioral Interactions

PubMed Central

Glynn, Lisa H.; Hallgren, Kevin A.; Houck, Jon M.; Moyers, Theresa B.

2012-01-01

The sequential analysis of client and clinician speech in psychotherapy sessions can help to identify and characterize potential mechanisms of treatment and behavior change. Previous studies required coding systems that were time-consuming, expensive, and error-prone. Existing software can be expensive and inflexible, and furthermore, no single package allows for pre-parsing, sequential coding, and assignment of global ratings. We developed a free, open-source, and adaptable program to meet these needs: The CASAA Application for Coding Treatment Interactions (CACTI). Without transcripts, CACTI facilitates the real-time sequential coding of behavioral interactions using WAV-format audio files. Most elements of the interface are user-modifiable through a simple XML file, and can be further adapted using Java through the terms of the GNU Public License. Coding with this software yields interrater reliabilities comparable to previous methods, but at greatly reduced time and expense. CACTI is a flexible research tool that can simplify psychotherapy process research, and has the potential to contribute to the improvement of treatment content and delivery. PMID:22815713

Propellant Chemistry for CFD Applications

NASA Technical Reports Server (NTRS)

Farmer, R. C.; Anderson, P. G.; Cheng, Gary C.

1996-01-01

Current concepts for reusable launch vehicle design have created renewed interest in the use of RP-1 fuels for high pressure and tri-propellant propulsion systems. Such designs require the use of an analytical technology that accurately accounts for the effects of real fluid properties, combustion of large hydrocarbon fuel modules, and the possibility of soot formation. These effects are inadequately treated in current computational fluid dynamic (CFD) codes used for propulsion system analyses. The objective of this investigation is to provide an accurate analytical description of hydrocarbon combustion thermodynamics and kinetics that is sufficiently computationally efficient to be a practical design tool when used with CFD codes such as the FDNS code. A rigorous description of real fluid properties for RP-1 and its combustion products will be derived from the literature and from experiments conducted in this investigation. Upon the establishment of such a description, the fluid description will be simplified by using the minimum of empiricism necessary to maintain accurate combustion analyses and including such empirical models into an appropriate CFD code. An additional benefit of this approach is that the real fluid properties analysis simplifies the introduction of the effects of droplet sprays into the combustion model. Typical species compositions of RP-1 have been identified, surrogate fuels have been established for analyses, and combustion and sooting reaction kinetics models have been developed. Methods for predicting the necessary real fluid properties have been developed and essential experiments have been designed. Verification studies are in progress, and preliminary results from these studies will be presented. The approach has been determined to be feasible, and upon its completion the required methodology for accurate performance and heat transfer CFD analyses for high pressure, tri-propellant propulsion systems will be available.

LAURA Users Manual: 5.3-48528

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Chirstopher O.; Kleb, Bil

2010-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.5-64987

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, William L.

2013-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintain ability by eliminating the requirement for problem dependent recompilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.4-54166

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2011-01-01

This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

LAURA Users Manual: 5.2-43231

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2009-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multiphysics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

Laura Users Manual: 5.1-41601

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

2009-01-01

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multiphysics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

Improving 1D Stellar Models with 3D Atmospheres

NASA Astrophysics Data System (ADS)

Mosumgaard, Jakob Rørsted; Silva Aguirre, Víctor; Weiss, Achim; Christensen-Dalsgaard, Jørgen; Trampedach, Regner

2017-10-01

Stellar evolution codes play a major role in present-day astrophysics, yet they share common issues. In this work we seek to remedy some of those by the use of results from realistic and highly detailed 3D hydrodynamical simulations of stellar atmospheres. We have implemented a new temperature stratification extracted directly from the 3D simulations into the Garching Stellar Evolution Code to replace the simplified atmosphere normally used. Secondly, we have implemented the use of a variable mixing-length parameter, which changes as a function of the stellar surface gravity and temperature - also derived from the 3D simulations. Furthermore, to make our models consistent, we have calculated new opacity tables to match the atmospheric simulations. Here, we present the modified code and initial results on stellar evolution using it.

Development of comprehensive numerical schemes for predicting evaporating gas-droplets flow processes of a liquid-fueled combustor

NASA Technical Reports Server (NTRS)

Chen, C. P.

1990-01-01

An existing Computational Fluid Dynamics code for simulating complex turbulent flows inside a liquid rocket combustion chamber was validated and further developed. The Advanced Rocket Injector/Combustor Code (ARICC) is simplified and validated against benchmark flow situations for laminar and turbulent flows. The numerical method used in ARICC Code is re-examined for incompressible flow calculations. For turbulent flows, both the subgrid and the two equation k-epsilon turbulence models are studied. Cases tested include idealized Burger's equation in complex geometries and boundaries, a laminar pipe flow, a high Reynolds number turbulent flow, and a confined coaxial jet with recirculations. The accuracy of the algorithm is examined by comparing the numerical results with the analytical solutions as well as experimented data with different grid sizes.

Accuracy and convergence of coupled finite-volume/Monte Carlo codes for plasma edge simulations of nuclear fusion reactors

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

Ghoos, K., E-mail: kristel.ghoos@kuleuven.be; Dekeyser, W.; Samaey, G.

2016-10-01

The plasma and neutral transport in the plasma edge of a nuclear fusion reactor is usually simulated using coupled finite volume (FV)/Monte Carlo (MC) codes. However, under conditions of future reactors like ITER and DEMO, convergence issues become apparent. This paper examines the convergence behaviour and the numerical error contributions with a simplified FV/MC model for three coupling techniques: Correlated Sampling, Random Noise and Robbins Monro. Also, practical procedures to estimate the errors in complex codes are proposed. Moreover, first results with more complex models show that an order of magnitude speedup can be achieved without any loss in accuracymore » by making use of averaging in the Random Noise coupling technique.« less

Elaborate SMART MCNP Modelling Using ANSYS and Its Applications

NASA Astrophysics Data System (ADS)

Song, Jaehoon; Surh, Han-bum; Kim, Seung-jin; Koo, Bonsueng

2017-09-01

An MCNP 3-dimensional model can be widely used to evaluate various design parameters such as a core design or shielding design. Conventionally, a simplified 3-dimensional MCNP model is applied to calculate these parameters because of the cumbersomeness of modelling by hand. ANSYS has a function for converting the CAD `stp' format into an MCNP input in the geometry part. Using ANSYS and a 3- dimensional CAD file, a very detailed and sophisticated MCNP 3-dimensional model can be generated. The MCNP model is applied to evaluate the assembly weighting factor at the ex-core detector of SMART, and the result is compared with a simplified MCNP SMART model and assembly weighting factor calculated by DORT, which is a deterministic Sn code.

WinPSSP : a revamp of the computer program PSSP and its performance solving the crystal structures of small organic compounds and solids of biological and pharmaceutical interest

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

Pagola, Silvina; Polymeros, Alekos; Kourkoumelis, Nikolaos

2017-02-01

The direct-space methods softwarePowder Structure Solution Program(PSSP) [Pagola & Stephens (2010).J. Appl. Cryst.43, 370–376] has been migrated to the Windows OS and the code has been optimized for fast runs.WinPSSPis a user-friendly graphical user interface that allows the input of preliminary crystal structure information, integrated intensities of the reflections and FWHM, the definition of structural parameters and a simulated annealing schedule, and the visualization of the calculated and experimental diffraction data overlaid for each individual solution. The solutions are reported as filename.cif files, which can be used to analyze packing motifs and chemical bonding, and to input the atomic coordinatesmore » into the Rietveld analysis softwareGSAS. WinPSSPperformance in straightforward crystal structure determinations has been evaluated using 18 molecular solids with 6–20 degrees of freedom. The free-distribution program as well as multimedia tutorials can be accessed at http://users.uoi.gr/nkourkou/winpssp/.« less

RADTRAD: A simplified model for RADionuclide Transport and Removal And Dose estimation

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

Humphreys, S.L.; Miller, L.A.; Monroe, D.K.

1998-04-01

This report documents the RADTRAD computer code developed for the U.S. Nuclear Regulatory Commission (NRC) Office of Nuclear Reactor Regulation (NRR) to estimate transport and removal of radionuclides and dose at selected receptors. The document includes a users` guide to the code, a description of the technical basis for the code, the quality assurance and code acceptance testing documentation, and a programmers` guide. The RADTRAD code can be used to estimate the containment release using either the NRC TID-14844 or NUREG-1465 source terms and assumptions, or a user-specified table. In addition, the code can account for a reduction in themore » quantity of radioactive material due to containment sprays, natural deposition, filters, and other natural and engineered safety features. The RADTRAD code uses a combination of tables and/or numerical models of source term reduction phenomena to determine the time-dependent dose at user-specified locations for a given accident scenario. The code system also provides the inventory, decay chain, and dose conversion factor tables needed for the dose calculation. The RADTRAD code can be used to assess occupational radiation exposures, typically in the control room; to estimate site boundary doses; and to estimate dose attenuation due to modification of a facility or accident sequence.« less

Efficient and Robust Signal Approximations

DTIC Science & Technology

2009-05-01

otherwise. Remark. Permutation matrices are both orthogonal and doubly- stochastic [62]. We will now show how to further simplify the Robust Coding...reporting burden for the collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching...Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 Keywords: signal processing, image compression, independent component analysis , sparse

Initial Coupling of the RELAP-7 and PRONGHORN Applications

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

J. Ortensi; D. Andrs; A.A. Bingham

2012-10-01

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations inmore » 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.« less

Comparison of Online Dementia Information in Chinese and in English Languages

PubMed Central

Tsiang, John T

2017-01-01

Introduction There is a deficit of avenues for obtaining dementia information in the Asian American community. This study aims to compare the content and quality differences between websites providing information on dementia as found by a Google search conducted both in simplified Chinese characters and in English. Methods A Google search was performed for the phrase “dementia” in simplified Chinese characters and in English. The resultant websites were categorized by whether they were commercial in nature, the type of website, and whether the website provided an explanation of dementia signs and symptoms. The quality of the websites was assessed via readability and the Health on the Net Code of Conduct (HONcode). Chi-squared analyses were performed to establish differences between the English and simplified Chinese results. Results The simplified Chinese search websites were more likely to be commercial (p=0.045) and were more likely to not meet HONcode standards (p=0.008). No statistical significance was observed between the types of websites (p=0.127), the prevalence of signs and symptom explanations (p=0.073), and the readability of the website (p=0.151). Conclusion The quality of websites obtained from the simplified Chinese character Google search was lower than those obtained from searches using the English language. Given the limited sources of language and culturally appropriate information on dementia, improvement of Internet resources may help to improve health outcomes of dementia patients in the Asian American population. PMID:29308336

Physics behind the mechanical nucleosome positioning code

NASA Astrophysics Data System (ADS)

Zuiddam, Martijn; Everaers, Ralf; Schiessel, Helmut

2017-11-01

The positions along DNA molecules of nucleosomes, the most abundant DNA-protein complexes in cells, are influenced by the sequence-dependent DNA mechanics and geometry. This leads to the "nucleosome positioning code", a preference of nucleosomes for certain sequence motives. Here we introduce a simplified model of the nucleosome where a coarse-grained DNA molecule is frozen into an idealized superhelical shape. We calculate the exact sequence preferences of our nucleosome model and find it to reproduce qualitatively all the main features known to influence nucleosome positions. Moreover, using well-controlled approximations to this model allows us to come to a detailed understanding of the physics behind the sequence preferences of nucleosomes.

Modeling of two-phase flow instabilities during startup transients utilizing RAMONA-4B methodology

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

Paniagua, J.; Rohatgi, U.S.; Prasad, V.

1996-10-01

RAMONA-4B code is currently under development for simulating thermal hydraulic instabilities that can occur in Boiling Water Reactors (BWRs) and the Simplified Boiling Water Reactor (SBWR). As one of the missions of RAMONA-4B is to simulate SBWR startup transients, where geysering or condensation-induced instability may be encountered, the code needs to be assessed for this application. This paper outlines the results of the assessments of the current version of RAMONA-4B and the modifications necessary for simulating the geysering or condensation-induced instability. The test selected for assessment are the geysering tests performed by Prof Aritomi (1993).

Investigation of phase segregation using Rietveld refinement in Mg doped BaTiO3 solid solutions and their ferroelectric properties

NASA Astrophysics Data System (ADS)

Aanchal, Kaur, Kiranpreet; Singh, Anupinder; Singh, Mandeep

2018-05-01

Ba(1-x) Mgx Ti O3 (BMT) samples were synthesised using solid state reaction route with `x' varying from 0.025 to 0.10. The structural and ferroelectric properties of the bulk samples were investigated. The XRD analysis shows the presence of two phases, the first phase being magnesium doped BT (space group P4mm) and the second phase being Ba2TiO4 (space group Pna21). The tetragonal phase was found to be the major phase in the samples. The double phase Rietveld refinement was done and the weight percentage of orthorhombic phase was found to vary from 3.43% to 6.96% for x varying from 0.025≤x≤0.10. The P - E measurements reveal that all the samples exhibit lossy behaviour.

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} piezoceramics

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

Upadhyay, Ashutosh; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in

2015-04-14

Results of the room temperature structural studies on (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases inmore » the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.« less

Phase Compositions of Self Reinforcement Al2O3/CaAl12O19 Composite using X-ray Diffraction Data and Rietveld Technique

NASA Astrophysics Data System (ADS)

Asmi, D.; Low, I. M.; O'Connor, B.

2008-03-01

The analysis of x-ray diffraction (XRD) patterns by the Rietveld technique was tested to the quantitatively phase compositions of self reinforcement Al2O3/CaAl12O19 composite. Room-temperature XRD patterns revealed that α-Al2O3 was the only phase presence in the CA0 sample, whereas the α-Al2O3 and CaAl12O19 phases were found for CA5, CA15, CA30, and CA50 samples. The peak intensity of CA6 in the self reinforcement Al2O3/CaAl12O19 composites increased in proportion with increase in CaAl12O19 content in contrast to α-Al2O3. The diffraction patterns for CA100 sample shows minor traces of α-Al2O3 even in relatively low peak intensity. It is suggesting that the in-situ reaction sintering of raw materials were not react completely to form 100 wt% CaAl12O19 at temperature 1650 °C. Quantitative phase compositions of self reinforcement Al2O3/CaAl12O19 composites by Rietveld analysis with XRD data has been well demonstrated. The results showed that the GOF values are relatively low and the fluctuation in the difference plots shows a reasonable fit between the observed and the calculated plot.

Improved Helicopter Rotor Performance Prediction through Loose and Tight CFD/CSD Coupling

NASA Astrophysics Data System (ADS)

Ickes, Jacob C.

Helicopters and other Vertical Take-Off or Landing (VTOL) vehicles exhibit an interesting combination of structural dynamic and aerodynamic phenomena which together drive the rotor performance. The combination of factors involved make simulating the rotor a challenging and multidisciplinary effort, and one which is still an active area of interest in the industry because of the money and time it could save during design. Modern tools allow the prediction of rotorcraft physics from first principles. Analysis of the rotor system with this level of accuracy provides the understanding necessary to improve its performance. There has historically been a divide between the comprehensive codes which perform aeroelastic rotor simulations using simplified aerodynamic models, and the very computationally intensive Navier-Stokes Computational Fluid Dynamics (CFD) solvers. As computer resources become more available, efforts have been made to replace the simplified aerodynamics of the comprehensive codes with the more accurate results from a CFD code. The objective of this work is to perform aeroelastic rotorcraft analysis using first-principles simulations for both fluids and structural predictions using tools available at the University of Toledo. Two separate codes are coupled together in both loose coupling (data exchange on a periodic interval) and tight coupling (data exchange each time step) schemes. To allow the coupling to be carried out in a reliable and efficient way, a Fluid-Structure Interaction code was developed which automatically performs primary functions of loose and tight coupling procedures. Flow phenomena such as transonics, dynamic stall, locally reversed flow on a blade, and Blade-Vortex Interaction (BVI) were simulated in this work. Results of the analysis show aerodynamic load improvement due to the inclusion of the CFD-based airloads in the structural dynamics analysis of the Computational Structural Dynamics (CSD) code. Improvements came in the form of improved peak/trough magnitude prediction, better phase prediction of these locations, and a predicted signal with a frequency content more like the flight test data than the CSD code acting alone. Additionally, a tight coupling analysis was performed as a demonstration of the capability and unique aspects of such an analysis. This work shows that away from the center of the flight envelope, the aerodynamic modeling of the CSD code can be replaced with a more accurate set of predictions from a CFD code with an improvement in the aerodynamic results. The better predictions come at substantially increased computational costs between 1,000 and 10,000 processor-hours.

A high burnup model developed for the DIONISIO code

NASA Astrophysics Data System (ADS)

Soba, A.; Denis, A.; Romero, L.; Villarino, E.; Sardella, F.

2013-02-01

A group of subroutines, designed to extend the application range of the fuel performance code DIONISIO to high burn up, has recently been included in the code. The new calculation tools, which are tuned for UO2 fuels in LWR conditions, predict the radial distribution of power density, burnup, and concentration of diverse nuclides within the pellet. The balance equations of all the isotopes involved in the fission process are solved in a simplified manner, and the one-group effective cross sections of all of them are obtained as functions of the radial position in the pellet, burnup, and enrichment in 235U. In this work, the subroutines are described and the results of the simulations performed with DIONISIO are presented. The good agreement with the data provided in the FUMEX II/III NEA data bank can be easily recognized.

A Boundary Condition for Simulation of Flow Over Porous Surfaces

NASA Technical Reports Server (NTRS)

Frink, Neal T.; Bonhaus, Daryl L.; Vatsa, Veer N.; Bauer, Steven X. S.; Tinetti, Ana F.

2001-01-01

A new boundary condition is presented.for simulating the flow over passively porous surfaces. The model builds on the prior work of R.H. Bush to eliminate the need for constructing grid within an underlying plenum, thereby simplifying the numerical modeling of passively porous flow control systems and reducing computation cost. Code experts.for two structured-grid.flow solvers, TLNS3D and CFL3D. and one unstructured solver, USM3Dns, collaborated with an experimental porosity expert to develop the model and implement it into their respective codes. Results presented,for the three codes on a slender forebody with circumferential porosity and a wing with leading-edge porosity demonstrate a good agreement with experimental data and a remarkable ability to predict the aggregate aerodynamic effects of surface porosity with a simple boundary condition.

A simplified computer solution for the flexibility matrix of contacting teeth for spiral bevel gears

NASA Technical Reports Server (NTRS)

Hsu, C. Y.; Cheng, H. S.

1987-01-01

A computer code, FLEXM, was developed to calculate the flexibility matrices of contacting teeth for spiral bevel gears using a simplified analysis based on the elementary beam theory for the deformation of gear and shaft. The simplified theory requires a computer time at least one order of magnitude less than that needed for the complete finite element method analysis reported earlier by H. Chao, and it is much easier to apply for different gear and shaft geometries. Results were obtained for a set of spiral bevel gears. The teeth deflections due to torsion, bending moment, shearing strain and axial force were found to be in the order 10(-5), 10(-6), 10(-7), and 10(-8) respectively. Thus, the torsional deformation was the most predominant factor. In the analysis of dynamic load, response frequencies were found to be larger when the mass or moment of inertia was smaller or the stiffness was larger. The change in damping coefficient had little influence on the resonance frequency, but has a marked influence on the dynamic load at the resonant frequencies.

A Simplified GCS-DCSK Modulation and Its Performance Optimization

NASA Astrophysics Data System (ADS)

Xu, Weikai; Wang, Lin; Chi, Chong-Yung

2016-12-01

In this paper, a simplified Generalized Code-Shifted Differential Chaos Shift Keying (GCS-DCSK) whose transmitter never needs any delay circuits, is proposed. However, its performance is deteriorated because the orthogonality between substreams cannot be guaranteed. In order to optimize its performance, the system model of the proposed GCS-DCSK with power allocations on substreams is presented. An approximate bit error rate (BER) expression of the proposed model, which is a function of substreams’ power, is derived using Gaussian Approximation. Based on the BER expression, an optimal power allocation strategy between information substreams and reference substream is obtained. Simulation results show that the BER performance of the proposed GCS-DCSK with the optimal power allocation can be significantly improved when the number of substreams M is large.

Probabilistic Structures Analysis Methods (PSAM) for select space propulsion system components

NASA Technical Reports Server (NTRS)

1991-01-01

The basic formulation for probabilistic finite element analysis is described and demonstrated on a few sample problems. This formulation is based on iterative perturbation that uses the factorized stiffness on the unperturbed system as the iteration preconditioner for obtaining the solution to the perturbed problem. This approach eliminates the need to compute, store and manipulate explicit partial derivatives of the element matrices and force vector, which not only reduces memory usage considerably, but also greatly simplifies the coding and validation tasks. All aspects for the proposed formulation were combined in a demonstration problem using a simplified model of a curved turbine blade discretized with 48 shell elements, and having random pressure and temperature fields with partial correlation, random uniform thickness, and random stiffness at the root.

Time domain topology optimization of 3D nanophotonic devices

NASA Astrophysics Data System (ADS)

Elesin, Y.; Lazarov, B. S.; Jensen, J. S.; Sigmund, O.

2014-02-01

We present an efficient parallel topology optimization framework for design of large scale 3D nanophotonic devices. The code shows excellent scalability and is demonstrated for optimization of broadband frequency splitter, waveguide intersection, photonic crystal-based waveguide and nanowire-based waveguide. The obtained results are compared to simplified 2D studies and we demonstrate that 3D topology optimization may lead to significant performance improvements.

Li-SF(6) Combustion in Stored Chemical Energy Propulsion Systems

DTIC Science & Technology

1990-07-01

S 3. STRUCTURE OF SF6 3ETS IN MOLTEN LI ........... ................. 8 3.1 Mathematical Model ...ill - ABSTRACT Appropriate thermodynamic models and thermo-chemical data for multicompo- nents and immiscible phases have been Incorporated into a code...by a simplified integral model which was improved9 by the use of the local homogeneous flow approximation, equilibrium combustion model and Kc-C-g

EXFILE: A program for compiling irradiation data on UN and UC fuel pins

NASA Technical Reports Server (NTRS)

Mayer, J. T.; Smith, R. L.; Weinstein, M. B.; Davison, H. W.

1973-01-01

A FORTRAN-4 computer program for handling fuel pin data is described. Its main features include standardized output, easy access for data manipulation, and tabulation of important material property data. An additional feature allows simplified preparation of input decks for a fuel swelling computer code (CYGRO-2). Data from over 300 high temperature nitride and carbide based fuel pin irradiations are listed.

Solar dynamic power for the Space Station

NASA Technical Reports Server (NTRS)

Archer, J. S.; Diamant, E. S.

1986-01-01

This paper describes a computer code which provides a significant advance in the systems analysis capabilities of solar dynamic power modules. While the code can be used to advantage in the preliminary analysis of terrestrial solar dynamic modules its real value lies in the adaptions which make it particularly useful for the conceptualization of optimized power modules for space applications. In particular, as illustrated in the paper, the code can be used to establish optimum values of concentrator diameter, concentrator surface roughness, concentrator rim angle and receiver aperture corresponding to the main heat cycle options - Organic Rankine and Brayton - and for certain receiver design options. The code can also be used to establish system sizing margins to account for the loss of reflectivity in orbit or the seasonal variation of insolation. By the simulation of the interactions among the major components of a solar dynamic module and through simplified formulations of the major thermal-optic-thermodynamic interactions the code adds a powerful, efficient and economic analytical tool to the repertory of techniques available for the design of advanced space power systems.

User's manual for the ALS base heating prediction code, volume 2

NASA Technical Reports Server (NTRS)

Reardon, John E.; Fulton, Michael S.

1992-01-01

The Advanced Launch System (ALS) Base Heating Prediction Code is based on a generalization of first principles in the prediction of plume induced base convective heating and plume radiation. It should be considered to be an approximate method for evaluating trends as a function of configuration variables because the processes being modeled are too complex to allow an accurate generalization. The convective methodology is based upon generalizing trends from four nozzle configurations, so an extension to use the code with strap-on boosters, multiple nozzle sizes, and variations in the propellants and chamber pressure histories cannot be precisely treated. The plume radiation is more amenable to precise computer prediction, but simplified assumptions are required to model the various aspects of the candidate configurations. Perhaps the most difficult area to characterize is the variation of radiation with altitude. The theory in the radiation predictions is described in more detail. This report is intended to familiarize a user with the interface operation and options, to summarize the limitations and restrictions of the code, and to provide information to assist in installing the code.

Transient Ejector Analysis (TEA) code user's guide

NASA Technical Reports Server (NTRS)

Drummond, Colin K.

1993-01-01

A FORTRAN computer program for the semi analytic prediction of unsteady thrust augmenting ejector performance has been developed, based on a theoretical analysis for ejectors. That analysis blends classic self-similar turbulent jet descriptions with control-volume mixing region elements. Division of the ejector into an inlet, diffuser, and mixing region allowed flexibility in the modeling of the physics for each region. In particular, the inlet and diffuser analyses are simplified by a quasi-steady-analysis, justified by the assumption that pressure is the forcing function in those regions. Only the mixing region is assumed to be dominated by viscous effects. The present work provides an overview of the code structure, a description of the required input and output data file formats, and the results for a test case. Since there are limitations to the code for applications outside the bounds of the test case, the user should consider TEA as a research code (not as a production code), designed specifically as an implementation of the proposed ejector theory. Program error flags are discussed, and some diagnostic routines are presented.

ICD-10 procedure codes produce transition challenges.

PubMed

Boyd, Andrew D; Li, Jianrong 'John'; Kenost, Colleen; Zaim, Samir Rachid; Krive, Jacob; Mittal, Manish; Satava, Richard A; Burton, Michael; Smith, Jacob; Lussier, Yves A

2018-01-01

The transition of procedure coding from ICD-9-CM-Vol-3 to ICD-10-PCS has generated problems for the medical community at large resulting from the lack of clarity required to integrate two non-congruent coding systems. We hypothesized that quantifying these issues with network topology analyses offers a better understanding of the issues, and therefore we developed solutions (online tools) to empower hospital administrators and researchers to address these challenges. Five topologies were identified: "identity"(I), "class-to-subclass"(C2S), "subclass-toclass"(S2C), "convoluted(C)", and "no mapping"(NM). The procedure codes in the 2010 Illinois Medicaid dataset (3,290 patients, 116 institutions) were categorized as C=55%, C2S=40%, I=3%, NM=2%, and S2C=1%. Majority of the problematic and ambiguous mappings (convoluted) pertained to operations in ophthalmology cardiology, urology, gyneco-obstetrics, and dermatology. Finally, the algorithms were expanded into a user-friendly tool to identify problematic topologies and specify lists of procedural codes utilized by medical professionals and researchers for mitigating error-prone translations, simplifying research, and improving quality.http://www.lussiergroup.org/transition-to-ICD10PCS.

Shannon Entropy of the Canonical Genetic Code

NASA Astrophysics Data System (ADS)

Nemzer, Louis

The probability that a non-synonymous point mutation in DNA will adversely affect the functionality of the resultant protein is greatly reduced if the substitution is conservative. In that case, the amino acid coded by the mutated codon has similar physico-chemical properties to the original. Many simplified alphabets, which group the 20 common amino acids into families, have been proposed. To evaluate these schema objectively, we introduce a novel, quantitative method based on the inherent redundancy in the canonical genetic code. By calculating the Shannon information entropy carried by 1- or 2-bit messages, groupings that best leverage the robustness of the code are identified. The relative importance of properties related to protein folding - like hydropathy and size - and function, including side-chain acidity, can also be estimated. In addition, this approach allows us to quantify the average information value of nucleotide codon positions, and explore the physiological basis for distinguishing between transition and transversion mutations. Supported by NSU PFRDG Grant #335347.

TEMPEST code modifications and testing for erosion-resisting sludge simulations

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

Onishi, Y.; Trent, D.S.

The TEMPEST computer code has been used to address many waste retrieval operational and safety questions regarding waste mobilization, mixing, and gas retention. Because the amount of sludge retrieved from the tank is directly related to the sludge yield strength and the shear stress acting upon it, it is important to incorporate the sludge yield strength into simulations of erosion-resisting tank waste retrieval operations. This report describes current efforts to modify the TEMPEST code to simulate pump jet mixing of erosion-resisting tank wastes and the models used to test for erosion of waste sludge with yield strength. Test results formore » solid deposition and diluent/slurry jet injection into sludge layers in simplified tank conditions show that the modified TEMPEST code has a basic ability to simulate both the mobility and immobility of the sludges with yield strength. Further testing, modification, calibration, and verification of the sludge mobilization/immobilization model are planned using erosion data as they apply to waste tank sludges.« less

Fault-tolerant conversion between adjacent Reed-Muller quantum codes based on gauge fixing

NASA Astrophysics Data System (ADS)

Quan, Dong-Xiao; Zhu, Li-Li; Pei, Chang-Xing; Sanders, Barry C.

2018-03-01

We design forward and backward fault-tolerant conversion circuits, which convert between the Steane code and the 15-qubit Reed-Muller quantum code so as to provide a universal transversal gate set. In our method, only seven out of a total 14 code stabilizers need to be measured, and we further enhance the circuit by simplifying some stabilizers; thus, we need only to measure eight weight-4 stabilizers for one round of forward conversion and seven weight-4 stabilizers for one round of backward conversion. For conversion, we treat random single-qubit errors and their influence on syndromes of gauge operators, and our novel single-step process enables more efficient fault-tolerant conversion between these two codes. We make our method quite general by showing how to convert between any two adjacent Reed-Muller quantum codes \\overline{\\textsf{RM}}(1,m) and \\overline{\\textsf{RM}}≤ft(1,m+1\\right) , for which we need only measure stabilizers whose number scales linearly with m rather than exponentially with m obtained in previous work. We provide the explicit mathematical expression for the necessary stabilizers and the concomitant resources required.

Rooted tRNAomes and evolution of the genetic code

PubMed Central

Pak, Daewoo; Du, Nan; Kim, Yunsoo; Sun, Yanni

2018-01-01

ABSTRACT We advocate for a tRNA- rather than an mRNA-centric model for evolution of the genetic code. The mechanism for evolution of cloverleaf tRNA provides a root sequence for radiation of tRNAs and suggests a simplified understanding of code evolution. To analyze code sectoring, rooted tRNAomes were compared for several archaeal and one bacterial species. Rooting of tRNAome trees reveals conserved structures, indicating how the code was shaped during evolution and suggesting a model for evolution of a LUCA tRNAome tree. We propose the polyglycine hypothesis that the initial product of the genetic code may have been short chain polyglycine to stabilize protocells. In order to describe how anticodons were allotted in evolution, the sectoring-degeneracy hypothesis is proposed. Based on sectoring, a simple stepwise model is developed, in which the code sectors from a 1→4→8→∼16 letter code. At initial stages of code evolution, we posit strong positive selection for wobble base ambiguity, supporting convergence to 4-codon sectors and ∼16 letters. In a later stage, ∼5–6 letters, including stops, were added through innovating at the anticodon wobble position. In archaea and bacteria, tRNA wobble adenine is negatively selected, shrinking the maximum size of the primordial genetic code to 48 anticodons. Because 64 codons are recognized in mRNA, tRNA-mRNA coevolution requires tRNA wobble position ambiguity leading to degeneracy of the code. PMID:29372672

Applying the X-ray diffraction analysis for estimating the height and width of nanorods in low symmetry crystal multiphase materials

NASA Astrophysics Data System (ADS)

Mokhtari, Ali; Soleimanian, Vishtasb; Dehkordi, Hamed Aleebrahim; Dastafkan, Kamran

2017-11-01

In this work the potential of Rietveld refinement procedure is used to study the shape and size of non-spherical nanocrystallites. The main advantages of this approach are that not only it can successfully extend to all nanomaterials with different crystal symmetries but also it can evaluate the various phases of multiple materials comparing to electron microscopy methods. Therefore, between seven crystal systems, the formulation of monoclinic and hexagonal crystals is developed. This procedure is applied for the mixture of sodium carbonate and zinc oxide nanocrystallites at different fractions of doped gadolinium oxide. It is found that the crystallites of sodium carbonate and zinc oxide have the rod and ellipsoidal shapes, respectively. The microstructure results are compared with the results of scanning electron microscopy imaging. Good agreement is achieved between the results of scanning electron microscopy and Rietveld methods.

Rietveld refinement, dielectric and magnetic properties of Nb modified Bi0.80Ba0.20FeO3 ceramic

NASA Astrophysics Data System (ADS)

Jangra, Sandhaya; Sanghi, Sujata; Agarwal, Ashish; Rangi, Manisha

2018-05-01

Bi0.80Ba0.20Fe0.95Nb0.05O3 ceramic has been prepared via conventional solid state reaction method. Structure analysis was carried out by X-ray diffraction (XRD) technique at room temperature. XRD pattern confirmed the crystalline nature of prepared sample. Rietveld analysis used for further structural investigations and confirmed the existence of rhombohedral symmetry (R3c space group). The dielectric response shows dispersion at lower frequency range and becomes frequency independent at high frequency. The approximation of conduction mechanism is determined by the temperature dependent behavior of frequency exponent `s'. Fitting results suggests the applicability of small polaron conduction mechanism at lower temperatures and CBH model at higher temperature. Room temperature magnetic measurements give the evidence of significant enhancement in magnetic properties with remanent magnetization (Mr = 0.1218 emu/g) and coercive field (Hc = 3.5342 kOe).

Crystal structure and europium luminescence of NaMgH3-xFx

NASA Astrophysics Data System (ADS)

Pflug, Christian; Franz, Alexandra; Kohlmann, Holger

2018-02-01

The solid solution series NaMgH3-xFx (x = 0, 0.5, 1, 1.5, 2, 2.5, 3) was synthesized by solid-state reactions under hydrogen gas pressure from binary ionic hydrides, fluorides and magnesium. Rietveld refinement based on X-ray powder diffraction data revealed the GdFeO3-structure type for all compounds and a trend of lattice parameters according to Vegard's law. The anion distribution in NaMgD2F and NaMgD1.5F1.5 was found to be statistical by Rietveld refinement based on neutron powder diffraction data. Photoluminescence measurements on europium(II) substituted NaMgH3-xFx revealed a strong red shift of the emission wavelength (λem = 665 nm for NaMgH2F:Eu) in comparison to violet emitting NaMgF3:Eu.

Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P.

PubMed

Morris, Samuel A; Wheatley, Paul S; Položij, Miroslav; Nachtigall, Petr; Eliášová, Pavla; Čejka, Jiří; Lucas, Tim C; Hriljac, Joseph A; Pinar, Ana B; Morris, Russell E

2016-09-28

The disordered intermediate of the ADORable zeolite UTL has been structurally confirmed using the pair distribution function (PDF) technique. The intermediate, IPC-1P, is a disordered layered compound formed by the hydrolysis of UTL in 0.1 M hydrochloric acid solution. Its structure is unsolvable by traditional X-ray diffraction techniques. The PDF technique was first benchmarked against high-quality synchrotron Rietveld refinements of IPC-2 (OKO) and IPC-4 (PCR) - two end products of IPC-1P condensation that share very similar structural features. An IPC-1P starting model derived from density functional theory was used for the PDF refinement, which yielded a final fit of Rw = 18% and a geometrically reasonable structure. This confirms the layers do stay intact throughout the ADOR process and shows PDF is a viable technique for layered zeolite structure determination.

Profex: a graphical user interface for the Rietveld refinement program BGMN.

PubMed

Doebelin, Nicola; Kleeberg, Reinhard

2015-10-01

Profex is a graphical user interface for the Rietveld refinement program BGMN . Its interface focuses on preserving BGMN 's powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems.

Molten Salt Synthesis and Structural Characterization of BaTiO3 Nanocrystal Ceramics

NASA Astrophysics Data System (ADS)

Ahda, S.; Misfadhila, S.; Parikin, P.; Putra, T. Y. S. P.

2017-02-01

A new synthesis route to obtain high-purity barium titanate powder, BaTiO3, using the molten salt method by reacting the raw materials (BaCO3 and TiO2) in an atmosphere of molten NaCl and KCl, has been developed. The synthesized BaTiO3 ceramic particles have been successfully carried out at the sintering temperature 950°C for 4 hours. The Rietveld refinement of the XRD diffraction patterns was employed to characterize the structural information of the nanocrystalline BaTiO3 ceramics. The lattice parameters (a=4.0043 Å, b=4.0308Å with space group P4mm) of tetragonal perovskite structure, as an indication of piezoelectric characteristics, have been successfully determined by the Rietveld refinement. While the crystallitte particle size and strains have been obtained for the values of 110.6 nm and 0.74 % respectively

Profex: a graphical user interface for the Rietveld refinement program BGMN

PubMed Central

Doebelin, Nicola; Kleeberg, Reinhard

2015-01-01

Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems. PMID:26500466

Status of BOUT fluid turbulence code: improvements and verification

NASA Astrophysics Data System (ADS)

Umansky, M. V.; Lodestro, L. L.; Xu, X. Q.

2006-10-01

BOUT is an electromagnetic fluid turbulence code for tokamak edge plasma [1]. BOUT performs time integration of reduced Braginskii plasma fluid equations, using spatial discretization in realistic geometry and employing a standard ODE integration package PVODE. BOUT has been applied to several tokamak experiments and in some cases calculated spectra of turbulent fluctuations compared favorably to experimental data. On the other hand, the desire to understand better the code results and to gain more confidence in it motivated investing effort in rigorous verification of BOUT. Parallel to the testing the code underwent substantial modification, mainly to improve its readability and tractability of physical terms, with some algorithmic improvements as well. In the verification process, a series of linear and nonlinear test problems was applied to BOUT, targeting different subgroups of physical terms. The tests include reproducing basic electrostatic and electromagnetic plasma modes in simplified geometry, axisymmetric benchmarks against the 2D edge code UEDGE in real divertor geometry, and neutral fluid benchmarks against the hydrodynamic code LCPFCT. After completion of the testing, the new version of the code is being applied to actual tokamak edge turbulence problems, and the results will be presented. [1] X. Q. Xu et al., Contr. Plas. Phys., 36,158 (1998). *Work performed for USDOE by Univ. Calif. LLNL under contract W-7405-ENG-48.

Development of high-fidelity multiphysics system for light water reactor analysis

NASA Astrophysics Data System (ADS)

Magedanz, Jeffrey W.

There has been a tendency in recent years toward greater heterogeneity in reactor cores, due to the use of mixed-oxide (MOX) fuel, burnable absorbers, and longer cycles with consequently higher fuel burnup. The resulting asymmetry of the neutron flux and energy spectrum between regions with different compositions causes a need to account for the directional dependence of the neutron flux, instead of the traditional diffusion approximation. Furthermore, the presence of both MOX and high-burnup fuel in the core increases the complexity of the heat conduction. The heat transfer properties of the fuel pellet change with irradiation, and the thermal and mechanical expansion of the pellet and cladding strongly affect the size of the gap between them, and its consequent thermal resistance. These operational tendencies require higher fidelity multi-physics modeling capabilities, and this need is addressed by the developments performed within this PhD research. The dissertation describes the development of a High-Fidelity Multi-Physics System for Light Water Reactor Analysis. It consists of three coupled codes -- CTF for Thermal Hydraulics, TORT-TD for Neutron Kinetics, and FRAPTRAN for Fuel Performance. It is meant to address these modeling challenges in three ways: (1) by resolving the state of the system at the level of each fuel pin, rather than homogenizing entire fuel assemblies, (2) by using the multi-group Discrete Ordinates method to account for the directional dependence of the neutron flux, and (3) by using a fuel-performance code, rather than a Thermal Hydraulics code's simplified fuel model, to account for the material behavior of the fuel and its feedback to the hydraulic and neutronic behavior of the system. While the first two are improvements, the third, the use of a fuel-performance code for feedback, constitutes an innovation in this PhD project. Also important to this work is the manner in which such coupling is written. While coupling involves combining codes into a single executable, they are usually still developed and maintained separately. It should thus be a design objective to minimize the changes to those codes, and keep the changes to each code free of dependence on the details of the other codes. This will ease the incorporation of new versions of the code into the coupling, as well as re-use of parts of the coupling to couple with different codes. In order to fulfill this objective, an interface for each code was created in the form of an object-oriented abstract data type. Object-oriented programming is an effective method for enforcing a separation between different parts of a program, and clarifying the communication between them. The interfaces enable the main program to control the codes in terms of high-level functionality. This differs from the established practice of a master/slave relationship, in which the slave code is incorporated into the master code as a set of subroutines. While this PhD research continues previous work with a coupling between CTF and TORT-TD, it makes two major original contributions: (1) using a fuel-performance code, instead of a thermal-hydraulics code's simplified built-in models, to model the feedback from the fuel rods, and (2) the design of an object-oriented interface as an innovative method to interact with a coupled code in a high-level, easily-understandable manner. The resulting code system will serve as a tool to study the question of under what conditions, and to what extent, these higher-fidelity methods will provide benefits to reactor core analysis. (Abstract shortened by UMI.)

GPU COMPUTING FOR PARTICLE TRACKING

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

Nishimura, Hiroshi; Song, Kai; Muriki, Krishna

2011-03-25

This is a feasibility study of using a modern Graphics Processing Unit (GPU) to parallelize the accelerator particle tracking code. To demonstrate the massive parallelization features provided by GPU computing, a simplified TracyGPU program is developed for dynamic aperture calculation. Performances, issues, and challenges from introducing GPU are also discussed. General purpose Computation on Graphics Processing Units (GPGPU) bring massive parallel computing capabilities to numerical calculation. However, the unique architecture of GPU requires a comprehensive understanding of the hardware and programming model to be able to well optimize existing applications. In the field of accelerator physics, the dynamic aperture calculationmore » of a storage ring, which is often the most time consuming part of the accelerator modeling and simulation, can benefit from GPU due to its embarrassingly parallel feature, which fits well with the GPU programming model. In this paper, we use the Tesla C2050 GPU which consists of 14 multi-processois (MP) with 32 cores on each MP, therefore a total of 448 cores, to host thousands ot threads dynamically. Thread is a logical execution unit of the program on GPU. In the GPU programming model, threads are grouped into a collection of blocks Within each block, multiple threads share the same code, and up to 48 KB of shared memory. Multiple thread blocks form a grid, which is executed as a GPU kernel. A simplified code that is a subset of Tracy++ [2] is developed to demonstrate the possibility of using GPU to speed up the dynamic aperture calculation by having each thread track a particle.« less

A fast analytical undulator model for realistic high-energy FEL simulations

NASA Astrophysics Data System (ADS)

Tatchyn, R.; Cremer, T.

1997-02-01

A number of leading FEL simulation codes used for modeling gain in the ultralong undulators required for SASE saturation in the <100 Å range employ simplified analytical models both for field and error representations. Although it is recognized that both the practical and theoretical validity of such codes could be enhanced by incorporating realistic undulator field calculations, the computational cost of doing this can be prohibitive, especially for point-to-point integration of the equations of motion through each undulator period. In this paper we describe a simple analytical model suitable for modeling realistic permanent magnet (PM), hybrid/PM, and non-PM undulator structures, and discuss selected techniques for minimizing computation time.

Tritium permeation model for plasma facing components

NASA Astrophysics Data System (ADS)

Longhurst, G. R.

1992-12-01

This report documents the development of a simplified one-dimensional tritium permeation and retention model. The model makes use of the same physical mechanisms as more sophisticated, time-transient codes such as implantation, recombination, diffusion, trapping and thermal gradient effects. It takes advantage of a number of simplifications and approximations to solve the steady-state problem and then provides interpolating functions to make estimates of intermediate states based on the steady-state solution. The model is developed for solution using commercial spread-sheet software such as Lotus 123. Comparison calculations are provided with the verified and validated TMAP4 transient code with good agreement. Results of calculations for the ITER CDA diverter are also included.

Ferroelectric performances and crystal structures of (Pb, La)(Zr, Ti, Nb)O{sub 3}

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

Kitamura, Naoto; Division of Ecosystem Research, Research Institute for Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510; Mizoguchi, Takuma

2014-02-15

In this study, we focused on Nb and La substituted Pb(Zr, Ti)O{sub 3}: i.e., (Pb, La)(Zr, Ti, Nb)O{sub 3}. As for the samples, dependences of ferroelectric properties on La and Nb compositions were examined. In addition, the crystal structures were analyzed by the Rietveld method, and then a relationship between the metal compositions and the crystal structures were discussed. From P–E hysteresis loop measurements, it was found that the remanant polarization of Pb(Zr, Ti)O{sub 3} was increased by both the La and Nb substitutions although the heavy substitution of La had an undesirable effect. It was also indicated that themore » Curie temperature decreased with increasing La content. The Rietveld analysis using synchrotron X-ray diffraction patterns demonstrated that the structure distortion was relaxed by the La and Nb substitutions. Such a change in the crystals was well consistent with the harmful effects on the Curie temperature and the remanent polarization by the heavy La substitution. - Graphical abstract: Rietveld refinement pattern of 2 mol% PbSiO{sub 3}-added Pb{sub 0.95}La{sub 0.05}Zr{sub 0.50}Ti{sub 0.45}Nb{sub 0.05}O{sub 3} (synchrotron X-ray diffraction). Display Omitted - Highlights: • (Pb,La)(Zr,Ti,Nb)O{sub 3} were successfully synthesized. • Remanant polarization of Pb(Zr,Ti)O{sub 3} was improved by substitutions of La and Nb. • Crystal structures of (Pb,La)(Zr,Ti,Nb)O{sub 3} were refined and the distortions were estimated.« less

Accuracy in Rietveld quantitative phase analysis: a comparative study of strictly monochromatic Mo and Cu radiations.

PubMed

León-Reina, L; García-Maté, M; Álvarez-Pinazo, G; Santacruz, I; Vallcorba, O; De la Torre, A G; Aranda, M A G

2016-06-01

This study reports 78 Rietveld quantitative phase analyses using Cu  K α 1 , Mo  K α 1 and synchrotron radiations. Synchrotron powder diffraction has been used to validate the most challenging analyses. From the results for three series with increasing contents of an analyte (an inorganic crystalline phase, an organic crystalline phase and a glass), it is inferred that Rietveld analyses from high-energy Mo  K α 1 radiation have slightly better accuracies than those obtained from Cu  K α 1 radiation. This behaviour has been established from the results of the calibration graphics obtained through the spiking method and also from Kullback-Leibler distance statistic studies. This outcome is explained, in spite of the lower diffraction power for Mo radiation when compared to Cu radiation, as arising because of the larger volume tested with Mo and also because higher energy allows one to record patterns with fewer systematic errors. The limit of detection (LoD) and limit of quantification (LoQ) have also been established for the studied series. For similar recording times, the LoDs in Cu patterns, ∼0.2 wt%, are slightly lower than those derived from Mo patterns, ∼0.3 wt%. The LoQ for a well crystallized inorganic phase using laboratory powder diffraction was established to be close to 0.10 wt% in stable fits with good precision. However, the accuracy of these analyses was poor with relative errors near to 100%. Only contents higher than 1.0 wt% yielded analyses with relative errors lower than 20%.

The embodied brain: towards a radical embodied cognitive neuroscience

PubMed Central

Kiverstein, Julian; Miller, Mark

2015-01-01

In this programmatic paper we explain why a radical embodied cognitive neuroscience is needed. We argue for such a claim based on problems that have arisen in cognitive neuroscience for the project of localizing function to specific brain structures. The problems come from research concerned with functional and structural connectivity that strongly suggests that the function a brain region serves is dynamic, and changes over time. We argue that in order to determine the function of a specific brain area, neuroscientists need to zoom out and look at the larger organism-environment system. We therefore argue that instead of looking to cognitive psychology for an analysis of psychological functions, cognitive neuroscience should look to an ecological dynamical psychology. A second aim of our paper is to develop an account of embodied cognition based on the inseparability of cognitive and emotional processing in the brain. We argue that emotions are best understood in terms of action readiness (Frijda, 1986, 2007) in the context of the organism’s ongoing skillful engagement with the environment (Rietveld, 2008; Bruineberg and Rietveld, 2014; Kiverstein and Rietveld, 2015, forthcoming). States of action readiness involve the whole living body of the organism, and are elicited by possibilities for action in the environment that matter to the organism. Since emotion and cognition are inseparable processes in the brain it follows that what is true of emotion is also true of cognition. Cognitive processes are likewise processes taking place in the whole living body of an organism as it engages with relevant possibilities for action. PMID:25999836

Microcode Verification Project.

DTIC Science & Technology

1980-05-01

numerical constant. The internal syntax for these minimum and maximum values is REALMIN and REALMAX. ISPSSIMP ISPSSIMP is the file simplifying bitstring...To be fair , it is quito clear that much of the ILbor Il tile verification task can be reduced If verification and. code development are carried out...basi.a of and the language we have chosen for both encoding our descriptions of machines and reasoning about the course of computations. Internally , our

Simplified APC for Space Shuttle applications. [Adaptive Predictive Coding for speech transmission

NASA Technical Reports Server (NTRS)

Hutchins, S. E.; Batson, B. H.

1975-01-01

This paper describes an 8 kbps adaptive predictive digital speech transmission system which was designed for potential use in the Space Shuttle Program. The system was designed to provide good voice quality in the presence of both cabin noise on board the Shuttle and the anticipated bursty channel. Minimal increase in size, weight, and power over the current high data rate system was also a design objective.

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

Jonathan Helmus, Scott Collis

The Python-ARM Radar Toolkit (Py-ART) is a collection of radar quality control and retrieval codes which all work on two unifying Python objects: the PyRadar and PyGrid objects. By building ingests to several popular radar formats and then abstracting the interface Py-ART greatly simplifies data processing over several other available utilities. In addition Py-ART makes use of Numpy arrays as its primary storage mechanism enabling use of existing and extensive community software tools.

Initial Implementation of Transient VERA-CS

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

Gerlach, Andrew; Kochunas, Brendan; Salko, Robert

In this milestone the capabilities of both CTF and MPACT were extended to perform coupled transient calculations. This required several small changes in MPACT to setup the problems correctly, perform the edits correctly, and call the appropriate CTF interfaces in the right order. For CTF, revisions and corrections to the transient timestepping algorithm were made, as well as the addition of a new interface subroutine to allow MPACT to drive CTF at each timestep. With the modifications completed, the initial coupled capability was demonstrated on some problems used for code verification, a hypothetical small mini-core, and a Watts Bar demonstrationmore » problem. For each of these cases the results showed good agreement with the previous MPACT internal TH feedback model that relied on a simplified fuel heat conduction model and simplified coolant treatment. After the pulse the results are notably different as expected, where the effects of convection of heat to the coolant can be observed. Areas for future work were discussed, including assessment and development of the CTF dynamic fuel deformation and gap conductance models, addition of suitable transient boiling and CHF models for the rapid heating and cooling rates seen in RIAs, additional validation and demonstration work, and areas for improvement to the code input and output capabilities.« less

An Evolving Worldview: Making Open Source Easy

NASA Technical Reports Server (NTRS)

Rice, Zachary

2017-01-01

NASA Worldview is an interactive interface for browsing full-resolution, global satellite imagery. Worldview supports an open data policy so that academia, private industries and the general public can use NASA's satellite data to address Earth science related issues. Worldview was open sourced in 2014. By shifting to an open source approach, the Worldview application has evolved to better serve end-users. Project developers are able to have discussions with end-users and community developers to understand issues and develop new features. New developers are able to track upcoming features, collaborate on them and make their own contributions. Getting new developers to contribute to the project has been one of the most important and difficult aspects of open sourcing Worldview. A focus has been made on making the installation of Worldview simple to reduce the initial learning curve and make contributing code easy. One way we have addressed this is through a simplified setup process. Our setup documentation includes a set of prerequisites and a set of straight forward commands to clone, configure, install and run. This presentation will emphasis our focus to simplify and standardize Worldview's open source code so more people are able to contribute. The more people who contribute, the better the application will become over time.

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

Clough, Katy; Figueras, Pau; Finkel, Hal

In this work, we introduce GRChombo: a new numerical relativity code which incorporates full adaptive mesh refinement (AMR) using block structured Berger-Rigoutsos grid generation. The code supports non-trivial 'many-boxes-in-many-boxes' mesh hierarchies and massive parallelism through the message passing interface. GRChombo evolves the Einstein equation using the standard BSSN formalism, with an option to turn on CCZ4 constraint damping if required. The AMR capability permits the study of a range of new physics which has previously been computationally infeasible in a full 3 + 1 setting, while also significantly simplifying the process of setting up the mesh for these problems. Wemore » show that GRChombo can stably and accurately evolve standard spacetimes such as binary black hole mergers and scalar collapses into black holes, demonstrate the performance characteristics of our code, and discuss various physics problems which stand to benefit from the AMR technique.« less

Development of Fuel Shuffling Module for PHISICS

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

Allan Mabe; Andrea Alfonsi; Cristian Rabiti

2013-06-01

PHISICS (Parallel and Highly Innovative Simulation for the INL Code System) [4] code toolkit has been in development at the Idaho National Laboratory. This package is intended to provide a modern analysis tool for reactor physics investigation. It is designed with the mindset to maximize accuracy for a given availability of computational resources and to give state of the art tools to the modern nuclear engineer. This is obtained by implementing several different algorithms and meshing approaches among which the user will be able to choose, in order to optimize his computational resources and accuracy needs. The software is completelymore » modular in order to simplify the independent development of modules by different teams and future maintenance. The package is coupled with the thermo-hydraulic code RELAP5-3D [3]. In the following the structure of the different PHISICS modules is briefly recalled, focusing on the new shuffling module (SHUFFLE), object of this paper.« less

A computer-aided design system geared toward conceptual design in a research environment. [for hypersonic vehicles

NASA Technical Reports Server (NTRS)

STACK S. H.

1981-01-01

A computer-aided design system has recently been developed specifically for the small research group environment. The system is implemented on a Prime 400 minicomputer linked with a CDC 6600 computer. The goal was to assign the minicomputer specific tasks, such as data input and graphics, thereby reserving the large mainframe computer for time-consuming analysis codes. The basic structure of the design system consists of GEMPAK, a computer code that generates detailed configuration geometry from a minimum of input; interface programs that reformat GEMPAK geometry for input to the analysis codes; and utility programs that simplify computer access and data interpretation. The working system has had a large positive impact on the quantity and quality of research performed by the originating group. This paper describes the system, the major factors that contributed to its particular form, and presents examples of its application.

Structural Code Considerations for Solar Rooftop Installations.

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

Dwyer, Stephen F.; Dwyer, Brian P.; Sanchez, Alfred

2014-12-01

Residential rooftop solar panel installations are limited in part by the high cost of structural related code requirements for field installation. Permitting solar installations is difficult because there is a belief among residential permitting authorities that typical residential rooftops may be structurally inadequate to support the additional load associated with a photovoltaic (PV) solar installation. Typical engineering methods utilized to calculate stresses on a roof structure involve simplifying assumptions that render a complex non-linear structure to a basic determinate beam. This method of analysis neglects the composite action of the entire roof structure, yielding a conservative analysis based on amore » rafter or top chord of a truss. Consequently, the analysis can result in an overly conservative structural analysis. A literature review was conducted to gain a better understanding of the conservative nature of the regulations and codes governing residential construction and the associated structural system calculations.« less

Enhancing the ABAQUS Thermomechanics Code to Simulate Steady and Transient Fuel Rod Behavior

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

R. L. Williamson; D. A. Knoll

2009-09-01

A powerful multidimensional fuels performance capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth , gap heat transfer, and gap/plenum gas behavior during irradiation. The various modeling capabilities are demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multi-pellet fuel rod, during both steady and transient operation. Computational results demonstrate the importancemore » of a multidimensional fully-coupled thermomechanics treatment. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermo-mechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

New technologies for advanced three-dimensional optimum shape design in aeronautics

NASA Astrophysics Data System (ADS)

Dervieux, Alain; Lanteri, Stéphane; Malé, Jean-Michel; Marco, Nathalie; Rostaing-Schmidt, Nicole; Stoufflet, Bruno

1999-05-01

The analysis of complex flows around realistic aircraft geometries is becoming more and more predictive. In order to obtain this result, the complexity of flow analysis codes has been constantly increasing, involving more refined fluid models and sophisticated numerical methods. These codes can only run on top computers, exhausting their memory and CPU capabilities. It is, therefore, difficult to introduce best analysis codes in a shape optimization loop: most previous works in the optimum shape design field used only simplified analysis codes. Moreover, as the most popular optimization methods are the gradient-based ones, the more complex the flow solver, the more difficult it is to compute the sensitivity code. However, emerging technologies are contributing to make such an ambitious project, of including a state-of-the-art flow analysis code into an optimisation loop, feasible. Among those technologies, there are three important issues that this paper wishes to address: shape parametrization, automated differentiation and parallel computing. Shape parametrization allows faster optimization by reducing the number of design variable; in this work, it relies on a hierarchical multilevel approach. The sensitivity code can be obtained using automated differentiation. The automated approach is based on software manipulation tools, which allow the differentiation to be quick and the resulting differentiated code to be rather fast and reliable. In addition, the parallel algorithms implemented in this work allow the resulting optimization software to run on increasingly larger geometries. Copyright

Multithreaded Model for Dynamic Load Balancing Parallel Adaptive PDE Computations

NASA Technical Reports Server (NTRS)

Chrisochoides, Nikos

1995-01-01

We present a multithreaded model for the dynamic load-balancing of numerical, adaptive computations required for the solution of Partial Differential Equations (PDE's) on multiprocessors. Multithreading is used as a means of exploring concurrency in the processor level in order to tolerate synchronization costs inherent to traditional (non-threaded) parallel adaptive PDE solvers. Our preliminary analysis for parallel, adaptive PDE solvers indicates that multithreading can be used an a mechanism to mask overheads required for the dynamic balancing of processor workloads with computations required for the actual numerical solution of the PDE's. Also, multithreading can simplify the implementation of dynamic load-balancing algorithms, a task that is very difficult for traditional data parallel adaptive PDE computations. Unfortunately, multithreading does not always simplify program complexity, often makes code re-usability not an easy task, and increases software complexity.

Pececillo

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

Carlson, Neil; Jibben, Zechariah; Brady, Peter

2017-06-28

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be moremore » easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.« less

A Comparison of Simplified Two-dimensional Flow Models Exemplified by Water Flow in a Cavern

NASA Astrophysics Data System (ADS)

Prybytak, Dzmitry; Zima, Piotr

2017-12-01

The paper shows the results of a comparison of simplified models describing a two-dimensional water flow in the example of a water flow through a straight channel sector with a cavern. The following models were tested: the two-dimensional potential flow model, the Stokes model and the Navier-Stokes model. In order to solve the first two, the boundary element method was employed, whereas to solve the Navier-Stokes equations, the open-source code library OpenFOAM was applied. The results of numerical solutions were compared with the results of measurements carried out on a test stand in a hydraulic laboratory. The measurements were taken with an ADV probe (Acoustic Doppler Velocimeter). Finally, differences between the results obtained from the mathematical models and the results of laboratory measurements were analysed.

Simplified Two-Time Step Method for Calculating Combustion and Emission Rates of Jet-A and Methane Fuel With and Without Water Injection

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

A simplified kinetic scheme for Jet-A, and methane fuels with water injection was developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) or even simple FORTRAN codes. The two time step method is either an initial time averaged value (step one) or an instantaneous value (step two). The switch is based on the water concentration in moles/cc of 1x10(exp -20). The results presented here results in a correlation that gives the chemical kinetic time as two separate functions. This two time step method is used as opposed to a one step time averaged method previously developed to determine the chemical kinetic time with increased accuracy. The first time averaged step is used at the initial times for smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, initial water to fuel mass ratio, temperature, and pressure. The second instantaneous step, to be used with higher water concentrations, gives the chemical kinetic time as a function of instantaneous fuel and water mole concentration, pressure and temperature (T4). The simple correlations would then be compared to the turbulent mixing times to determine the limiting rates of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide and NOx are obtained for Jet-A fuel and methane with and without water injection to water mass loadings of 2/1 water to fuel. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentrations of carbon monoxide and nitrogen oxide as functions of overall equivalence ratio, water to fuel mass ratio, pressure and temperature (T3). The temperature of the gas entering the turbine (T4) was also correlated as a function of the initial combustor temperature (T3), equivalence ratio, water to fuel mass ratio, and pressure.

Solar Wind Acceleration: Modeling Effects of Turbulent Heating in Open Flux Tubes

NASA Astrophysics Data System (ADS)

Woolsey, Lauren N.; Cranmer, Steven R.

2014-06-01

We present two self-consistent coronal heating models that determine the properties of the solar wind generated and accelerated in magnetic field geometries that are open to the heliosphere. These models require only the radial magnetic field profile as input. The first code, ZEPHYR (Cranmer et al. 2007) is a 1D MHD code that includes the effects of turbulent heating created by counter-propagating Alfven waves rather than relying on empirical heating functions. We present the analysis of a large grid of modeled flux tubes (> 400) and the resulting solar wind properties. From the models and results, we recreate the observed anti-correlation between wind speed at 1 AU and the so-called expansion factor, a parameterization of the magnetic field profile. We also find that our models follow the same observationally-derived relation between temperature at 1 AU and wind speed at 1 AU. We continue our analysis with a newly-developed code written in Python called TEMPEST (The Efficient Modified-Parker-Equation-Solving Tool) that runs an order of magnitude faster than ZEPHYR due to a set of simplifying relations between the input magnetic field profile and the temperature and wave reflection coefficient profiles. We present these simplifying relations as a useful result in themselves as well as the anti-correlation between wind speed and expansion factor also found with TEMPEST. Due to the nature of the algorithm TEMPEST utilizes to find solar wind solutions, we can effectively separate the two primary ways in which Alfven waves contribute to solar wind acceleration: 1) heating the surrounding gas through a turbulent cascade and 2) providing a separate source of wave pressure. We intend to make TEMPEST easily available to the public and suggest that TEMPEST can be used as a valuable tool in the forecasting of space weather, either as a stand-alone code or within an existing modeling framework.

'Are you siding with a personality or the grant proposal?': observations on how peer review panels function.

PubMed

Coveney, John; Herbert, Danielle L; Hill, Kathy; Mow, Karen E; Graves, Nicholas; Barnett, Adrian

2017-01-01

In Australia, the peer review process for competitive funding is usually conducted by a peer review group in conjunction with prior assessment from external assessors. This process is quite mysterious to those outside it. The purpose of this research was to throw light on grant review panels (sometimes called the 'black box') through an examination of the impact of panel procedures, panel composition and panel dynamics on the decision-making in the grant review process. A further purpose was to compare experience of a simplified review process with more conventional processes used in assessing grant proposals in Australia. This project was one aspect of a larger study into the costs and benefits of a simplified peer review process. The Queensland University of Technology (QUT)-simplified process was compared with the National Health and Medical Research Council's (NHMRC) more complex process. Grant review panellists involved in both processes were interviewed about their experience of the decision-making process that assesses the excellence of an application. All interviews were recorded and transcribed. Each transcription was de-identified and returned to the respondent for review. Final transcripts were read repeatedly and coded, and similar codes were amalgamated into categories that were used to build themes. Final themes were shared with the research team for feedback. Two major themes arose from the research: (1) assessing grant proposals and (2) factors influencing the fairness, integrity and objectivity of review. Issues such as the quality of writing in a grant proposal, comparison of the two review methods, the purpose and use of the rebuttal, assessing the financial value of funded projects, the importance of the experience of the panel membership and the role of track record and the impact of group dynamics on the review process were all discussed. The research also examined the influence of research culture on decision-making in grant review panels. One of the aims of this study was to compare a simplified review process with more conventional processes. Generally, participants were supportive of the simplified process. Transparency in the grant review process will result in better appreciation of the outcome. Despite the provision of clear guidelines for peer review, reviewing processes are likely to be subjective to the extent that different reviewers apply different rules. The peer review process will come under more scrutiny as funding for research becomes even more competitive. There is justification for further research on the process, especially of a kind that taps more deeply into the 'black box' of peer review.

ICD-10 procedure codes produce transition challenges

PubMed Central

Boyd, Andrew D.; Li, Jianrong ‘John’; Kenost, Colleen; Zaim, Samir Rachid; Krive, Jacob; Mittal, Manish; Satava, Richard A.; Burton, Michael; Smith, Jacob; Lussier, Yves A.

2018-01-01

The transition of procedure coding from ICD-9-CM-Vol-3 to ICD-10-PCS has generated problems for the medical community at large resulting from the lack of clarity required to integrate two non-congruent coding systems. We hypothesized that quantifying these issues with network topology analyses offers a better understanding of the issues, and therefore we developed solutions (online tools) to empower hospital administrators and researchers to address these challenges. Five topologies were identified: “identity”(I), “class-to-subclass”(C2S), “subclass-toclass”(S2C), “convoluted(C)”, and “no mapping”(NM). The procedure codes in the 2010 Illinois Medicaid dataset (3,290 patients, 116 institutions) were categorized as C=55%, C2S=40%, I=3%, NM=2%, and S2C=1%. Majority of the problematic and ambiguous mappings (convoluted) pertained to operations in ophthalmology cardiology, urology, gyneco-obstetrics, and dermatology. Finally, the algorithms were expanded into a user-friendly tool to identify problematic topologies and specify lists of procedural codes utilized by medical professionals and researchers for mitigating error-prone translations, simplifying research, and improving quality.http://www.lussiergroup.org/transition-to-ICD10PCS PMID:29888037

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN.

PubMed

Bahadori, Amir A; Sato, Tatsuhiko; Slaba, Tony C; Shavers, Mark R; Semones, Edward J; Van Baalen, Mary; Bolch, Wesley E

2013-10-21

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

A comparative study of space radiation organ doses and associated cancer risks using PHITS and HZETRN

NASA Astrophysics Data System (ADS)

Bahadori, Amir A.; Sato, Tatsuhiko; Slaba, Tony C.; Shavers, Mark R.; Semones, Edward J.; Van Baalen, Mary; Bolch, Wesley E.

2013-10-01

NASA currently uses one-dimensional deterministic transport to generate values of the organ dose equivalent needed to calculate stochastic radiation risk following crew space exposures. In this study, organ absorbed doses and dose equivalents are calculated for 50th percentile male and female astronaut phantoms using both the NASA High Charge and Energy Transport Code to perform one-dimensional deterministic transport and the Particle and Heavy Ion Transport Code System to perform three-dimensional Monte Carlo transport. Two measures of radiation risk, effective dose and risk of exposure-induced death (REID) are calculated using the organ dose equivalents resulting from the two methods of radiation transport. For the space radiation environments and simplified shielding configurations considered, small differences (<8%) in the effective dose and REID are found. However, for the galactic cosmic ray (GCR) boundary condition, compensating errors are observed, indicating that comparisons between the integral measurements of complex radiation environments and code calculations can be misleading. Code-to-code benchmarks allow for the comparison of differential quantities, such as secondary particle differential fluence, to provide insight into differences observed in integral quantities for particular components of the GCR spectrum.

Software for Better Documentation of Other Software

NASA Technical Reports Server (NTRS)

Pinedo, John

2003-01-01

The Literate Programming Extraction Engine is a Practical Extraction and Reporting Language- (PERL-)based computer program that facilitates and simplifies the implementation of a concept of self-documented literate programming in a fashion tailored to the typical needs of scientists. The advantage for the programmer is that documentation and source code are written side-by-side in the same file, reducing the likelihood that the documentation will be inconsistent with the code and improving the verification that the code performs its intended functions. The advantage for the user is the knowledge that the documentation matches the software because they come from the same file. This program unifies the documentation process for a variety of programming languages, including C, C++, and several versions of FORTRAN. This program can process the documentation in any markup language, and incorporates the LaTeX typesetting software. The program includes sample Makefile scripts for automating both the code-compilation (when appropriate) and documentation-generation processes into a single command-line statement. Also included are macro instructions for the Emacs display-editor software, making it easy for a programmer to toggle between editing in a code or a documentation mode.

MUFFSgenMC: An Open Source MUon Flexible Framework for Spectral GENeration for Monte Carlo Applications

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

Chatzidakis, Stylianos; Greulich, Christopher

A cosmic ray Muon Flexible Framework for Spectral GENeration for Monte Carlo Applications (MUFFSgenMC) has been developed to support state-of-the-art cosmic ray muon tomographic applications. The flexible framework allows for easy and fast creation of source terms for popular Monte Carlo applications like GEANT4 and MCNP. This code framework simplifies the process of simulations used for cosmic ray muon tomography.

The TRIGA Reactor Facility at the Armed Forces Radiobiology Research Institute: A Simplified Technical Description.

DTIC Science & Technology

1986-05-01

COUNT Technical FROM_ TO May 1986 20 16. SUPPLEMENTARY NOTATION 17. COSATI CODES 18. SUBJECT TERMS iConitinue on reverse if neceasary and identify by...Reactor, Modes of Operation, The AFRRI Reactor, Exposure Facilities, and Cerenkov Radiation. I- 20 DISTRISUTIONIAVAILABILITY OF ABSTRACT 21. ABSTRACT...6 Exposure Facilities 12 Cerenkov Radiation 17 Acoessiofl For NTIS GRA&I DT.C TABUnamnnounced [] UusnriOfltond -. By IZ Distribution/ Availability

RRTMGP: A High-Performance Broadband Radiation Code for the Next Decade

DTIC Science & Technology

2015-09-30

NOAA ), Robin Hogan (ECMWF), a number of colleagues at the Max-Planck Institute, and Will Sawyer and Marcus Wetzstein (Swiss Supercomputer Center...somewhat out of date, so that the accuracy of our simplified algorithms can not be thoroughly evaluated. RRTMGP_LW_v0 has been provided to our NASA ...support, RRTMGP_LW_v0, has been completed and distributed to selected colleagues at modeling centers, including NOAA , NCAR, and CSCS. Our colleagues

Agroforestry: mapping the way with GIS

Treesearch

Gary Bentrup; Tim Leininger

2002-01-01

Agroforestry combines agriculture and forestry technologies to create diverse, profitable, and sustainable land-use systems (Rietveld, 1995). Agroforestry practices include alley cropping, forest farming, riparian forest buffers, silvopasture, and windbreaks-each of which meets environmental, social, and economic needs (Gold et al., 2000). Environmentally, agroforestry...

PoMiN: A Post-Minkowskian N-body Solver

NASA Astrophysics Data System (ADS)

Feng, Justin; Baumann, Mark; Hall, Bryton; Doss, Joel; Spencer, Lucas; Matzner, Richard

2018-06-01

In this paper, we introduce PoMiN, a lightweight N-body code based on the post-Minkowskian N-body Hamiltonian of Ledvinka et al., which includes general relativistic effects up to first order in Newton’s constant G, and all orders in the speed of light c. PoMiN is written in C and uses a fourth-order Runge–Kutta integration scheme. PoMiN has also been written to handle an arbitrary number of particles (both massive and massless), with a computational complexity that scales as O(N 2). We describe the methods we used to simplify and organize the Hamiltonian, and the tests we performed (convergence, conservation, and analytical comparison tests) to validate the code.

TNSPackage: A Fortran2003 library designed for tensor network state methods

NASA Astrophysics Data System (ADS)

Dong, Shao-Jun; Liu, Wen-Yuan; Wang, Chao; Han, Yongjian; Guo, G.-C.; He, Lixin

2018-07-01

Recently, the tensor network states (TNS) methods have proven to be very powerful tools to investigate the strongly correlated many-particle physics in one and two dimensions. The implementation of TNS methods depends heavily on the operations of tensors, including contraction, permutation, reshaping tensors, SVD and so on. Unfortunately, the most popular computer languages for scientific computation, such as Fortran and C/C++ do not have a standard library for such operations, and therefore make the coding of TNS very tedious. We develop a Fortran2003 package that includes all kinds of basic tensor operations designed for TNS. It is user-friendly and flexible for different forms of TNS, and therefore greatly simplifies the coding work for the TNS methods.

Analysis and Description of HOLTIN Service Provision for AECG monitoring in Complex Indoor Environments

PubMed Central

Led, Santiago; Azpilicueta, Leire; Aguirre, Erik; de Espronceda, Miguel Martínez; Serrano, Luis; Falcone, Francisco

2013-01-01

In this work, a novel ambulatory ECG monitoring device developed in-house called HOLTIN is analyzed when operating in complex indoor scenarios. The HOLTIN system is described, from the technological platform level to its functional model. In addition, by using in-house 3D ray launching simulation code, the wireless channel behavior, which enables ubiquitous operation, is performed. The effect of human body presence is taken into account by a novel simplified model embedded within the 3D Ray Launching code. Simulation as well as measurement results are presented, showing good agreement. These results may aid in the adequate deployment of this novel device to automate conventional medical processes, increasing the coverage radius and optimizing energy consumption. PMID:23584122

Automatic detection of white-light flare kernels in SDO/HMI intensitygrams

NASA Astrophysics Data System (ADS)

Mravcová, Lucia; Švanda, Michal

2017-11-01

Solar flares with a broadband emission in the white-light range of the electromagnetic spectrum belong to most enigmatic phenomena on the Sun. The origin of the white-light emission is not entirely understood. We aim to systematically study the visible-light emission connected to solar flares in SDO/HMI observations. We developed a code for automatic detection of kernels of flares with HMI intensity brightenings and study properties of detected candidates. The code was tuned and tested and with a little effort, it could be applied to any suitable data set. By studying a few flare examples, we found indication that HMI intensity brightening might be an artefact of the simplified procedure used to compute HMI observables.

Synthesis, structure refinement and chromate sorption characteristics of an Al-rich bayerite-based layered double hydroxide

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

Britto, Sylvia, E-mail: sylviabritto11@gmail.com; Kamath, P. Vishnu

2014-07-01

“Imbibition” of Zn{sup 2+} ions into the cation vacancies of bayerite–Al(OH){sub 3} and NO{sub 3}{sup −} ions into the interlayer gallery yields an Al-rich layered double hydroxide with Al/Zn ratio ∼3. NO{sub 3}{sup −} ions are intercalated with their molecular planes inclined at an angle to the plane of the metal hydroxide slab and bonded to it by hydrogen bonds. Rietveld refinement of the structure shows that the monoclinic symmetry of the precursor bayerite is preserved in the product, showing that the imbibition is topochemical in nature. The nitrate ion is labile and is quantitatively replaced by CrO{sub 4}{sup 2−}more » ions from solution. The uptake of CrO{sub 4}{sup 2−} ions follows a Langmuir adsorption isotherm, thus showing that the hydroxide is a candidate material for green chemistry applications for the removal of CrO{sub 4}{sup 2−} ions from waste water. Rietveld refinement of the structure of the hydroxide after CrO{sub 4}{sup 2−} inclusion reveals that the CrO{sub 4}{sup 2−} ion is intercalated with one of its 2-fold axes parallel to the b-crystallographic axis of the crystal, also the principal 2 axis of the monoclinic cell. - Graphical abstract: The structure of the [Zn–Al4-nitrate] LDH viewed along the a-axis. - Highlights: • Synthesis of Al-rich layered double hydroxide with Al/Zn ratio ∼3. • Rietveld refinement indicates that the imbibition of Zn into Al(OH){sub 3} is topochemical in nature. • The uptake of CrO{sub 4}{sup 2−} ions follows a Langmuir adsorption isotherm.« less

Combining 27Al Solid-State NMR and First-Principles Simulations To Explore Crystal Structure in Disordered Aluminum Oxynitride.

PubMed

Tu, Bingtian; Liu, Xin; Wang, Hao; Wang, Weimin; Zhai, Pengcheng; Fu, Zhengyi

2016-12-19

The nuclear magnetic resonance (NMR) technique gives insight into the local information in a crystal structure, while Rietveld refinement of powder X-ray diffraction (PXRD) sketches out the framework of a crystal lattice. In this work, first-principles calculations were combined with the solid-state NMR technique and Rietveld refinement to explore the crystal structure of a disordered aluminum oxynitride (γ-alon). The theoretical NMR parameters (chemical shift, δ iso , quadrupolar coupling constants, C Q , and asymmetry parameter, η) of Al 22.5 O 28.5 N 3.5 , predicted by the gauge-including projector augmented wave (GIPAW) algorithm, were used to facilitate the analytical investigation of the 27 Al magic-angle spinning (MAS) NMR spectra of the as-prepared sample, whose formula was confirmed to be Al 2.811 O 3.565 N 0.435 by quantitative analysis. The experimental δ iso , C Q , and η of 27 Al showed a small discrepancy compared with theoretical models. The ratio of aluminum located at the 8a to 16d sites was calculated to be 0.531 from the relative integration of peaks in the 27 Al NMR spectra. The occupancies of aluminum at the 8a and 16d positions were determined through NMR investigations to be 0.9755 and 0.9178, respectively, and were used in the Rietveld refinement to obtain the lattice parameter and anion parameter of Al 2.811 O 3.565 N 0.435 . The results from 27 Al NMR investigations and PXRD structural refinement complemented each other. This work provides a powerful and accessible strategy to precisely understand the crystal structure of novel oxynitride materials with multiple disorder.

Fast and Flexible Successive-Cancellation List Decoders for Polar Codes

NASA Astrophysics Data System (ADS)

Hashemi, Seyyed Ali; Condo, Carlo; Gross, Warren J.

2017-11-01

Polar codes have gained significant amount of attention during the past few years and have been selected as a coding scheme for the next generation of mobile broadband standard. Among decoding schemes, successive-cancellation list (SCL) decoding provides a reasonable trade-off between the error-correction performance and hardware implementation complexity when used to decode polar codes, at the cost of limited throughput. The simplified SCL (SSCL) and its extension SSCL-SPC increase the speed of decoding by removing redundant calculations when encountering particular information and frozen bit patterns (rate one and single parity check codes), while keeping the error-correction performance unaltered. In this paper, we improve SSCL and SSCL-SPC by proving that the list size imposes a specific number of bit estimations required to decode rate one and single parity check codes. Thus, the number of estimations can be limited while guaranteeing exactly the same error-correction performance as if all bits of the code were estimated. We call the new decoding algorithms Fast-SSCL and Fast-SSCL-SPC. Moreover, we show that the number of bit estimations in a practical application can be tuned to achieve desirable speed, while keeping the error-correction performance almost unchanged. Hardware architectures implementing both algorithms are then described and implemented: it is shown that our design can achieve 1.86 Gb/s throughput, higher than the best state-of-the-art decoders.

Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering.

PubMed

Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

2016-10-24

Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence.

Reduced Equations for Calculating the Combustion Rates of Jet-A and Methane Fuel

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2003-01-01

Simplified kinetic schemes for Jet-A and methane fuels were developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) that is being developed at Glenn. These kinetic schemes presented here result in a correlation that gives the chemical kinetic time as a function of initial overall cell fuel/air ratio, pressure, and temperature. The correlations would then be used with the turbulent mixing times to determine the limiting properties and progress of the reaction. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentration of carbon monoxide as a function of fuel air ratio, pressure, and temperature. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates and the values obtained from the equilibrium correlations were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide, and NOx were obtained for both Jet-A fuel and methane.

Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering

PubMed Central

Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

2016-01-01

Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence. PMID:27775064

The design of dual-mode complex signal processors based on quadratic modular number codes

NASA Astrophysics Data System (ADS)

Jenkins, W. K.; Krogmeier, J. V.

1987-04-01

It has been known for a long time that quadratic modular number codes admit an unusual representation of complex numbers which leads to complete decoupling of the real and imaginary channels, thereby simplifying complex multiplication and providing error isolation between the real and imaginary channels. This paper first presents a tutorial review of the theory behind the different types of complex modular rings (fields) that result from particular parameter selections, and then presents a theory for a 'dual-mode' complex signal processor based on the choice of augmented power-of-2 moduli. It is shown how a diminished-1 binary code, used by previous designers for the realization of Fermat number transforms, also leads to efficient realizations for dual-mode complex arithmetic for certain augmented power-of-2 moduli. Then a design is presented for a recursive complex filter based on a ROM/ACCUMULATOR architecture and realized in an augmented power-of-2 quadratic code, and a computer-generated example of a complex recursive filter is shown to illustrate the principles of the theory.

Prevalence of transcription promoters within archaeal operons and coding sequences

PubMed Central

Koide, Tie; Reiss, David J; Bare, J Christopher; Pang, Wyming Lee; Facciotti, Marc T; Schmid, Amy K; Pan, Min; Marzolf, Bruz; Van, Phu T; Lo, Fang-Yin; Pratap, Abhishek; Deutsch, Eric W; Peterson, Amelia; Martin, Dan; Baliga, Nitin S

2009-01-01

Despite the knowledge of complex prokaryotic-transcription mechanisms, generalized rules, such as the simplified organization of genes into operons with well-defined promoters and terminators, have had a significant role in systems analysis of regulatory logic in both bacteria and archaea. Here, we have investigated the prevalence of alternate regulatory mechanisms through genome-wide characterization of transcript structures of ∼64% of all genes, including putative non-coding RNAs in Halobacterium salinarum NRC-1. Our integrative analysis of transcriptome dynamics and protein–DNA interaction data sets showed widespread environment-dependent modulation of operon architectures, transcription initiation and termination inside coding sequences, and extensive overlap in 3′ ends of transcripts for many convergently transcribed genes. A significant fraction of these alternate transcriptional events correlate to binding locations of 11 transcription factors and regulators (TFs) inside operons and annotated genes—events usually considered spurious or non-functional. Using experimental validation, we illustrate the prevalence of overlapping genomic signals in archaeal transcription, casting doubt on the general perception of rigid boundaries between coding sequences and regulatory elements. PMID:19536208

Prevalence of transcription promoters within archaeal operons and coding sequences.

PubMed

Koide, Tie; Reiss, David J; Bare, J Christopher; Pang, Wyming Lee; Facciotti, Marc T; Schmid, Amy K; Pan, Min; Marzolf, Bruz; Van, Phu T; Lo, Fang-Yin; Pratap, Abhishek; Deutsch, Eric W; Peterson, Amelia; Martin, Dan; Baliga, Nitin S

2009-01-01

Despite the knowledge of complex prokaryotic-transcription mechanisms, generalized rules, such as the simplified organization of genes into operons with well-defined promoters and terminators, have had a significant role in systems analysis of regulatory logic in both bacteria and archaea. Here, we have investigated the prevalence of alternate regulatory mechanisms through genome-wide characterization of transcript structures of approximately 64% of all genes, including putative non-coding RNAs in Halobacterium salinarum NRC-1. Our integrative analysis of transcriptome dynamics and protein-DNA interaction data sets showed widespread environment-dependent modulation of operon architectures, transcription initiation and termination inside coding sequences, and extensive overlap in 3' ends of transcripts for many convergently transcribed genes. A significant fraction of these alternate transcriptional events correlate to binding locations of 11 transcription factors and regulators (TFs) inside operons and annotated genes-events usually considered spurious or non-functional. Using experimental validation, we illustrate the prevalence of overlapping genomic signals in archaeal transcription, casting doubt on the general perception of rigid boundaries between coding sequences and regulatory elements.

The Sensitivity of Coded Mask Telescopes

NASA Technical Reports Server (NTRS)

Skinner, Gerald K.

2008-01-01

Simple formulae are often used to estimate the sensitivity of coded mask X-ray or gamma-ray telescopes, but t,hese are strictly only applicable if a number of basic assumptions are met. Complications arise, for example, if a grid structure is used to support the mask elements, if the detector spatial resolution is not good enough to completely resolve all the detail in the shadow of the mask or if any of a number of other simplifying conditions are not fulfilled. We derive more general expressions for the Poisson-noise-limited sensitivity of astronomical telescopes using the coded mask technique, noting explicitly in what circumstances they are applicable. The emphasis is on using nomenclature and techniques that result in simple and revealing results. Where no convenient expression is available a procedure is given which allows the calculation of the sensitivity. We consider certain aspects of the optimisation of the design of a coded mask telescope and show that when the detector spatial resolution and the mask to detector separation are fixed, the best source location accuracy is obtained when the mask elements are equal in size to the detector pixels.

New schemes for internally contracted multi-reference configuration interaction

NASA Astrophysics Data System (ADS)

Wang, Yubin; Han, Huixian; Lei, Yibo; Suo, Bingbing; Zhu, Haiyan; Song, Qi; Wen, Zhenyi

2014-10-01

In this work we present a new internally contracted multi-reference configuration interaction (MRCI) scheme by applying the graphical unitary group approach and the hole-particle symmetry. The latter allows a Distinct Row Table (DRT) to split into a number of sub-DRTs in the active space. In the new scheme a contraction is defined as a linear combination of arcs within a sub-DRT, and connected to the head and tail of the DRT through up-steps and down-steps to generate internally contracted configuration functions. The new scheme deals with the closed-shell (hole) orbitals and external orbitals in the same manner and thus greatly simplifies calculations of coupling coefficients and CI matrix elements. As a result, the number of internal orbitals is no longer a bottleneck of MRCI calculations. The validity and efficiency of the new ic-MRCI code are tested by comparing with the corresponding WK code of the MOLPRO package. The energies obtained from the two codes are essentially identical, and the computational efficiencies of the two codes have their own advantages.

Implementation of algebraic stress models in a general 3-D Navier-Stokes method (PAB3D)

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.

1995-01-01

A three-dimensional multiblock Navier-Stokes code, PAB3D, which was developed for propulsion integration and general aerodynamic analysis, has been used extensively by NASA Langley and other organizations to perform both internal (exhaust) and external flow analysis of complex aircraft configurations. This code was designed to solve the simplified Reynolds Averaged Navier-Stokes equations. A two-equation k-epsilon turbulence model has been used with considerable success, especially for attached flows. Accurate predicting of transonic shock wave location and pressure recovery in separated flow regions has been more difficult. Two algebraic Reynolds stress models (ASM) have been recently implemented in the code that greatly improved the code's ability to predict these difficult flow conditions. Good agreement with Direct Numerical Simulation (DNS) for a subsonic flat plate was achieved with ASM's developed by Shih, Zhu, and Lumley and Gatski and Speziale. Good predictions were also achieved at subsonic and transonic Mach numbers for shock location and trailing edge boattail pressure recovery on a single-engine afterbody/nozzle model.

Current and anticipated uses of the thermal hydraulics codes at the NRC

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

Caruso, R.

1997-07-01

The focus of Thermal-Hydraulic computer code usage in nuclear regulatory organizations has undergone a considerable shift since the codes were originally conceived. Less work is being done in the area of {open_quotes}Design Basis Accidents,{close_quotes}, and much more emphasis is being placed on analysis of operational events, probabalistic risk/safety assessment, and maintenance practices. All of these areas need support from Thermal-Hydraulic computer codes to model the behavior of plant fluid systems, and they all need the ability to perform large numbers of analyses quickly. It is therefore important for the T/H codes of the future to be able to support thesemore » needs, by providing robust, easy-to-use, tools that produce easy-to understand results for a wider community of nuclear professionals. These tools need to take advantage of the great advances that have occurred recently in computer software, by providing users with graphical user interfaces for both input and output. In addition, reduced costs of computer memory and other hardware have removed the need for excessively complex data structures and numerical schemes, which make the codes more difficult and expensive to modify, maintain, and debug, and which increase problem run-times. Future versions of the T/H codes should also be structured in a modular fashion, to allow for the easy incorporation of new correlations, models, or features, and to simplify maintenance and testing. Finally, it is important that future T/H code developers work closely with the code user community, to ensure that the code meet the needs of those users.« less

Optimized and secure technique for multiplexing QR code images of single characters: application to noiseless messages retrieval

NASA Astrophysics Data System (ADS)

Trejos, Sorayda; Fredy Barrera, John; Torroba, Roberto

2015-08-01

We present for the first time an optical encrypting-decrypting protocol for recovering messages without speckle noise. This is a digital holographic technique using a 2f scheme to process QR codes entries. In the procedure, letters used to compose eventual messages are individually converted into a QR code, and then each QR code is divided into portions. Through a holographic technique, we store each processed portion. After filtering and repositioning, we add all processed data to create a single pack, thus simplifying the handling and recovery of multiple QR code images, representing the first multiplexing procedure applied to processed QR codes. All QR codes are recovered in a single step and in the same plane, showing neither cross-talk nor noise problems as in other methods. Experiments have been conducted using an interferometric configuration and comparisons between unprocessed and recovered QR codes have been performed, showing differences between them due to the involved processing. Recovered QR codes can be successfully scanned, thanks to their noise tolerance. Finally, the appropriate sequence in the scanning of the recovered QR codes brings a noiseless retrieved message. Additionally, to procure maximum security, the multiplexed pack could be multiplied by a digital diffuser as to encrypt it. The encrypted pack is easily decoded by multiplying the multiplexing with the complex conjugate of the diffuser. As it is a digital operation, no noise is added. Therefore, this technique is threefold robust, involving multiplexing, encryption, and the need of a sequence to retrieve the outcome.

Decoupling of superposed textures in an electrically biased piezoceramic with a 100 preferred orientation

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

Fancher, Chris M.; Blendell, John E.; Bowman, Keith J.

2017-02-07

A method leveraging Rietveld full-pattern texture analysis to decouple induced domain texture from a preferred grain orientation is presented in this paper. The proposed method is demonstrated by determining the induced domain texture in a polar polymorph of 100 oriented 0.91Bi 1/2Na 1/2TiO 3-0.07BaTiO 3-0.02K 0.5Na 0.5NbO 3. Domain textures determined using the present method are compared with results obtained via single peak fitting. Texture determined using single peak fitting estimated more domain alignment than that determined using the Rietveld based method. These results suggest that the combination of grain texture and phase transitions can lead to single peak fittingmore » under or over estimating domain texture. Finally, while demonstrated for a bulk piezoelectric, the proposed method can be applied to quantify domain textures in multi-component systems and thin films.« less

X-ray Diffraction and Rietveld Refinement in Deferrified Clays for Forensic Science.

PubMed

Prandel, Luis V; Melo, Vander de F; Brinatti, André M; Saab, Sérgio da C; Salvador, Fábio A S

2018-01-01

Soil vestiges might provide information about a crime scene. The Rietveld method with X-ray diffraction data (RM-XRD) is a nondestructive technique that makes it possible to characterize minerals present in the soils. Soil clays from the metropolitan region of Curitiba (Brazil) were submitted to DCB treatment and analyzed using XRD with CuK α radiation in the step-scan mode (0.02° 2θ/5 s). The GSAS+EXPGUI software was used for RM refinement. The RM-XRD results, together with the principal component analysis (PCA) (52.6% total variance), showed the kaolinite predominance in most analyzed samples and the highest quartz contents in "site 1." Higher anatase, and gibbsite and muscovite contents influenced discrimination, mainly in "site 3" and "site 1," respectively. These results were enough to discriminate clays of four sites and two horizons using a reduced amount of sample showing that the technique can be applied to the investigation into soil vestiges. © 2017 American Academy of Forensic Sciences.

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

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

Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp

2016-07-27

Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorptionmore » edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.« less

Crystal phase analysis of SnO{sub 2}-based varistor ceramic using the Rietveld method

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

Moreira, M.L.; Pianaro, S.A.; Andrade, A.V.C.

2006-09-15

A second addition of l mol% of CoO to a pre calcined SnO{sub 2}-based ceramic doped with 1.0 mol% of CoO, 0.05 mol% of Nb{sub 2}O{sub 5} and 0.05 mol% of Cr{sub 2}O{sub 3} promotes the appearance of a secondary phase, Co{sub 2}SnO{sub 4}, besides the SnO{sub 2} cassiterite phase, when the ceramic was sintered at 1350 deg. C/2 h. This was observed using X-ray powder diffraction, scanning electron microscopy and energy dispersive X-ray techniques. Rietveld refinement was carried out to quantify the phases present in the ceramic system. The results of the quantitative analysis were 97 wt.% SnO{sub 2}more » and 3 wt.% Co{sub 2}SnO{sub 4}. The microstructural analysis showed that a certain amount of cobalt ion remains into cassiterite grains.« less

ZrO2:Sm3+ nanophosphor: synthesis, Rietveld refinement, optical and thermoluminescent properties

NASA Astrophysics Data System (ADS)

Ponkumar, S.; Janaki, K.; Prakashbabu, D.; Ramalingam, H. B.; Munirathnam, K.; Sreekanth, T. V. M.; Dhoble, S. J.

2018-02-01

We have synthesized undoped and Sm3+ ions doped ZrO2 nanophosphors by solution combustion method. These nanophosphors crystallized in cubic structure. Rietveld refinement of the samples was performed to estimate lattice parameters. Spherical particles with the sizes of 10-25 nm were observed by transmission electron microscopy. Photoluminescence and thermoluminescence (TL) properties of samples were investigated. Under 400 nm excitation, the nanophosphors have intense red emission at 600 nm. The color coordinates (0.67, 0.33) were located in the red region of CIE diagram. TL properties of nanophosphors were studied by exposing the samples to γ-rays. 5 mol% Sm3+ doped ZrO2 nanophosphor has shown maximum TL intensity after γ-irradiation. To test suitability of the nanophosphors for practical application in dosimetry, the 5 mol% Sm3+ doped ZrO2 sample was irradiated by 14 MeV electron beam in various electron fluence ranging from 100 to 900 Gy and their TL response was recorded.

Synthesis, structure and magnetic properties of Sr{sub 2}Fe{sub 1-x}Ga{sub x}MoO{sub 6} (0 {<=} x {<=} 0.6) double perovskites

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

Azad, Abul K., E-mail: aka7@st-andrews.ac.uk; Khan, Abdullah; Eriksson, Sten-G.

2009-12-15

Polycrystalline Sr{sub 2}Fe{sub 1-x}Ga{sub x}MoO{sub 6} (0 {<=} x {<=} 0.6) materials have been synthesized by solid state reaction method and studied by neutron powder diffraction (NPD) and magnetization measurements. Rietveld analysis of the temperature dependent NPD data shows that the compounds crystallize in the tetragonal symmetry in the space group I4/m. The anti-site (AS) defects concentration increases with Ga doping, giving rise to highly B-site disordered materials. Ga doping at the Fe-site decreases the cell volume. The evolution of bond lengths and the cation oxidation states was determined from the Rietveld refinement data. The saturation magnetization and Curie temperaturemore » decreased with the increasing Ga content in the samples. Low temperature neutron diffraction data analysis and magnetization measurements confirm the magnetic interaction as ferrimagnetic in the sample.« less

Cation distribution of Ni-Zn-Mn ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Parvatheeswara Rao, B.; Dhanalakshmi, B.; Ramesh, S.; Subba Rao, P. S. V.

2018-06-01

Mn substituted Ni-Zn ferrite nanoparticles, Ni0.4Zn0.6-xMnxFe2O4 (x = 0.00-0.25 in steps of 0.05), using metal nitrates were prepared by sol-gel autocombustion in citric acid matrix. The samples were examined by X-ray diffraction and vibrating sample magnetometer techniques. Rietveld structural refinements using the XRD data were performed on the samples to consolidate various structural parameters like phase (spinel), crystallite size (24.86-37.43 nm), lattice constant (8.3764-8.4089 Å) etc and also to determine cation distributions based on profile matching and integrated intensity ratios. Saturation magnetization values (37.18-68.40 emu/g) were extracted from the measured M-H loops of these nanoparticles to estimate their magnetic moments. Experimental and calculated magnetic moments and lattice constants were used to confirm the derived cation distributions from Rietveld analysis. The results of these ferrite nanoparticles are discussed in terms of the compositional modifications, particle sizes and the corresponding cation distributions as a result of Mn substitutions.

Simplified numerical approach for estimation of effective segregation coefficient at the melt/crystal interface

NASA Astrophysics Data System (ADS)

Prostomolotov, A. I.; Verezub, N. A.; Voloshin, A. E.

2014-09-01

A thermo-gravitational convection and impurity transfer in the melt were investigated using a simplified numerical model for Bridgman GaSb(Te) crystal growth in microgravity conditions. Simplifications were as follows: flat melt/crystal interface, fixed melt sizes and only lateral ampoule heating. Calculations were carried out by Ansys®Fluent® code employing a two-dimensional Navier-Stokes-Boussinesq and heat and mass transfer equations in a coordinate system moving with the melt/crystal interface. The parametric dependence of the effective segregation coefficient Keff at the melt/crystal interface was studied for various ampoule sizes and for microgravity conditions. For the uprising one-vortex flow, the resulting dependences were presented as Keff vs. Vmax-the maximum velocity value. These dependences were compared with the formulas by Burton-Prim-Slichter's, Ostrogorsky-Muller's, as well as with the semi-analytical solutions.

JET DT Scenario Extrapolation and Optimization with METIS

NASA Astrophysics Data System (ADS)

Urban, Jakub; Jaulmes, Fabien; Artaud, Jean-Francois

2017-10-01

Prospective JET (Joint European Torus) DT operation scenarios are modelled by the fast integrated code METIS. METIS combines scaling laws, e.g. for global and pedestal energy or density peaking, with simplified transport and source models, while retaining fundamental nonlinear couplings, in particular in the fusion power. We have tuned METIS parameters to match JET-ILW high performance experiments, including baseline and hybrid. Based on recent observations, we assume a weaker input power scaling than IPB98 and a 10% confinement improvement due to the higher ion mass. The rapidity of METIS is utilized to scan the performance of JET DT scenarios with respect to fundamental parameters, such as plasma current, magnetic field, density or heating power. Simplified, easily parameterized waveforms are used to study the effect the ramp-up speed or heating timing. Finally, an efficient Bayesian optimizer is employed to seek the most performant scenarios in terms of the fusion power or gain.

Algorithms for Zonal Methods and Development of Three Dimensional Mesh Generation Procedures.

DTIC Science & Technology

1984-02-01

a r-re complete set of equations is used, but their effect is imposed by means of a right hand side forcing function, not by means of a zonal boundary...modifications of flow-simulation algorithms The explicit finite-difference code of Magnus and are discussed. Computational tests in two dimensions...used to simplify the task of grid generation without an adverse achieve computational efficiency. More recently, effect on flow-field algorithms and

Preparation and Presentation of Digital Maps in Raster Format

USGS Publications Warehouse

Edwards, K.; Batson, R.M.

1980-01-01

A set of algorithms has been developed at USGS Flagstaff for displaying digital map data in raster format. The set includes: FILLIN, which assigns a specified attribute code to units of a map which have been outlined on a digitizer and converted to raster format; FILBND, which removes the outlines; ZIP, which adds patterns to the map units; and COLOR, which provides a simplified process for creating color separation plates for either photographic or lithographic reproduction. - Authors

Status Report On Preparation of a Revised Longwave Communication Link Vulnerability Code.

DTIC Science & Technology

1981-10-01

Gallery or Earth-Detached) .J.J Cc) ONE ) E BOVTH ANDENA O EVOUDATENN (EE-G GE d.𔄀, (c) O (d) BOVTHbAD GROUND ANTENN (-G - Figre3.Ilusrain te osibl snge...shows simplified flow diagrams for the ionization models re- quired for LOS and ionospheric dependent propagation calculations. The time loop could be...placed outside the path loop for ionospheric dependent propagation but this requires considerable storage in order to perform nonequilibrium ionization

Aligning HST Images to Gaia: A Faster Mosaicking Workflow

NASA Astrophysics Data System (ADS)

Bajaj, V.

2017-11-01

We present a fully programmatic workflow for aligning HST images using the high-quality astrometry provided by Gaia Data Release 1. Code provided in a Jupyter Notebook works through this procedure, including parsing the data to determine the query area parameters, querying Gaia for the coordinate catalog, and using the catalog with TweakReg as reference catalog. This workflow greatly simplifies the normally time-consuming process of aligning HST images, especially those taken as part of mosaics.

An isothermal based recombinase polymerase amplification assay for rapid, sensitive and robust indexing of citrus yellow mosaic virus.

PubMed

Kumar, P V; Sharma, S K; Rishi, N; Ghosh, D K; Baranwal, V K

Management of viral diseases relies on definite and sensitive detection methods. Citrus yellow mosaic virus (CYMV), a double stranded DNA virus of the genus Badnavirus, causes yellow mosaic disease in citrus plants. CYMV is transmitted through budwood and requires a robust and simplified indexing protocol for budwood certification programme. The present study reports development and standardization of an isothermal based recombinase polymerase amplification (RPA) assay for a sensitive, rapid, easy, and cost-effective method for detection and diagnosis of CYMV. Two different oligonucleotide primer sets were designed from ORF III (coding for polyprotein) and ORF II (coding for virion associated protein) regions of CYMV to perform amplification assays. Comparative evaluation of RPA, PCR and immuno-capture recombinase polymerase amplification (IC-RPA) based assays were done using purified DNA and plant crude sap. CYMV infection was efficiently detected from the crude sap in RPA and IC-RPA assays. The primer set used in RPA was specific and did not show any cross-amplification with banana streak MY virus (BSMYV), another Badnavirus species. The results from the present study indicated that RPA assay can be used easily in routine indexing of citrus planting material. To the best of our knowledge, this is the first report on development of a rapid and simplified isothermal detection assay for CYMV and can be utilized as an effective technique in quarantine and budwood certification process.

Synchrotron Powder X-ray Diffraction Study of the Structure and Dehydration Behavior of Sepiolite

NASA Astrophysics Data System (ADS)

Post, J. E.; Bish, D. L.; Heaney, P. J.

2006-05-01

Sepiolite is a hydrous Mg-silicate clay mineral with fibrous morphology that typically occurs as fine-grained, poorly crystalline masses. It occurs in a wide variety of geological environments and has been mined for centuries because of its many uses, e.g. in the pharmaceutical, fertilizer, and pesticide industries. Its versatile functionality derives from the large surface area and microporosity that are characteristic of the material. In recent years, sepiolite has received considerable attention with regard to the adsorption of organics, for use as a support for catalysts, as a molecular sieve, and as an inorganic membrane for ultrafiltration. Because of its fine-grained and poorly crystalline nature, it has not been possible to study sepiolite's crystal structure using single-crystal X-ray diffraction methods, and consequently many details of the structure are still not well known. In this study, Rietveld refinements using synchrotron powder X-ray diffraction data were used to investigate the crystal structure and dehydration behavior of sepiolite from Durango, Mexico. The room- temperature (RT) sepiolite structure in air compares well with previous models but reveals an additional zeolitic water site. The RT structure under vacuum retained only ~1/8 of the zeolitic water and the volume decreased 1.3%. Real-time, temperature-resolved synchrotron powder X-ray diffraction data and Rietveld refinements were used to investigate the behavior of the sepiolite structure from 300 to 925 K. Rietveld refinements revealed that most of the zeolitic water is lost by ~390 K, accompanied by a decrease in the a and c unit-cell parameters. Above ~600 K the sepiolite structure folds as one-half of the crystallographically bound water is lost. Rietveld refinements of the "anhydrous" sepiolite structure reveal that, in general, unit-cell parameters a, b, â and volume steadily decrease with increasing temperature; there is an obvious change in slope at ~820 K suggesting a phase transformation coinciding with the loss of the remaining bound water molecule. These temperature-resolved real-time powder X-ray diffraction studies provide the first comprehensive description of the sepiolite structure and the complex changes it undergoes as it dehydrates. Additional heating and cooling in situ powder X-ray diffraction experiments are underway in order to investigate the relative stabilities and rehydration behaviors of the partially-hydrated sepiolite phases. The results of these studies should provide a more robust model for predicting and modifying the properties and applications of this critical industrial material and environmentally important mineral.

Cognitive/emotional models for human behavior representation in 3D avatar simulations

NASA Astrophysics Data System (ADS)

Peterson, James K.

2004-08-01

Simplified models of human cognition and emotional response are presented which are based on models of auditory/ visual polymodal fusion. At the core of these models is a computational model of Area 37 of the temporal cortex which is based on new isocortex models presented recently by Grossberg. These models are trained using carefully chosen auditory (musical sequences), visual (paintings) and higher level abstract (meta level) data obtained from studies of how optimization strategies are chosen in response to outside managerial inputs. The software modules developed are then used as inputs to character generation codes in standard 3D virtual world simulations. The auditory and visual training data also enable the development of simple music and painting composition generators which significantly enhance one's ability to validate the cognitive model. The cognitive models are handled as interacting software agents implemented as CORBA objects to allow the use of multiple language coding choices (C++, Java, Python etc) and efficient use of legacy code.

Ritz method for transient response in systems having unsymmetric stiffness

NASA Technical Reports Server (NTRS)

Butler, Thomas G.

1989-01-01

The DMAP coding was automated to such an extent by using the device of bubble vectors, that it is useable for analyses in its present form. This feasibility study demonstrates that the Ritz Method is so compelling as to warrant coding its modules in FORTRAN and organizing the resulting coding into a new Rigid Format. Even though this Ritz technique was developed for unsymmetric stiffness matrices, it offers advantages to problems with symmetric stiffnesses. If used for the symmetric case the solution would be simplified to one set of modes, because the adjoint would be the same as the primary. Its advantage in either type of symmetry over a classical eigenvalue modal expansion is that information density per Ritz mode is far richer than per eigenvalue mode; thus far fewer modes would be needed for the same accuracy and every mode would actively participate in the response. Considerable economy can be realized in adapting Ritz vectors for modal solutions. This new Ritz capability now makes NASTRAN even more powerful than before.

Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior

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

R. L. Williamson

A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete andmore » smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

High-throughput sample adaptive offset hardware architecture for high-efficiency video coding

NASA Astrophysics Data System (ADS)

Zhou, Wei; Yan, Chang; Zhang, Jingzhi; Zhou, Xin

2018-03-01

A high-throughput hardware architecture for a sample adaptive offset (SAO) filter in the high-efficiency video coding video coding standard is presented. First, an implementation-friendly and simplified bitrate estimation method of rate-distortion cost calculation is proposed to reduce the computational complexity in the mode decision of SAO. Then, a high-throughput VLSI architecture for SAO is presented based on the proposed bitrate estimation method. Furthermore, multiparallel VLSI architecture for in-loop filters, which integrates both deblocking filter and SAO filter, is proposed. Six parallel strategies are applied in the proposed in-loop filters architecture to improve the system throughput and filtering speed. Experimental results show that the proposed in-loop filters architecture can achieve up to 48% higher throughput in comparison with prior work. The proposed architecture can reach a high-operating clock frequency of 297 MHz with TSMC 65-nm library and meet the real-time requirement of the in-loop filters for 8 K × 4 K video format at 132 fps.

Calculation of wall effects of flow on a perforated wall with a code of surface singularities

NASA Astrophysics Data System (ADS)

Piat, J. F.

1994-07-01

Simplifying assumptions are inherent in the analytic method previously used for the determination of wall interferences on a model in a wind tunnel. To eliminate these assumptions, a new code based on the vortex lattice method was developed. It is suitable for processing any shape of test sections with limited areas of porous wall, the characteristic of which can be nonlinear. Calculation of wall effects in S3MA wind tunnel, whose test section is rectangular 0.78 m x 0.56 m, and fitted with two or four perforated walls, have been performed. Wall porosity factors have been adjusted to obtain the best fit between measured and computed pressure distributions on the test section walls. The code was checked by measuring nearly equal drag coefficients for a model tested in S3MA wind tunnel (after wall corrections) and in S2MA wind tunnel whose test section is seven times larger (negligible wall corrections).

MadDM: Computation of dark matter relic abundance

NASA Astrophysics Data System (ADS)

Backović, Mihailo; Kong, Kyoungchul; McCaskey, Mathew

2017-12-01

MadDM computes dark matter relic abundance and dark matter nucleus scattering rates in a generic model. The code is based on the existing MadGraph 5 architecture and as such is easily integrable into any MadGraph collider study. A simple Python interface offers a level of user-friendliness characteristic of MadGraph 5 without sacrificing functionality. MadDM is able to calculate the dark matter relic abundance in models which include a multi-component dark sector, resonance annihilation channels and co-annihilations. The direct detection module of MadDM calculates spin independent / spin dependent dark matter-nucleon cross sections and differential recoil rates as a function of recoil energy, angle and time. The code provides a simplified simulation of detector effects for a wide range of target materials and volumes.

Quantum error correction assisted by two-way noisy communication

PubMed Central

Wang, Zhuo; Yu, Sixia; Fan, Heng; Oh, C. H.

2014-01-01

Pre-shared non-local entanglement dramatically simplifies and improves the performance of quantum error correction via entanglement-assisted quantum error-correcting codes (EAQECCs). However, even considering the noise in quantum communication only, the non-local sharing of a perfectly entangled pair is technically impossible unless additional resources are consumed, such as entanglement distillation, which actually compromises the efficiency of the codes. Here we propose an error-correcting protocol assisted by two-way noisy communication that is more easily realisable: all quantum communication is subjected to general noise and all entanglement is created locally without additional resources consumed. In our protocol the pre-shared noisy entangled pairs are purified simultaneously by the decoding process. For demonstration, we first present an easier implementation of the well-known EAQECC [[4, 1, 3; 1

Quantum error correction assisted by two-way noisy communication.

PubMed

Wang, Zhuo; Yu, Sixia; Fan, Heng; Oh, C H

2014-11-26

Pre-shared non-local entanglement dramatically simplifies and improves the performance of quantum error correction via entanglement-assisted quantum error-correcting codes (EAQECCs). However, even considering the noise in quantum communication only, the non-local sharing of a perfectly entangled pair is technically impossible unless additional resources are consumed, such as entanglement distillation, which actually compromises the efficiency of the codes. Here we propose an error-correcting protocol assisted by two-way noisy communication that is more easily realisable: all quantum communication is subjected to general noise and all entanglement is created locally without additional resources consumed. In our protocol the pre-shared noisy entangled pairs are purified simultaneously by the decoding process. For demonstration, we first present an easier implementation of the well-known EAQECC [[4, 1, 3; 1

A comparison of VLSI architectures for time and transform domain decoding of Reed-Solomon codes

NASA Technical Reports Server (NTRS)

Hsu, I. S.; Truong, T. K.; Deutsch, L. J.; Satorius, E. H.; Reed, I. S.

1988-01-01

It is well known that the Euclidean algorithm or its equivalent, continued fractions, can be used to find the error locator polynomial needed to decode a Reed-Solomon (RS) code. It is shown that this algorithm can be used for both time and transform domain decoding by replacing its initial conditions with the Forney syndromes and the erasure locator polynomial. By this means both the errata locator polynomial and the errate evaluator polynomial can be obtained with the Euclidean algorithm. With these ideas, both time and transform domain Reed-Solomon decoders for correcting errors and erasures are simplified and compared. As a consequence, the architectures of Reed-Solomon decoders for correcting both errors and erasures can be made more modular, regular, simple, and naturally suitable for VLSI implementation.

Designing divertor targets for uniform power load

NASA Astrophysics Data System (ADS)

Dekeyser, W.; Reiter, D.; Baelmans, M.

2015-08-01

Divertor design for next step fusion reactors heavily relies on 2D edge plasma modeling with codes as e.g. B2-EIRENE. While these codes are typically used in a design-by-analysis approach, in previous work we have shown that divertor design can alternatively be posed as a mathematical optimization problem, and solved very efficiently using adjoint methods adapted from computational aerodynamics. This approach has been applied successfully to divertor target shape design for more uniform power load. In this paper, the concept is further extended to include all contributions to the target power load, with particular focus on radiation. In a simplified test problem, we show the potential benefits of fully including the radiation load in the design cycle as compared to only assessing this load in a post-processing step.

Cosmic Rays and Their Radiative Processes in Numerical Cosmology

NASA Technical Reports Server (NTRS)

Ryu, Dongsu; Miniati, Francesco; Jones, Tom W.; Kang, Hyesung

2000-01-01

A cosmological hydrodynamic code is described, which includes a routine to compute cosmic ray acceleration and transport in a simplified way. The routine was designed to follow explicitly diffusive, acceleration at shocks, and second-order Fermi acceleration and adiabatic loss in smooth flows. Synchrotron cooling of the electron population can also be followed. The updated code is intended to be used to study the properties of nonthermal synchrotron emission and inverse Compton scattering from electron cosmic rays in clusters of galaxies, in addition to the properties of thermal bremsstrahlung emission from hot gas. The results of a test simulation using a grid of 128 (exp 3) cells are presented, where cosmic rays and magnetic field have been treated passively and synchrotron cooling of cosmic ray electrons has not been included.

Online Tools for Astronomy and Cosmochemistry

NASA Technical Reports Server (NTRS)

Meyer, B. S.

2005-01-01

Over the past year, the Webnucleo Group at Clemson University has been developing a web site with a number of interactive online tools for astronomy and cosmochemistry applications. The site uses SHP (Simplified Hypertext Preprocessor), which, because of its flexibility, allows us to embed almost any computer language into our web pages. For a description of SHP, please see http://www.joeldenny.com/ At our web site, an internet user may mine large and complex data sets, such as our stellar evolution models, and make graphs or tables of the results. The user may also run some of our detailed nuclear physics and astrophysics codes, such as our nuclear statistical equilibrium code, which is written in fortran and C. Again, the user may make graphs and tables and download the results.

Graphical User Interface for the NASA FLOPS Aircraft Performance and Sizing Code

NASA Technical Reports Server (NTRS)

Lavelle, Thomas M.; Curlett, Brian P.

1994-01-01

XFLOPS is an X-Windows/Motif graphical user interface for the aircraft performance and sizing code FLOPS. This new interface simplifies entering data and analyzing results, thereby reducing analysis time and errors. Data entry is simpler because input windows are used for each of the FLOPS namelists. These windows contain fields to input the variable's values along with help information describing the variable's function. Analyzing results is simpler because output data are displayed rapidly. This is accomplished in two ways. First, because the output file has been indexed, users can view particular sections with the click of a mouse button. Second, because menu picks have been created, users can plot engine and aircraft performance data. In addition, XFLOPS has a built-in help system and complete on-line documentation for FLOPS.

Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

NASA Technical Reports Server (NTRS)

Bland, S. R.

1982-01-01

Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

Cosmic Rays and Their Radiative Processes in Numerical Cosmology

NASA Astrophysics Data System (ADS)

Ryu, D.; Miniati, F.; Jones, T. W.; Kang, H.

2000-05-01

A cosmological hydrodynamic code is described, which includes a routine to compute cosmic ray acceleration and transport in a simplified way. The routine was designed to follow explicitly diffusive acceleration at shocks, and second-order Fermi acceleration and adiabatic loss in smooth flows. Synchrotron cooling of the electron population can also be followed. The updated code is intended to be used to study the properties of nonthermal synchrotron emission and inverse Compton scattering from electron cosmic rays in clusters of galaxies, in addition to the properties of thermal bremsstrahlung emission from hot gas. The results of a test simulation using a grid of 1283 cells are presented, where cosmic rays and magnetic field have been treated passively and synchrotron cooling of cosmic ray electrons has not been included.

The Handling of Missing Binary Data in Language Research

ERIC Educational Resources Information Center

Pichette, François; Béland, Sébastien; Jolani, Shahab; Lesniewska, Justyna

2015-01-01

Researchers are frequently confronted with unanswered questions or items on their questionnaires and tests, due to factors such as item difficulty, lack of testing time, or participant distraction. This paper first presents results from a poll confirming previous claims (Rietveld & van Hout, 2006; Schafer & Graham, 2002) that data…

Standardized verification of fuel cycle modeling

DOE PAGES

Feng, B.; Dixon, B.; Sunny, E.; ...

2016-04-05

A nuclear fuel cycle systems modeling and code-to-code comparison effort was coordinated across multiple national laboratories to verify the tools needed to perform fuel cycle analyses of the transition from a once-through nuclear fuel cycle to a sustainable potential future fuel cycle. For this verification study, a simplified example transition scenario was developed to serve as a test case for the four systems codes involved (DYMOND, VISION, ORION, and MARKAL), each used by a different laboratory participant. In addition, all participants produced spreadsheet solutions for the test case to check all the mass flows and reactor/facility profiles on a year-by-yearmore » basis throughout the simulation period. The test case specifications describe a transition from the current US fleet of light water reactors to a future fleet of sodium-cooled fast reactors that continuously recycle transuranic elements as fuel. After several initial coordinated modeling and calculation attempts, it was revealed that most of the differences in code results were not due to different code algorithms or calculation approaches, but due to different interpretations of the input specifications among the analysts. Therefore, the specifications for the test case itself were iteratively updated to remove ambiguity and to help calibrate interpretations. In addition, a few corrections and modifications were made to the codes as well, which led to excellent agreement between all codes and spreadsheets for this test case. Although no fuel cycle transition analysis codes matched the spreadsheet results exactly, all remaining differences in the results were due to fundamental differences in code structure and/or were thoroughly explained. As a result, the specifications and example results are provided so that they can be used to verify additional codes in the future for such fuel cycle transition scenarios.« less

Three-tier multi-granularity switching system based on PCE

NASA Astrophysics Data System (ADS)

Wang, Yubao; Sun, Hao; Liu, Yanfei

2017-10-01

With the growing demand for business communications, electrical signal processing optical path switching can't meet the demand. The multi-granularity switch system that can improve node routing and switching capabilities came into being. In the traditional network, each node is responsible for calculating the path; synchronize the whole network state, which will increase the burden on the network, so the concept of path calculation element (PCE) is proposed. The PCE is responsible for routing and allocating resources in the network1. In the traditional band-switched optical network, the wavelength is used as the basic routing unit, resulting in relatively low wavelength utilization. Due to the limitation of wavelength continuity, the routing design of the band technology becomes complicated, which directly affects the utilization of the system. In this paper, optical code granularity is adopted. There is no continuity of the optical code, and the number of optical codes is more flexible than the wavelength. For the introduction of optical code switching, we propose a Code Group Routing Entity (CGRE) algorithm. In short, the combination of three-tier multi-granularity optical switching system and PCE can simplify the network structure, reduce the node load, and enhance the network scalability and survivability. Realize the intelligentization of optical network.

Corrigendum: First principles calculation of field emission from nanostructures using time-dependent density functional theory: A simplified approach

NASA Astrophysics Data System (ADS)

Tawfik, Sherif A.; El-Sheikh, S. M.; Salem, N. M.

2016-09-01

Recently we have become aware that the description of the quantum wave functions in Sec. 2.1 is incorrect. In the published version of the paper, we have stated that the states are expanded in terms of plane waves. However, the correct description of the quantum states in the context of the real space implementation (using the Octopus code) is that states are represented by discrete points in a real space grid.

The Sydney University PAPA camera

NASA Astrophysics Data System (ADS)

Lawson, Peter R.

1994-04-01

The Precision Analog Photon Address (PAPA) camera is a photon-counting array detector that uses optical encoding to locate photon events on the output of a microchannel plate image intensifier. The Sydney University camera is a 256x256 pixel detector which can operate at speeds greater than 1 million photons per second and produce individual photon coordinates with a deadtime of only 300 ns. It uses a new Gray coded mask-plate which permits a simplified optical alignment and successfully guards against vignetting artifacts.

Hello World Deep Learning in Medical Imaging.

PubMed

Lakhani, Paras; Gray, Daniel L; Pett, Carl R; Nagy, Paul; Shih, George

2018-05-03

There is recent popularity in applying machine learning to medical imaging, notably deep learning, which has achieved state-of-the-art performance in image analysis and processing. The rapid adoption of deep learning may be attributed to the availability of machine learning frameworks and libraries to simplify their use. In this tutorial, we provide a high-level overview of how to build a deep neural network for medical image classification, and provide code that can help those new to the field begin their informatics projects.

Analysis, Design and Implementation of a Proof-of-Concept Prototype to Support Large-Scale Military Experimentation

DTIC Science & Technology

2013-09-01

Result Analysis In this phase, users and analysts check all the results per objective- question. Then, they consolidate all these results to form...the CRUD technique. By using both the CRUD and the user goal techniques, we identified all the use cases the iFRE system must perform. Table 3...corresponding Focus Area or Critical Operation Issue to simplify the user tasks, and exempts the user from remembering the identifying codes/numbers of

Marking parts to aid robot vision

NASA Technical Reports Server (NTRS)

Bales, J. W.; Barker, L. K.

1981-01-01

The premarking of parts for subsequent identification by a robot vision system appears to be beneficial as an aid in the automation of certain tasks such as construction in space. A simple, color coded marking system is presented which allows a computer vision system to locate an object, calculate its orientation, and determine its identity. Such a system has the potential to operate accurately, and because the computer shape analysis problem has been simplified, it has the ability to operate in real time.

Developing a method for specifying the components of behavior change interventions in practice: the example of smoking cessation.

PubMed

Lorencatto, Fabiana; West, Robert; Seymour, Natalie; Michie, Susan

2013-06-01

There is a difference between interventions as planned and as delivered in practice. Unless we know what was actually delivered, we cannot understand "what worked" in effective interventions. This study aimed to (a) assess whether an established taxonomy of 53 smoking cessation behavior change techniques (BCTs) may be applied or adapted as a method for reliably specifying the content of smoking cessation behavioral support consultations and (b) develop an effective method for training researchers and practitioners in the reliable application of the taxonomy. Fifteen transcripts of audio-recorded consultations delivered by England's Stop Smoking Services were coded into component BCTs using the taxonomy. Interrater reliability and potential adaptations to the taxonomy to improve coding were discussed following 3 coding waves. A coding training manual was developed through expert consensus and piloted on 10 trainees, assessing coding reliability and self-perceived competence before and after training. An average of 33 BCTs from the taxonomy were identified at least once across sessions and coding waves. Consultations contained on average 12 BCTs (range = 8-31). Average interrater reliability was high (88% agreement). The taxonomy was adapted to simplify coding by merging co-occurring BCTs and refining BCT definitions. Coding reliability and self-perceived competence significantly improved posttraining for all trainees. It is possible to apply a taxonomy to reliably identify and classify BCTs in smoking cessation behavioral support delivered in practice, and train inexperienced coders to do so reliably. This method can be used to investigate variability in provision of behavioral support across services, monitor fidelity of delivery, and identify training needs.

Optical encryption of digital data in form of quick response code using spatially incoherent illumination

NASA Astrophysics Data System (ADS)

Cheremkhin, Pavel A.; Krasnov, Vitaly V.; Rodin, Vladislav G.; Starikov, Rostislav S.

2016-11-01

Applications of optical methods for encryption purposes have been attracting interest of researchers for decades. The most popular are coherent techniques such as double random phase encoding. Its main advantage is high security due to transformation of spectrum of image to be encrypted into white spectrum via use of first phase random mask which allows for encrypted images with white spectra. Downsides are necessity of using holographic registration scheme and speckle noise occurring due to coherent illumination. Elimination of these disadvantages is possible via usage of incoherent illumination. In this case, phase registration no longer matters, which means that there is no need for holographic setup, and speckle noise is gone. Recently, encryption of digital information in form of binary images has become quite popular. Advantages of using quick response (QR) code in capacity of data container for optical encryption include: 1) any data represented as QR code will have close to white (excluding zero spatial frequency) Fourier spectrum which have good overlapping with encryption key spectrum; 2) built-in algorithm for image scale and orientation correction which simplifies decoding of decrypted QR codes; 3) embedded error correction code allows for successful decryption of information even in case of partial corruption of decrypted image. Optical encryption of digital data in form QR codes using spatially incoherent illumination was experimentally implemented. Two liquid crystal spatial light modulators were used in experimental setup for QR code and encrypting kinoform imaging respectively. Decryption was conducted digitally. Successful decryption of encrypted QR codes is demonstrated.

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

Womeldorff, Geoffrey Alan; Payne, Joshua Estes; Bergen, Benjamin Karl

These are slides for a presentation on PARTISN Research and FleCSI Updates. The following topics are covered: SNAP vs PARTISN, Background Research, Production Code (structural design and changes, kernel design and implementation, lessons learned), NuT IMC Proxy, FleCSI Update (design and lessons learned). It can all be summarized in the following manner: Kokkos was shown to be effective in FY15 in implementing a C++ version of SNAP's kernel. This same methodology was applied to a production IC code, PARTISN. This was a much more complex endeavour than in FY15 for many reasons; a C++ kernel embedded in Fortran, overloading Fortranmore » memory allocations, general language interoperability, and a fully fleshed out production code versus a simplified proxy code. Lessons learned are Legion. In no particular order: Interoperability between Fortran and C++ was really not that hard, and a useful engineering effort. Tracking down all necessary memory allocations for a kernel in a production code is pretty hard. Modifying a production code to work for more than a handful of use cases is also pretty hard. Figuring out the toolchain that will allow a successful implementation of design decisions is quite hard, if making use of "bleeding edge" design choices. In terms of performance, production code concurrency architecture can be a virtual showstopper; being too complex to easily rewrite and test in a short period of time, or depending on tool features which do not exist yet. Ultimately, while the tools used in this work were not successful in speeding up the production code, they helped to identify how work would be done, and provide requirements to tools.« less

Simulated Raman Spectral Analysis of Organic Molecules

NASA Astrophysics Data System (ADS)

Lu, Lu

The advent of the laser technology in the 1960s solved the main difficulty of Raman spectroscopy, resulted in simplified Raman spectroscopy instruments and also boosted the sensitivity of the technique. Up till now, Raman spectroscopy is commonly used in chemistry and biology. As vibrational information is specific to the chemical bonds, Raman spectroscopy provides fingerprints to identify the type of molecules in the sample. In this thesis, we simulate the Raman Spectrum of organic and inorganic materials by General Atomic and Molecular Electronic Structure System (GAMESS) and Gaussian, two computational codes that perform several general chemistry calculations. We run these codes on our CPU-based high-performance cluster (HPC). Through the message passing interface (MPI), a standardized and portable message-passing system which can make the codes run in parallel, we are able to decrease the amount of time for computation and increase the sizes and capacities of systems simulated by the codes. From our simulations, we will set up a database that allows search algorithm to quickly identify N-H and O-H bonds in different materials. Our ultimate goal is to analyze and identify the spectra of organic matter compositions from meteorites and compared these spectra with terrestrial biologically-produced amino acids and residues.

Micromechanics Analysis Code Post-Processing (MACPOST) User Guide. 1.0

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Comiskey, Michele D.; Bednarcyk, Brett A.

1999-01-01

As advanced composite materials have gained wider usage. the need for analytical models and computer codes to predict the thermomechanical deformation response of these materials has increased significantly. Recently, a micromechanics technique called the generalized method of cells (GMC) has been developed, which has the capability to fulfill this -oal. Tc provide a framework for GMC, the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) has been developed. As MAC/GMC has been updated, significant improvements have been made to the post-processing capabilities of the code. Through the MACPOST program, which operates directly within the MSC/PATRAN graphical pre- and post-processing package, a direct link between the analysis capabilities of MAC/GMC and the post-processing capabilities of MSC/PATRAN has been established. MACPOST has simplified the production, printing. and exportation of results for unit cells analyzed by MAC/GMC. MACPOST allows different micro-level quantities to be plotted quickly and easily in contour plots. In addition, meaningful data for X-Y plots can be examined. MACPOST thus serves as an important analysis and visualization tool for the macro- and micro-level data generated by MAC/GMC. This report serves as the user's manual for the MACPOST program.

Post-test analysis of PIPER-ONE PO-IC-2 experiment by RELAP5/MOD3 codes

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

Bovalini, R.; D`Auria, F.; Galassi, G.M.

1996-11-01

RELAP5/MOD3.1 was applied to the PO-IC-2 experiment performed in PIPER-ONE facility, which has been modified to reproduce typical isolation condenser thermal-hydraulic conditions. RELAP5 is a well known code widely used at the University of Pisa during the past seven years. RELAP5/MOD3.1 was the latest version of the code made available by the Idaho National Engineering Laboratory at the time of the reported study. PIPER-ONE is an experimental facility simulating a General Electric BWR-6 with volume and height scaling ratios of 1/2,200 and 1./1, respectively. In the frame of the present activity a once-through heat exchanger immersed in a pool ofmore » ambient temperature water, installed approximately 10 m above the core, was utilized to reproduce qualitatively the phenomenologies expected for the Isolation Condenser in the simplified BWR (SBWR). The PO-IC-2 experiment is the flood up of the PO-SD-8 and has been designed to solve some of the problems encountered in the analysis of the PO-SD-8 experiment. A very wide analysis is presented hereafter including the use of different code versions.« less

GEN-IV Benchmarking of Triso Fuel Performance Models under accident conditions modeling input data

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

Collin, Blaise Paul

This document presents the benchmark plan for the calculation of particle fuel performance on safety testing experiments that are representative of operational accidental transients. The benchmark is dedicated to the modeling of fission product release under accident conditions by fuel performance codes from around the world, and the subsequent comparison to post-irradiation experiment (PIE) data from the modeled heating tests. The accident condition benchmark is divided into three parts: • The modeling of a simplified benchmark problem to assess potential numerical calculation issues at low fission product release. • The modeling of the AGR-1 and HFR-EU1bis safety testing experiments. •more » The comparison of the AGR-1 and HFR-EU1bis modeling results with PIE data. The simplified benchmark case, thereafter named NCC (Numerical Calculation Case), is derived from “Case 5” of the International Atomic Energy Agency (IAEA) Coordinated Research Program (CRP) on coated particle fuel technology [IAEA 2012]. It is included so participants can evaluate their codes at low fission product release. “Case 5” of the IAEA CRP-6 showed large code-to-code discrepancies in the release of fission products, which were attributed to “effects of the numerical calculation method rather than the physical model” [IAEA 2012]. The NCC is therefore intended to check if these numerical effects subsist. The first two steps imply the involvement of the benchmark participants with a modeling effort following the guidelines and recommendations provided by this document. The third step involves the collection of the modeling results by Idaho National Laboratory (INL) and the comparison of these results with the available PIE data. The objective of this document is to provide all necessary input data to model the benchmark cases, and to give some methodology guidelines and recommendations in order to make all results suitable for comparison with each other. The participants should read this document thoroughly to make sure all the data needed for their calculations is provided in the document. Missing data will be added to a revision of the document if necessary. 09/2016: Tables 6 and 8 updated. AGR-2 input data added« less

Generation IV benchmarking of TRISO fuel performance models under accident conditions: Modeling input data

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

Collin, Blaise P.

2014-09-01

This document presents the benchmark plan for the calculation of particle fuel performance on safety testing experiments that are representative of operational accidental transients. The benchmark is dedicated to the modeling of fission product release under accident conditions by fuel performance codes from around the world, and the subsequent comparison to post-irradiation experiment (PIE) data from the modeled heating tests. The accident condition benchmark is divided into three parts: the modeling of a simplified benchmark problem to assess potential numerical calculation issues at low fission product release; the modeling of the AGR-1 and HFR-EU1bis safety testing experiments; and, the comparisonmore » of the AGR-1 and HFR-EU1bis modeling results with PIE data. The simplified benchmark case, thereafter named NCC (Numerical Calculation Case), is derived from ''Case 5'' of the International Atomic Energy Agency (IAEA) Coordinated Research Program (CRP) on coated particle fuel technology [IAEA 2012]. It is included so participants can evaluate their codes at low fission product release. ''Case 5'' of the IAEA CRP-6 showed large code-to-code discrepancies in the release of fission products, which were attributed to ''effects of the numerical calculation method rather than the physical model''[IAEA 2012]. The NCC is therefore intended to check if these numerical effects subsist. The first two steps imply the involvement of the benchmark participants with a modeling effort following the guidelines and recommendations provided by this document. The third step involves the collection of the modeling results by Idaho National Laboratory (INL) and the comparison of these results with the available PIE data. The objective of this document is to provide all necessary input data to model the benchmark cases, and to give some methodology guidelines and recommendations in order to make all results suitable for comparison with each other. The participants should read this document thoroughly to make sure all the data needed for their calculations is provided in the document. Missing data will be added to a revision of the document if necessary.« less

Dynamics of face and annular seals with two-phase flow

NASA Technical Reports Server (NTRS)

Hughes, William F.; Basu, Prithwish; Beatty, Paul A.; Beeler, Richard M.; Lau, Stephen

1989-01-01

A detailed study was made of face and annular seals under conditions where boiling, i.e., phase change of the leaking fluid, occurs within the seal. Many seals operate in this mode because of flashing due to pressure drop and/or heat input from frictional heating. High pressure, water pumps, industrial chemical pumps, and cryogenic pumps are mentioned as a few of many applications. The initial motivation was the LOX-GOX seals for the space shuttle main engine, but the study was expanded to include any face or annular seal where boiling occurs. Some of the distinctive behavior characteristics of two-phase seals were discussed, particularly their axial stability. While two-phase seals probably exhibit instability to disturbances of other degrees of freedom such as wobble, etc., under certain conditions, such analyses are too complex to be treated at present. Since an all liquid seal (with parallel faces) has a neutral axial stiffness curve, and is stabilized axially by convergent coning, other degrees of freedom stability analyses are necessary. However, the axial stability behavior of the two-phase seal is always a consideration no matter how well the seal is aligned and regardless of the speed. Hence, axial stability is thought of as the primary design consideration for two-phase seals and indeed the stability behavior under sub-cooling variations probably overshadows other concerns. The main thrust was the dynamic analysis of axial motion of two-phase face seals, principally the determination of axial stiffness, and the steady behavior of two-phase annular seals. The main conclusions are that seals with two-phase flow may be unstable if improperly balanced. Detailed theoretical analyses of low (laminar) and high (turbulent) leakage seals are presented along with computer codes, parametric studies, and in particular a simplified PC based code that allows for rapid performance prediction. A simplified combined computer code for the performance prediction over the laminar and turbulent ranges of a two-phase seal is described and documented. The analyses, results, and computer codes are summarized.

Crystalline phases involved in the hydration of calcium silicate-based cements: Semi-quantitative Rietveld X-ray diffraction analysis.

PubMed

Grazziotin-Soares, Renata; Nekoofar, Mohammad H; Davies, Thomas; Hübler, Roberto; Meraji, Naghmeh; Dummer, Paul M H

2017-08-30

Chemical comparisons of powder and hydrated forms of calcium silicate cements (CSCs) and calculation of alterations in tricalcium silicate (Ca 3 SiO 5 ) calcium hydroxide (Ca(OH) 2 ) are essential for understanding their hydration processes. This study aimed to evaluate and compare these changes in ProRoot MTA, Biodentine and CEM cement. Powder and hydrated forms of tooth coloured ProRoot MTA, Biodentine and CEM cement were subjected to X-ray diffraction (XRD) analysis with Rietveld refinement to semi-quantitatively identify and quantify the main phases involved in their hydration process. Data were reported descriptively. Reduction in Ca 3 SiO 5 and formation of Ca(OH) 2 were seen after the hydration of ProRoot MTA and Biodentine; however, in the case of CEM cement, no reduction of Ca 3 SiO 5 and no formation of Ca(OH) 2 were detected. The highest percentages of amorphous phases were seen in Biodentine samples. Ettringite was detected in the hydrated forms of ProRoot MTA and CEM cement but not in Biodentine. © 2017 Australian Society of Endodontology Inc.

Rietveld refinement of the crystal structures of Rb2 XSi5O12 (X = Ni, Mn).

PubMed

Bell, Anthony M T; Henderson, C Michael B

2016-02-01

The synthetic leucite silicate framework mineral analogues Rb2 XSi5O12 {X = Ni [dirubidium nickel(II) penta-silicate] and Mn [dirubidium manganese(II) penta-silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetra-hedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb(+) cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra-hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni-O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder.

Rietveld refinement of the crystal structures of Rb2 XSi5O12 (X = Ni, Mn)

PubMed Central

Bell, Anthony M. T.; Henderson, C. Michael B.

2016-01-01

The synthetic leucite silicate framework mineral analogues Rb2 XSi5O12 {X = Ni [dirubidium nickel(II) penta­silicate] and Mn [dirubidium manganese(II) penta­silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetra­hedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb+ cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra­hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder. PMID:26958399

Structure, microstructure and infrared studies of Ba{sub 0.06}(Na{sub 1/2}Bi{sub 1/2}){sub 0.94}TiO{sub 3}-NaNbO{sub 3} ceramics

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

Roy, Sumit K., E-mail: sumit.sxc13@gmail.com; Singh, S. N., E-mail: snsphyru@gmail.com; Prasad, K., E-mail: k.prasad65@gmail.com

2016-05-06

Lead-free solid solutions (1-x)Ba{sub 0.06}(Na{sub 1/2}Bi{sub 1/2}){sub 0.94}TiO{sub 3}-xNaNbO{sub 3} (0 ≤ x ≤ 1.0) were prepared by conventional ceramic fabrication technique. X-ray diffraction and Rietveld refinement analyses of these ceramics were carried out using X’Pert HighScore Plus software to determine the crystal symmetry, space group and unit cell dimensions. Rietveld refinement revealed that NaNbO{sub 3} with orthorhombic structure was completely diffused into Ba{sub 0.06}(Na{sub 1/2}Bi{sub 1/2}){sub 0.94}TiO{sub 3} lattice having the rhombohedral-tetragonal symmetry. EDS and SEM studies were carried out in order to evaluate the quality and purity of the compounds. SEM images showed a change in grain shapemore » with the increase of NaNbO{sub 3} content. FTIR spectra confirmed the formation of solid solution.« less

Parametric Rietveld refinement and magnetic characterization of superparamagnetic iron oxide nanoparticles

NASA Astrophysics Data System (ADS)

Pereira, Guilherme Ferreira Lemos; Costa, Fanny Nascimento; Souza, José Antonio; Haddad, Paula Silvia; Ferreira, Fabio Furlan

2018-06-01

This article describes the synthesis of two superparamagnetic iron oxide nanoparticles (SPIONs) covered with different ligands - hydrophobic (oleic acid (OA)) and hydrophilic (tetraethyl ammonium (TEA)) - and the investigation of the effects of thermal treatments on the crystal structure of TEA-SPIONs or OA-SPIONs using X-ray powder diffraction data and parametric Rietveld refinements; we stablished non-crystallographic models to describe how the oxidation processes take place with increasing temperatures for the different systems. The morphological and magnetic properties revealed the nanoparticles have a mean diameter of ∼10 nm in the solid state and are superparamagnetic at room temperature. Magnetization measurements confirmed the superparamagnetic state for both systems and revealed smaller particle sizes and narrower size distribution for OA-SPIONs than for TEA-SPIONs. The thermomagnetic analyses show only the ferrimagnetic phase transition of magnetite for OA-SPIONs while in the TEA-SPIONs, besides the ferrimagnetic phase transition there is the appearance of an antiferromagnetic one disclosing the evolution of hematite phase probably on the surface of magnetite due to thermal cycles.

Rietveld refinement and dielectric properties of (Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) ceramics

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

Kaswan, Kavita, E-mail: kaswan.kavita@gmail.com; Agarwal, Ashish; Sanghi, Sujata

2015-06-24

(1-x)(Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-x(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) lead free ceramics (NBT, NBT-BBFO; x = 0.0, 0.1 respectively) have been synthesized by conventional solid state reaction method. Crystalline phase of sintered ceramics was investigated at room temperature using X-ray diffraction. Rietveld refinement of XRD data performed by FullProf revealed that both the samples exhibited rhombohedral structure with R3c space group. Dielectric properties of these ceramics were studied at different temperatures in a wide frequency range using impedance analyzer. Dielectric constant and dielectric loss were found to be increase with increase of BBFO content. The prepared ceramics exhibit a broad maximum inmore » dielectric permittivity at 593K and dispersive permittivity at high temperatures. The NBT-BBFO sample shows a relaxor ferroelectric behavior at different frequencies.« less

Structural investigations of Pu{sup III} phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

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

Popa, Karin; Raison, Philippe E., E-mail: philippe.raison@ec.europa.eu; Martel, Laura

2015-10-15

PuPO{sub 4} was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as β{sup −} decay product of plutonium) in the +III oxidation state was determined based on XANES spectroscopy. High resolution solid state {sup 31}P NMR agrees with the XANES results and the presence of a solid-solution. - Graphical abstract: A full structural analysis of PuPO{sub 4} based on Rietveld analysis ofmore » room temperature X-ray diffraction data, XANES and MAS NMR measurements was performed. - Highlights: • The crystal structure of PuPO{sub 4} monazite is solved. • In PuPO{sub 4} plutonium is strictly trivalent. • The presence of a minute amount of Am{sup III} is highlighted. • We propose PuPO{sub 4} as a potential reference material for spectroscopic and microscopic studies.« less

An Evolving Worldview: Making Open Source Easy

NASA Astrophysics Data System (ADS)

Rice, Z.

2017-12-01

NASA Worldview is an interactive interface for browsing full-resolution, global satellite imagery. Worldview supports an open data policy so that academia, private industries and the general public can use NASA's satellite data to address Earth science related issues. Worldview was open sourced in 2014. By shifting to an open source approach, the Worldview application has evolved to better serve end-users. Project developers are able to have discussions with end-users and community developers to understand issues and develop new features. Community developers are able to track upcoming features, collaborate on them and make their own contributions. Developers who discover issues are able to address those issues and submit a fix. This reduces the time it takes for a project developer to reproduce an issue or develop a new feature. Getting new developers to contribute to the project has been one of the most important and difficult aspects of open sourcing Worldview. After witnessing potential outside contributors struggle, a focus has been made on making the installation of Worldview simple to reduce the initial learning curve and make contributing code easy. One way we have addressed this is through a simplified setup process. Our setup documentation includes a set of prerequisites and a set of straightforward commands to clone, configure, install and run. This presentation will emphasize our focus to simplify and standardize Worldview's open source code so that more people are able to contribute. The more people who contribute, the better the application will become over time.

Simulating a Thin Accretion Disk Using PLUTO

NASA Astrophysics Data System (ADS)

Phillipson, Rebecca; Vogeley, Michael S.; Boyd, Patricia T.

2017-08-01

Accreting black hole systems such as X-ray binaries and active galactic nuclei exhibit variability in their luminosity on many timescales ranging from milliseconds to tens of days, and even hundreds of days. The mechanism(s) driving this variability and the relationship between short- and long-term variability is poorly understood. Current studies on accretion disks seek to determine how the changes in black hole mass, the rate at which mass accretes onto the central black hole, and the external environment affect the variability on scales ranging from stellar-mass black holes to supermassive black holes. Traditionally, the fluid mechanics equations governing accretion disks have been simplified by considering only the kinematics of the disk, and perhaps magnetic fields, in order for their phenomenological behavior to be predicted analytically. We seek to employ numerical techniques to study accretion disks including more complicated physics traditionally ignored in order to more accurately understand their behavior over time. We present a proof-of-concept three dimensional, global simulation using the astrophysical hydrodynamic code PLUTO of a simplified thin disk model about a central black hole which will serve as the basis for development of more complicated models including external effects such as radiation and magnetic fields. We also develop a tool to generate a synthetic light curve that displays the variability in luminosity of the simulation over time. The preliminary simulation and accompanying synthetic light curve demonstrate that PLUTO is a reliable code to perform sophisticated simulations of accretion disk systems which can then be compared to observational results.

Commercial turbofan engine exhaust nozzle flow analyses using PAB3D

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.; Uenishi, K.; Carlson, John R.; Keith, B. D.

1992-01-01

Recent developments of a three-dimensional (PAB3D) code have paved the way for a computational investigation of complex aircraft aerodynamic components. The PAB3D code was developed for solving the simplified Reynolds Averaged Navier-Stokes equations in a three-dimensional multiblock/multizone structured mesh domain. The present analysis was applied to commercial turbofan exhaust flow systems. Solution sensitivity to grid density is presented. Laminar flow solutions were developed for all grids and two-equation k-epsilon solutions were developed for selected grids. Static pressure distributions, mass flow and thrust quantities were calculated for on-design engine operating conditions. Good agreement between predicted surface static pressures and experimental data was observed at different locations. Mass flow was predicted within 0.2 percent of experimental data. Thrust forces were typically within 0.4 percent of experimental data.

SKIRT: Hybrid parallelization of radiative transfer simulations

NASA Astrophysics Data System (ADS)

Verstocken, S.; Van De Putte, D.; Camps, P.; Baes, M.

2017-07-01

We describe the design, implementation and performance of the new hybrid parallelization scheme in our Monte Carlo radiative transfer code SKIRT, which has been used extensively for modelling the continuum radiation of dusty astrophysical systems including late-type galaxies and dusty tori. The hybrid scheme combines distributed memory parallelization, using the standard Message Passing Interface (MPI) to communicate between processes, and shared memory parallelization, providing multiple execution threads within each process to avoid duplication of data structures. The synchronization between multiple threads is accomplished through atomic operations without high-level locking (also called lock-free programming). This improves the scaling behaviour of the code and substantially simplifies the implementation of the hybrid scheme. The result is an extremely flexible solution that adjusts to the number of available nodes, processors and memory, and consequently performs well on a wide variety of computing architectures.

Rotary engine performance computer program (RCEMAP and RCEMAPPC): User's guide

NASA Technical Reports Server (NTRS)

Bartrand, Timothy A.; Willis, Edward A.

1993-01-01

This report is a user's guide for a computer code that simulates the performance of several rotary combustion engine configurations. It is intended to assist prospective users in getting started with RCEMAP and/or RCEMAPPC. RCEMAP (Rotary Combustion Engine performance MAP generating code) is the mainframe version, while RCEMAPPC is a simplified subset designed for the personal computer, or PC, environment. Both versions are based on an open, zero-dimensional combustion system model for the prediction of instantaneous pressures, temperature, chemical composition and other in-chamber thermodynamic properties. Both versions predict overall engine performance and thermal characteristics, including bmep, bsfc, exhaust gas temperature, average material temperatures, and turbocharger operating conditions. Required inputs include engine geometry, materials, constants for use in the combustion heat release model, and turbomachinery maps. Illustrative examples and sample input files for both versions are included.

Probing the Crystal Structure and Formation Mechanism of Lanthanide-Doped Upconverting Nanocrystals

DOE PAGES

Hudry, Damien; Abeykoon, A. M. M.; Dooryhee, E.; ...

2016-11-23

Lanthanide (Ln)-doped upconverting nanocrystals (UCNCs), such as NaLnF 4 (with Ln = lanthanide), constitute an important class of nanoscale materials due to their capacity to convert near-infrared photons into near-ultraviolet or visible light. Although under intense investigation for more than a decade, UCNCs have been relatively underexplored especially regarding their crystal structure and mechanisms of formation in organic media. The former is needed to explain the relationship between atomic scale structure and upconversion (UC) properties of UCNCs (i.e., local symmetry for 4f–4f transition probability, Ln 3+ distances for energy migration), while the latter is essential to finely tune the size, morphology, chemical composition, and architecture of well-defined upconverting nanostructures, which constitute the experimental levers to modify the optical properties. In this contribution, we use synchrotron-based diffraction experiments coupled to Rietveld and pair distribution function (PDF) analyses to understand the formation of NaGdF 4:Yb:Er UCNCs in organic media and to investigate their crystal structure. Our results reveal a complex mechanism of the formation of NaGdF 4:Yb:Er UCNCs based on chemical reactions involving molecular clusters and in situ-generated, crystalline sodium fluoride at high temperature. Additionally, a detailed crystallographic investigation of NaGdF 4:Yb:Er UCNCs is presented. Our Rietveld and PDF analyses show that the space group Pmore » $$\\bar{6}$$ is the one that best describes the crystal structure of NaGdF 4:Yb:Er UCNCs contrary to what has been recently proposed. Further, our Rietveld and PDF data reveal the formation of bulk-like crystal structure down to 10 nm with limited distortions. Finally, the results presented in this paper constitute an important step toward the comprehensive understanding of the underlying picture that governs UC properties of lanthanide-doped nanostructures.« less

Phase composition and morphological characterization of human kidney stones using IR spectroscopy, scanning electron microscopy and X-ray Rietveld analysis.

PubMed

Chatterjee, Paramita; Chakraborty, Arup; Mukherjee, Alok K

2018-07-05

Pathological calcification in human urinary tract (kidney stones) is a common problem affecting an increasing number of people around the world. Analysis of such minerals or compounds is of fundamental importance for understanding their etiology and for the development of prophylactic measures. In the present study, structural characterization, phase quantification and morphological behaviour of thirty three (33) human kidney stones from eastern India have been carried out using IR spectroscopy (FT-IR), powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM). Quantitative phase composition of kidney stones has been analyzed following the Rietveld method. Based on the quantitative estimates of constituent phases, the calculi samples have been classified into oxalate (OX), uric acid (UA), phosphate (PH) and mixed (MX) groups. Rietveld analysis of PXRD patterns showed that twelve (36%) of the renal calculi were composed exclusively of whewellite (calcium oxalate monohydrate, COM). The remaining twenty one (64%) stones were mixture of phases with oxalate as the major constituent in fourteen (67%) of these stones. The average crystallite size of whewellite in oxalate stones, as determined from the PXRD analysis, varies between 93 (1) nm and 202 (3) nm, whereas the corresponding sizes for the uric acid and struvite crystallites in UA and PH stones are 79 (1)-155 (4) nm and 69 (1)-123(1) nm, respectively. The size of hydroxyapatite crystallites, 10 (1)-21 (1) nm, is smaller by about one order of magnitude compared to other minerals in the kidney stones. A statistical analysis using fifty (50) kidney stones (33 calculi from the present study and 17 calculi reported earlier from our laboratory) revealed that the oxalate group (whewellite, weddellite or mixture of whewellite and weddellite as the major constituent) is the most prevalent (82%) kidney stone type in eastern India. Copyright © 2018 Elsevier B.V. All rights reserved.

Structure of β-AgGaO{sub 2}; ternary I–III–VI{sub 2} oxide semiconductor with a wurtzite-derived structure

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

Nagatani, Hiraku; Suzuki, Issei; Kita, Masao

2015-02-15

The structure of the wurtzite-derived β-AgGaO{sub 2} was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna2{sub 1} with lattice parameters of a{sub 0}=5.56175 Å, b{sub 0}=7.14749 Å, and c{sub 0}=5.46875 Å. The deviation of O–Ag–O and M–O–M bond angles from the regular tetrahedral angle of 109.5° was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO{sub 2} is discussed based on its structure, and the indirect band gap of β-AgGaO{sub 2} was related to significant tetrahedral distortion. Although β-AgGaO{sub 2} decomposes into metallicmore » silver and Ga{sub 2}O{sub 3} at a high temperature in any atmosphere, β-AgGaO{sub 2} is stable up to 690 °C under an O{sub 2} atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO{sub 2}. - Graphical abstract: Crystal structure of β-AgGaO{sub 2} was refined by Rietveld analysis. AgO{sub 4} and O(Ag,Ga){sub 4} tetrahedra are significantly distorted from ideal tetrahedron. - Highlights: • Orthorhombic β-AgGaO{sub 2} with a wurtzite-derived β-NaFeO{sub 2} structure was synthesized. • Its structure was refined by Rietveld analysis of high-resolution XRD data. • Silver and oxygen tetrahedra are significantly distorted from an ideal tetrahedron. • The extent of this tetrahedral distortion is related to the band gap nature. • β-AgGaO{sub 2} is a metastable phase but is stable up to 690 °C in an O{sub 2} atmosphere.« less

MPI, HPF or OpenMP: A Study with the NAS Benchmarks

NASA Technical Reports Server (NTRS)

Jin, Hao-Qiang; Frumkin, Michael; Hribar, Michelle; Waheed, Abdul; Yan, Jerry; Saini, Subhash (Technical Monitor)

1999-01-01

Porting applications to new high performance parallel and distributed platforms is a challenging task. Writing parallel code by hand is time consuming and costly, but the task can be simplified by high level languages and would even better be automated by parallelizing tools and compilers. The definition of HPF (High Performance Fortran, based on data parallel model) and OpenMP (based on shared memory parallel model) standards has offered great opportunity in this respect. Both provide simple and clear interfaces to language like FORTRAN and simplify many tedious tasks encountered in writing message passing programs. In our study we implemented the parallel versions of the NAS Benchmarks with HPF and OpenMP directives. Comparison of their performance with the MPI implementation and pros and cons of different approaches will be discussed along with experience of using computer-aided tools to help parallelize these benchmarks. Based on the study,potentials of applying some of the techniques to realistic aerospace applications will be presented

MPI, HPF or OpenMP: A Study with the NAS Benchmarks

NASA Technical Reports Server (NTRS)

Jin, H.; Frumkin, M.; Hribar, M.; Waheed, A.; Yan, J.; Saini, Subhash (Technical Monitor)

1999-01-01

Porting applications to new high performance parallel and distributed platforms is a challenging task. Writing parallel code by hand is time consuming and costly, but this task can be simplified by high level languages and would even better be automated by parallelizing tools and compilers. The definition of HPF (High Performance Fortran, based on data parallel model) and OpenMP (based on shared memory parallel model) standards has offered great opportunity in this respect. Both provide simple and clear interfaces to language like FORTRAN and simplify many tedious tasks encountered in writing message passing programs. In our study, we implemented the parallel versions of the NAS Benchmarks with HPF and OpenMP directives. Comparison of their performance with the MPI implementation and pros and cons of different approaches will be discussed along with experience of using computer-aided tools to help parallelize these benchmarks. Based on the study, potentials of applying some of the techniques to realistic aerospace applications will be presented.

Simplified spectraphotometric method for the detection of red blood cell agglutination.

PubMed

Ramasubramanian, Melur; Anthony, Steven; Lambert, Jeremy

2008-08-01

Human error is the most significant factor attributed to incompatible blood transfusions. A spectrophotometric approach to blood typing has been developed by examining the spectral slopes of dilute red blood cell (RBC) suspensions in saline, in the presence and absence of various antibodies, offering a technique for the quantitative determination of agglutination intensity [Transfusion39, 1051, 1999TRANAT0041-113210.1046/j.1537-2995.1999.39101051.x]. We offer direct theoretical prediction of the observed change in slope in the 660-1000 nm range through the use of the T-matrix approach and Lorenz-Mie theory for light scattering by dilute RBC suspensions. Following a numerical simulation using the T-matrix code, we present a simplified sensing method for detecting agglutination. The sensor design has been prototyped, fully characterized, and evaluated through a complete set of tests with over 60 RBC samples and compared with the full spectrophotometric method. The LED and photodiode pairs are found to successfully reproduce the spectroscopic determination of red blood cell agglutination.

A simplified analysis of propulsion installation losses for computerized aircraft design

NASA Technical Reports Server (NTRS)

Morris, S. J., Jr.; Nelms, W. P., Jr.; Bailey, R. O.

1976-01-01

A simplified method is presented for computing the installation losses of aircraft gas turbine propulsion systems. The method has been programmed for use in computer aided conceptual aircraft design studies that cover a broad range of Mach numbers and altitudes. The items computed are: inlet size, pressure recovery, additive drag, subsonic spillage drag, bleed and bypass drags, auxiliary air systems drag, boundary-layer diverter drag, nozzle boattail drag, and the interference drag on the region adjacent to multiple nozzle installations. The methods for computing each of these installation effects are described and computer codes for the calculation of these effects are furnished. The results of these methods are compared with selected data for the F-5A and other aircraft. The computer program can be used with uninstalled engine performance information which is currently supplied by a cycle analysis program. The program, including comments, is about 600 FORTRAN statements long, and uses both theoretical and empirical techniques.

A Practical Risk Stratification Approach for Implementing a Primary Care Chronic Disease Management Program in an Underserved Community.

PubMed

Xu, Junjun; Williams-Livingston, Arletha; Gaglioti, Anne; McAllister, Calvin; Rust, George

2018-01-01

The use of value metrics is often dependent on payer-initiated health care management incentives. There is a need for practices to define and manage their own patient panels regardless of payer to participate effectively in population health management. A key step is to define a panel of primary care patients with high comorbidity profiles. Our sample included all patients seen in an urban academic family medicine clinic over a two-year period. The simplified risk stratification was built using internal electronic health record and billing system data based on ICD-9 codes. There were 347 patients classified as high-risk out of the 5,364 patient panel. Average age was 59 years (SD 15). Hypertension (90%), hyperlipidemia (62%), and depression (55%) were the most common conditions among high-risk patients. Simplified risk stratification provides a feasible option for our team to understand and respond to the nuances of population health in our underserved community.

Design of RISC Processor Using VHDL and Cadence

NASA Astrophysics Data System (ADS)

Moslehpour, Saeid; Puliroju, Chandrasekhar; Abu-Aisheh, Akram

The project deals about development of a basic RISC processor. The processor is designed with basic architecture consisting of internal modules like clock generator, memory, program counter, instruction register, accumulator, arithmetic and logic unit and decoder. This processor is mainly used for simple general purpose like arithmetic operations and which can be further developed for general purpose processor by increasing the size of the instruction register. The processor is designed in VHDL by using Xilinx 8.1i version. The present project also serves as an application of the knowledge gained from past studies of the PSPICE program. The study will show how PSPICE can be used to simplify massive complex circuits designed in VHDL Synthesis. The purpose of the project is to explore the designed RISC model piece by piece, examine and understand the Input/ Output pins, and to show how the VHDL synthesis code can be converted to a simplified PSPICE model. The project will also serve as a collection of various research materials about the pieces of the circuit.

Multi-phase CFD modeling of solid sorbent carbon capture system

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

Ryan, E. M.; DeCroix, D.; Breault, R.

2013-07-01

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian–Eulerian and Eulerian–Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian–Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian–Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

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

Ryan, Emily M.; DeCroix, David; Breault, Ronald W.

2013-07-30

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Grid Generation Techniques Utilizing the Volume Grid Manipulator

NASA Technical Reports Server (NTRS)

Alter, Stephen J.

1998-01-01

This paper presents grid generation techniques available in the Volume Grid Manipulation (VGM) code. The VGM code is designed to manipulate existing line, surface and volume grids to improve the quality of the data. It embodies an easy to read rich language of commands that enables such alterations as topology changes, grid adaption and smoothing. Additionally, the VGM code can be used to construct simplified straight lines, splines, and conic sections which are common curves used in the generation and manipulation of points, lines, surfaces and volumes (i.e., grid data). These simple geometric curves are essential in the construction of domain discretizations for computational fluid dynamic simulations. By comparison to previously established methods of generating these curves interactively, the VGM code provides control of slope continuity and grid point-to-point stretchings as well as quick changes in the controlling parameters. The VGM code offers the capability to couple the generation of these geometries with an extensive manipulation methodology in a scripting language. The scripting language allows parametric studies of a vehicle geometry to be efficiently performed to evaluate favorable trends in the design process. As examples of the powerful capabilities of the VGM code, a wake flow field domain will be appended to an existing X33 Venturestar volume grid; negative volumes resulting from grid expansions to enable flow field capture on a simple geometry, will be corrected; and geometrical changes to a vehicle component of the X33 Venturestar will be shown.

Study on the properties of infrared wavefront coding athermal system under several typical temperature gradient distributions

NASA Astrophysics Data System (ADS)

Cai, Huai-yu; Dong, Xiao-tong; Zhu, Meng; Huang, Zhan-hua

2018-01-01

Wavefront coding for athermal technique can effectively ensure the stability of the optical system imaging in large temperature range, as well as the advantages of compact structure and low cost. Using simulation method to analyze the properties such as PSF and MTF of wavefront coding athermal system under several typical temperature gradient distributions has directive function to characterize the working state of non-ideal temperature environment, and can effectively realize the system design indicators as well. In this paper, we utilize the interoperability of data between Solidworks and ZEMAX to simplify the traditional process of structure/thermal/optical integrated analysis. Besides, we design and build the optical model and corresponding mechanical model of the infrared imaging wavefront coding athermal system. The axial and radial temperature gradients of different degrees are applied to the whole system by using SolidWorks software, thus the changes of curvature, refractive index and the distance between the lenses are obtained. Then, we import the deformation model to ZEMAX for ray tracing, and obtain the changes of PSF and MTF in optical system. Finally, we discuss and evaluate the consistency of the PSF (MTF) of the wavefront coding athermal system and the image restorability, which provides the basis and reference for the optimal design of the wavefront coding athermal system. The results show that the adaptability of single material infrared wavefront coding athermal system to axial temperature gradient can reach the upper limit of temperature fluctuation of 60°C, which is much higher than that of radial temperature gradient.

Generating Customized Verifiers for Automatically Generated Code

NASA Technical Reports Server (NTRS)

Denney, Ewen; Fischer, Bernd

2008-01-01

Program verification using Hoare-style techniques requires many logical annotations. We have previously developed a generic annotation inference algorithm that weaves in all annotations required to certify safety properties for automatically generated code. It uses patterns to capture generator- and property-specific code idioms and property-specific meta-program fragments to construct the annotations. The algorithm is customized by specifying the code patterns and integrating them with the meta-program fragments for annotation construction. However, this is difficult since it involves tedious and error-prone low-level term manipulations. Here, we describe an annotation schema compiler that largely automates this customization task using generative techniques. It takes a collection of high-level declarative annotation schemas tailored towards a specific code generator and safety property, and generates all customized analysis functions and glue code required for interfacing with the generic algorithm core, thus effectively creating a customized annotation inference algorithm. The compiler raises the level of abstraction and simplifies schema development and maintenance. It also takes care of some more routine aspects of formulating patterns and schemas, in particular handling of irrelevant program fragments and irrelevant variance in the program structure, which reduces the size, complexity, and number of different patterns and annotation schemas that are required. The improvements described here make it easier and faster to customize the system to a new safety property or a new generator, and we demonstrate this by customizing it to certify frame safety of space flight navigation code that was automatically generated from Simulink models by MathWorks' Real-Time Workshop.

SeSBench - An initiative to benchmark reactive transport models for environmental subsurface processes

NASA Astrophysics Data System (ADS)

Jacques, Diederik

2017-04-01

As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different environmental and geo-engineering applications. SeSBench will organize new workshops to add new benchmarks in a new special issue. Steefel, C. I., et al. (2015). "Reactive transport codes for subsurface environmental simulation." Computational Geosciences 19: 445-478.

A New Non-LTE Model based on Super Configurations

NASA Astrophysics Data System (ADS)

Bar-Shalom, A.; Klapisch, M.

1996-11-01

Non-LTE effects are vital for the simulation of radiation in hot plasmas involving even medium Z materials. However, the exceedingly large number of atomic energy levels forbids using a detailed collisional radiative model on-line in the hydrodynamic simulations. For this purpose, greatly simplified models are required. We implemented recently Busquet's model(M. Busquet, Phys. Fluids B, 5, 4191 (1993)) in NRL's RAD2D Hydro code in conservative form (M. Klapisch et al., Bull. Am. Phys. Soc., 40, 1806 (1995), and poster at this meeting.). This model is quick and the results make sense, but in the absence of precisely defined experiments, it is difficult to asses its accuracy. We present here a new collisional radiative model based on superconfigurations( A. Bar-Shalom, J. Oreg, J. F. Seely, U. Feldman, C. M. Brown, B. A. Hammel, R. W. Lee and C. A. Back, Phys. Rev. E, 52, 6686 (1995).), intended to be a benchmark for approximate models used in hydro-codes. It uses accurate rates from the HULLAC Code. Results for various elements will be presented and compared with RADIOM.

Information reporting by applicable large employers on health insurance coverage offered under employer-sponsored plans. Final regulations.

PubMed

2014-03-10

This document contains final regulations providing guidance toemployers that are subject to the information reporting requirements under section 6056 of the Internal Revenue Code (Code), enacted by the Affordable Care Act (generally employers with at least 50 full-time employees, including full-time equivalent employees). Section 6056 requires those employers to report to the IRS information about the health care coverage, if any, they offered to full-time employees, in order to administer the employer shared responsibility provisions of section 4980H of the Code. Section 6056 also requires those employers to furnish related statements to employees that employees may use to determine whether, for each month of the calendar year, they may claim on their individual tax returns a premium tax credit under section 36B (premium tax credit). The regulations provide for a general reporting method and alternative reporting methods designed to simplify and reduce the cost of reporting for employers subject to the information reporting requirements under section 6056. The regulations affect those employers, employees and other individuals.

Current and planned numerical development for improving computing performance for long duration and/or low pressure transients

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

Faydide, B.

1997-07-01

This paper presents the current and planned numerical development for improving computing performance in case of Cathare applications needing real time, like simulator applications. Cathare is a thermalhydraulic code developed by CEA (DRN), IPSN, EDF and FRAMATOME for PWR safety analysis. First, the general characteristics of the code are presented, dealing with physical models, numerical topics, and validation strategy. Then, the current and planned applications of Cathare in the field of simulators are discussed. Some of these applications were made in the past, using a simplified and fast-running version of Cathare (Cathare-Simu); the status of the numerical improvements obtained withmore » Cathare-Simu is presented. The planned developments concern mainly the Simulator Cathare Release (SCAR) project which deals with the use of the most recent version of Cathare inside simulators. In this frame, the numerical developments are related with the speed up of the calculation process, using parallel processing and improvement of code reliability on a large set of NPP transients.« less

Vrx: a verify-record system for radiotherapy.

PubMed

Dickof, P; Morris, P; Getz, D

1984-01-01

A system of computer programs has been created to allow the entry of radiotherapy treatment details as defined by the physician, the verification of the machine parameters at every treatment, and the recording of the entire course of treatment. Various utility programs are available to simplify the use and maintenance of the system. The majority of the code is written in FORTRAN-77, the remainder in MACRO-11. The system has been implemented on a PDP 11/60 minicomputer for use with a Mevatron linear accelerator, the implementation required minor hardware changes to the accelerator.

A multitasking, multisinked, multiprocessor data acquisition front end

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

Fox, R.; Au, R.; Molen, A.V.

1989-10-01

The authors have developed a generalized data acquisition front end system which is based on MC68020 processors running a commercial real time kernel (rhoSOS), and implemented primarily in a high level language (C). This system has been attached to the back end on-line computing system at NSCL via our high performance ETHERNET protocol. Data may be simultaneously sent to any number of back end systems. Fixed fraction sampling along links to back end computing is also supported. A nonprocedural program generator simplifies the development of experiment specific code.

runDM: Running couplings of Dark Matter to the Standard Model

NASA Astrophysics Data System (ADS)

D'Eramo, Francesco; Kavanagh, Bradley J.; Panci, Paolo

2018-02-01

runDM calculates the running of the couplings of Dark Matter (DM) to the Standard Model (SM) in simplified models with vector mediators. By specifying the mass of the mediator and the couplings of the mediator to SM fields at high energy, the code can calculate the couplings at low energy, taking into account the mixing of all dimension-6 operators. runDM can also extract the operator coefficients relevant for direct detection, namely low energy couplings to up, down and strange quarks and to protons and neutrons.

Integrated Electronic Warfare System Advanced Development Model (ADM); Appendix 1 - Functional Requirement Specification.

DTIC Science & Technology

1977-10-01

APPROVED DATE FUNCTION APPROVED jDATE WRITER J . K-olanek 2/6/76 REVISIONS CHK DESCRIPTION REV CHK DESCRIPTION IREV REVISION jJ ~ ~ ~~~ _ II SHEET NO...DOCUMENT (CDBDD) 45 5.5 COMPUTER PROGRAM PACKAGE (CPP)- j 45 5.6 COMPUTER PROGRAM OPERATOR’S MANUAL (CPOM) 45 5.7 COMPUTER PROGRAM TEST PLAN (CPTPL) 45...I LIST OF FIGURES Number Page 1 JEWS Simplified Block Diagram 4 2 System Controller Architecture 5 SIZE CODE IDENT NO DRAWING NO. A 49956 SCALE REV J

HAL/S programmer's guide. [for space shuttle program

NASA Technical Reports Server (NTRS)

Newbold, P. M.; Hotz, R. L.

1974-01-01

This programming language was developed for the flight software of the NASA space shuttle program. HAL/S is intended to satisfy virtually all of the flight software requirements of the space shuttle. To achieve this, HAL/s incorporates a wide range of features, including applications-oriented data types and organizations, real time control mechanisms, and constructs for systems programming tasks. As the name indicates, HAL/S is a dialect of the original HAL language previously developed. Changes have been incorporated to simplify syntax, curb excessive generality, or facilitate flight code emission.

User's guide for a large signal computer model of the helical traveling wave tube

NASA Technical Reports Server (NTRS)

Palmer, Raymond W.

1992-01-01

The use is described of a successful large-signal, two-dimensional (axisymmetric), deformable disk computer model of the helical traveling wave tube amplifier, an extensively revised and operationally simplified version. We also discuss program input and output and the auxiliary files necessary for operation. Included is a sample problem and its input data and output results. Interested parties may now obtain from the author the FORTRAN source code, auxiliary files, and sample input data on a standard floppy diskette, the contents of which are described herein.

Application of Fuzzy State Aggregation and Policy Hill Climbing to Multi-Agent Systems in Stochastic Environments

DTIC Science & Technology

2006-03-01

represented by the set of tiles that it lies in. A variation on tile coding is Berenji and Vengerov’s [4, 5] use of fuzzy state aggregation (FSA) as a means...approximation with Q-learning is not a new or unusual concept [1, 3]. Berenji and Vengerov [4, 5] advanced this work in their application of Q-learning and... Berenji and Vengerov [4, 5]. The simplified Tileworld consists of agents, reward spikes, and deformations. The agent must select which reward to pursue

Flow of rarefied gases over two-dimensional bodies

NASA Technical Reports Server (NTRS)

Jeng, Duen-Ren; De Witt, Kenneth J.; Keith, Theo G., Jr.; Chung, Chan-Hong

1989-01-01

A kinetic-theory analysis is made of the flow of rarefied gases over two-dimensional bodies of arbitrary curvature. The Boltzmann equation simplified by a model collision integral is written in an arbitrary orthogonal curvilinear coordinate system, and solved by means of finite-difference approximation with the discrete ordinate method. A numerical code is developed which can be applied to any two-dimensional submerged body of arbitrary curvature for the flow regimes from free-molecular to slip at transonic Mach numbers. Predictions are made for the case of a right circular cylinder.

Numerical simulations of internal wave generation by convection in water.

PubMed

Lecoanet, Daniel; Le Bars, Michael; Burns, Keaton J; Vasil, Geoffrey M; Brown, Benjamin P; Quataert, Eliot; Oishi, Jeffrey S

2015-06-01

Water's density maximum at 4°C makes it well suited to study internal gravity wave excitation by convection: an increasing temperature profile is unstable to convection below 4°C, but stably stratified above 4°C. We present numerical simulations of a waterlike fluid near its density maximum in a two-dimensional domain. We successfully model the damping of waves in the simulations using linear theory, provided we do not take the weak damping limit typically used in the literature. To isolate the physical mechanism exciting internal waves, we use the spectral code dedalus to run several simplified model simulations of our more detailed simulation. We use data from the full simulation as source terms in two simplified models of internal-wave excitation by convection: bulk excitation by convective Reynolds stresses, and interface forcing via the mechanical oscillator effect. We find excellent agreement between the waves generated in the full simulation and the simplified simulation implementing the bulk excitation mechanism. The interface forcing simulations overexcite high-frequency waves because they assume the excitation is by the "impulsive" penetration of plumes, which spreads energy to high frequencies. However, we find that the real excitation is instead by the "sweeping" motion of plumes parallel to the interface. Our results imply that the bulk excitation mechanism is a very accurate heuristic for internal-wave generation by convection.

Ionisation Feedback in Star and Cluster Formation Simulations

NASA Astrophysics Data System (ADS)

Ercolano, Barbara; Gritschneder, Matthias

2011-04-01

Feedback from photoionisation may dominate on parsec scales in massive star-forming regions. Such feedback may inhibit or enhance the star formation efficiency and sustain or even drive turbulence in the parent molecular cloud. Photoionisation feedback may also provide a mechanism for the rapid expulsion of gas from young clusters' potentials, often invoked as the main cause of `infant mortality'. There is currently no agreement, however, with regards to the efficiency of this process and how environment may affect the direction (positive or negative) in which it proceeds. The study of the photoionisation process as part of hydrodynamical simulations is key to understanding these issues, however, due to the computational demand of the problem, crude approximations for the radiation transfer are often employed. We will briefly review some of the most commonly used approximations and discuss their major drawbacks. We will then present the results of detailed tests carried out using the detailed photoionisation code mocassin and the SPH+ionisation code iVINE code, aimed at understanding the error introduced by the simplified photoionisation algorithms. This is particularly relevant as a number of new codes have recently been developed along those lines. We will finally propose a new approach that should allow to efficiently and self-consistently treat the photoionisation problem for complex radiation and density fields.

Detached Eddy Simulation of the UH-60 Rotor Wake Using Adaptive Mesh Refinement

NASA Technical Reports Server (NTRS)

Chaderjian, Neal M.; Ahmad, Jasim U.

2012-01-01

Time-dependent Navier-Stokes flow simulations have been carried out for a UH-60 rotor with simplified hub in forward flight and hover flight conditions. Flexible rotor blades and flight trim conditions are modeled and established by loosely coupling the OVERFLOW Computational Fluid Dynamics (CFD) code with the CAMRAD II helicopter comprehensive code. High order spatial differences, Adaptive Mesh Refinement (AMR), and Detached Eddy Simulation (DES) are used to obtain highly resolved vortex wakes, where the largest turbulent structures are captured. Special attention is directed towards ensuring the dual time accuracy is within the asymptotic range, and verifying the loose coupling convergence process using AMR. The AMR/DES simulation produced vortical worms for forward flight and hover conditions, similar to previous results obtained for the TRAM rotor in hover. AMR proved to be an efficient means to capture a rotor wake without a priori knowledge of the wake shape.

The draft genome of Ciona intestinalis: insights into chordate and vertebrate origins.

PubMed

Dehal, Paramvir; Satou, Yutaka; Campbell, Robert K; Chapman, Jarrod; Degnan, Bernard; De Tomaso, Anthony; Davidson, Brad; Di Gregorio, Anna; Gelpke, Maarten; Goodstein, David M; Harafuji, Naoe; Hastings, Kenneth E M; Ho, Isaac; Hotta, Kohji; Huang, Wayne; Kawashima, Takeshi; Lemaire, Patrick; Martinez, Diego; Meinertzhagen, Ian A; Necula, Simona; Nonaka, Masaru; Putnam, Nik; Rash, Sam; Saiga, Hidetoshi; Satake, Masanobu; Terry, Astrid; Yamada, Lixy; Wang, Hong-Gang; Awazu, Satoko; Azumi, Kaoru; Boore, Jeffrey; Branno, Margherita; Chin-Bow, Stephen; DeSantis, Rosaria; Doyle, Sharon; Francino, Pilar; Keys, David N; Haga, Shinobu; Hayashi, Hiroko; Hino, Kyosuke; Imai, Kaoru S; Inaba, Kazuo; Kano, Shungo; Kobayashi, Kenji; Kobayashi, Mari; Lee, Byung-In; Makabe, Kazuhiro W; Manohar, Chitra; Matassi, Giorgio; Medina, Monica; Mochizuki, Yasuaki; Mount, Steve; Morishita, Tomomi; Miura, Sachiko; Nakayama, Akie; Nishizaka, Satoko; Nomoto, Hisayo; Ohta, Fumiko; Oishi, Kazuko; Rigoutsos, Isidore; Sano, Masako; Sasaki, Akane; Sasakura, Yasunori; Shoguchi, Eiichi; Shin-i, Tadasu; Spagnuolo, Antoinetta; Stainier, Didier; Suzuki, Miho M; Tassy, Olivier; Takatori, Naohito; Tokuoka, Miki; Yagi, Kasumi; Yoshizaki, Fumiko; Wada, Shuichi; Zhang, Cindy; Hyatt, P Douglas; Larimer, Frank; Detter, Chris; Doggett, Norman; Glavina, Tijana; Hawkins, Trevor; Richardson, Paul; Lucas, Susan; Kohara, Yuji; Levine, Michael; Satoh, Nori; Rokhsar, Daniel S

2002-12-13

The first chordates appear in the fossil record at the time of the Cambrian explosion, nearly 550 million years ago. The modern ascidian tadpole represents a plausible approximation to these ancestral chordates. To illuminate the origins of chordate and vertebrates, we generated a draft of the protein-coding portion of the genome of the most studied ascidian, Ciona intestinalis. The Ciona genome contains approximately 16,000 protein-coding genes, similar to the number in other invertebrates, but only half that found in vertebrates. Vertebrate gene families are typically found in simplified form in Ciona, suggesting that ascidians contain the basic ancestral complement of genes involved in cell signaling and development. The ascidian genome has also acquired a number of lineage-specific innovations, including a group of genes engaged in cellulose metabolism that are related to those in bacteria and fungi.

The DANTE Boltzmann transport solver: An unstructured mesh, 3-D, spherical harmonics algorithm compatible with parallel computer architectures

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

McGhee, J.M.; Roberts, R.M.; Morel, J.E.

1997-06-01

A spherical harmonics research code (DANTE) has been developed which is compatible with parallel computer architectures. DANTE provides 3-D, multi-material, deterministic, transport capabilities using an arbitrary finite element mesh. The linearized Boltzmann transport equation is solved in a second order self-adjoint form utilizing a Galerkin finite element spatial differencing scheme. The core solver utilizes a preconditioned conjugate gradient algorithm. Other distinguishing features of the code include options for discrete-ordinates and simplified spherical harmonics angular differencing, an exact Marshak boundary treatment for arbitrarily oriented boundary faces, in-line matrix construction techniques to minimize memory consumption, and an effective diffusion based preconditioner formore » scattering dominated problems. Algorithm efficiency is demonstrated for a massively parallel SIMD architecture (CM-5), and compatibility with MPP multiprocessor platforms or workstation clusters is anticipated.« less

BGen: A UML Behavior Network Generator Tool

NASA Technical Reports Server (NTRS)

Huntsberger, Terry; Reder, Leonard J.; Balian, Harry

2010-01-01

BGen software was designed for autogeneration of code based on a graphical representation of a behavior network used for controlling automatic vehicles. A common format used for describing a behavior network, such as that used in the JPL-developed behavior-based control system, CARACaS ["Control Architecture for Robotic Agent Command and Sensing" (NPO-43635), NASA Tech Briefs, Vol. 32, No. 10 (October 2008), page 40] includes a graph with sensory inputs flowing through the behaviors in order to generate the signals for the actuators that drive and steer the vehicle. A computer program to translate Unified Modeling Language (UML) Freeform Implementation Diagrams into a legacy C implementation of Behavior Network has been developed in order to simplify the development of C-code for behavior-based control systems. UML is a popular standard developed by the Object Management Group (OMG) to model software architectures graphically. The C implementation of a Behavior Network is functioning as a decision tree.

Evaluating a Control System Architecture Based on a Formally Derived AOCS Model

NASA Astrophysics Data System (ADS)

Ilic, Dubravka; Latvala, Timo; Varpaaniemi, Kimmo; Vaisanen, Pauli; Troubitsyna, Elena; Laibinis, Linas

2010-08-01

Attitude & Orbit Control System (AOCS) refers to a wider class of control systems which are used to determine and control the attitude of the spacecraft while in orbit, based on the information obtained from various sensors. In this paper, we propose an approach to evaluate a typical (yet somewhat simplified) AOCS architecture using formal development - based on the Event-B method. As a starting point, an Ada specification of the AOCS is translated into a formal specification and further refined to incorporate all the details of its original source code specification. This way we are able not only to evaluate the Ada specification by expressing and verifying specific system properties in our formal models, but also to determine how well the chosen modelling framework copes with the level of detail required for an actual implementation and code generation from the derived models.

Design and Implementation of User-Created Information Systems with Mobile RFID

NASA Astrophysics Data System (ADS)

Lee, Jae Kwoen; Chin, Sungho; Kim, Hee Cheon; Chung, Kwang Sik

RFID (Radio Frequency Identification) has been usually applied at physical distribution field. The Mobile RFID can be the only technology that we can lead the market. In our country, ETRI standardizes MOBION (MOBile Identification ON), and the mobile-telecommunication companies provide the trial-mobile RFID service from 2006. In the trial-mobile RFID services, the Broker model is used to decode the mobile RFID code. However, the Broker model has some problems, such as communication overhead caused by the frequent ODS query, service performance, and various services for users. In this paper, we developed device application that is capable for filtering unrelated code from RFID service to improve the decoding performance. We also improve the performance through simplifying connection process between device application and the broker. Finally, we propose and develop the user-created information system to widely distribute the Mobile RFID service.

High speed corner and gap-seal computations using an LU-SGS scheme

NASA Technical Reports Server (NTRS)

Coirier, William J.

1989-01-01

The hybrid Lower-Upper Symmetric Gauss-Seidel (LU-SGS) algorithm was added to a widely used series of 2D/3D Euler/Navier-Stokes solvers and was demonstrated for a particular class of high-speed flows. A limited study was conducted to compare the hybrid LU-SGS for approximate Newton iteration and diagonalized Beam-Warming (DBW) schemes on a work and convergence history basis. The hybrid LU-SGS algorithm is more efficient and easier to implement than the DBW scheme originally present in the code for the cases considered. The code was validated for the hypersonic flow through two mutually perpendicular flat plates and then used to investigate the flow field in and around a simplified scramjet module gap seal configuration. Due to the similarities, the gap seal flow was compared to hypersonic corner flow at the same freestream conditions and Reynolds number.

Smartfiles: An OO approach to data file interoperability

NASA Technical Reports Server (NTRS)

Haines, Matthew; Mehrotra, Piyush; Vanrosendale, John

1995-01-01

Data files for scientific and engineering codes typically consist of a series of raw data values whose descriptions are buried in the programs that interact with these files. In this situation, making even minor changes in the file structure or sharing files between programs (interoperability) can only be done after careful examination of the data file and the I/O statement of the programs interacting with this file. In short, scientific data files lack self-description, and other self-describing data techniques are not always appropriate or useful for scientific data files. By applying an object-oriented methodology to data files, we can add the intelligence required to improve data interoperability and provide an elegant mechanism for supporting complex, evolving, or multidisciplinary applications, while still supporting legacy codes. As a result, scientists and engineers should be able to share datasets with far greater ease, simplifying multidisciplinary applications and greatly facilitating remote collaboration between scientists.

Automation of Data Traffic Control on DSM Architecture

NASA Technical Reports Server (NTRS)

Frumkin, Michael; Jin, Hao-Qiang; Yan, Jerry

2001-01-01

The design of distributed shared memory (DSM) computers liberates users from the duty to distribute data across processors and allows for the incremental development of parallel programs using, for example, OpenMP or Java threads. DSM architecture greatly simplifies the development of parallel programs having good performance on a few processors. However, to achieve a good program scalability on DSM computers requires that the user understand data flow in the application and use various techniques to avoid data traffic congestions. In this paper we discuss a number of such techniques, including data blocking, data placement, data transposition and page size control and evaluate their efficiency on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks. We also present a tool which automates the detection of constructs causing data congestions in Fortran array oriented codes and advises the user on code transformations for improving data traffic in the application.

PetIGA: A framework for high-performance isogeometric analysis

DOE PAGES

Dalcin, Lisandro; Collier, Nathaniel; Vignal, Philippe; ...

2016-05-25

We present PetIGA, a code framework to approximate the solution of partial differential equations using isogeometric analysis. PetIGA can be used to assemble matrices and vectors which come from a Galerkin weak form, discretized with Non-Uniform Rational B-spline basis functions. We base our framework on PETSc, a high-performance library for the scalable solution of partial differential equations, which simplifies the development of large-scale scientific codes, provides a rich environment for prototyping, and separates parallelism from algorithm choice. We describe the implementation of PetIGA, and exemplify its use by solving a model nonlinear problem. To illustrate the robustness and flexibility ofmore » PetIGA, we solve some challenging nonlinear partial differential equations that include problems in both solid and fluid mechanics. Lastly, we show strong scaling results on up to 4096 cores, which confirm the suitability of PetIGA for large scale simulations.« less

Ensuring the validity of calculated subcritical limits

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

Clark, H.K.

1977-01-01

The care taken at the Savannah River Laboratory and Plant to ensure the validity of calculated subcritical limits is described. Close attention is given to ANSI N16.1-1975, ''Validation of Calculational Methods for Nuclear Criticality Safety.'' The computer codes used for criticality safety computations, which are listed and are briefly described, have been placed in the SRL JOSHUA system to facilitate calculation and to reduce input errors. A driver module, KOKO, simplifies and standardizes input and links the codes together in various ways. For any criticality safety evaluation, correlations of the calculational methods are made with experiment to establish bias. Occasionallymore » subcritical experiments are performed expressly to provide benchmarks. Calculated subcritical limits contain an adequate but not excessive margin to allow for uncertainty in the bias. The final step in any criticality safety evaluation is the writing of a report describing the calculations and justifying the margin.« less

Electron Gyro-Harmonic Effects on Ionospheric Stimulated Brillouin Scatter

DTIC Science & Technology

2014-08-21

27709-2211 Brillouin, SBS, emission lines, pump frequency stepping, cyclotron , EIC, airglow, upper hybrid REPORT DOCUMENTATION PAGE 11. SPONSOR...direction and the background magnetic field vector, the excited electrostatic wave could be either ion acoustic (IA) or electrostatic ion cyclotron (EIC...A. Hedberg, B. Lundborg, P. Stubbe, H. Kopka, and M. T. Rietveld (1989), Stimulated electromagnetic emission near electron cyclotron harmonics in

Preparation of niobium based oxynitride nanosheets by exfoliation of Ruddlesden-Popper phase precursor

NASA Astrophysics Data System (ADS)

da Silva Maia, Ary; Cheviré, François; Demange, Valérie; Bouquet, Valérie; Pasturel, Mathieu; Députier, Stéphanie; Lebullenger, Ronan; Guilloux-Viry, Marylline; Tessier, Franck

2016-04-01

A new oxynitride Ruddlesden-Popper phase K1.6Ca2Nb3O9.4N0.6.1.1H2O was synthesized by the topochemical ammonolysis reaction at 700 °C from the oxide Dion-Jacobson phase KCa2Nb3O10 in the presence of K2CO3. The oxynitride showed good stability with a little loss of nitrogen, even after a few months of exposure to air. Its crystal structure was solved by Rietveld refinement of X-ray powder diffraction data in space group P4/mmm and considering a two-phase mixture, due to the difference in the degree of hydration, with a = 3.894(2) Å and c = 17.90(8) Å for the most hydrated phase and a = 3.927(6) Å and c = 17.09(2) Å for the less one. Optical band gaps were measured by diffuse reflectance in the UV-Visible range indicating a red shift of Eg to the visible region. The oxynitride layered perovskite was then protonated and exfoliated into nanosheets. TEM images and SAED patterns of the nanosheets proved that exfoliation was successful, showing lattice parameters quite compatible with the Rietveld refinement.

Arsenic uptake by gypsum and calcite: Modelling and probing by neutron and X-ray scattering

NASA Astrophysics Data System (ADS)

Fernández-Martínez, A.; Román-Ross, G.; Cuello, G. J.; Turrillas, X.; Charlet, L.; Johnson, M. R.; Bardelli, F.

2006-11-01

Uptaking of contaminants by solid phases is relevant to many issues in environmental science as this process can remove them from solutions and retard their transport into the hydrosphere. Here we report on two structural studies performed on As-doped gypsum (CaSO 4 2H 2O) and calcite (CaCO 3), using neutron (D20-ILL) and X-ray (ID11-ESRF) diffraction data and EXAFS (BM8-ESRF). The aim of this study is to determine whether As gets into the bulk of gypsum and calcite structures or is simply adsorbed on the surface. Different mechanisms of substitution are used as hypotheses. The combined Rietveld analysis of neutron and X-ray diffraction data shows an expansion of the unit cell volume proportional to the As concentration within the samples. DFT-based simulations confirm the increase of the unit cell volume proportional to the amount of carbonate or sulphate groups substituted. Interpolation of the experimental Rietveld data allows us to distinguish As substituted within the structure from that adsorbed on the surface of both minerals. Results obtained by EXAFS analysis from calcite samples show good agreement with the hypothesis of replacement of As into the C crystallographic site.

Effect of vanadium doping on structural and magnetic properties of defective nano-nickel ferrite

NASA Astrophysics Data System (ADS)

Heiba, Zein K.; Mohamed, Mohamed Bakr; Wahba, Adel Maher; Almalowi, M. I.

2018-04-01

Nano-nickel ferrites defected by vanadium doping (NiV x Fe2-1.67 x O4, 0 ≤ x ≤ 0.25) were prepared using a simple sol gel method. Rietveld analysis revealed a nonmonotonic change in lattice parameter, oxygen parameter and magnetization upon doping with vanadium. Cation distributions suggested from either Rietveld analysis or from experimental magnetic moments were in a good agreement. For low doping values ( x = 0.05), vanadium was residing mainly in octahedral sites, while for samples with vanadium content ( x ≥ 0.1) a significant part of vanadium ions resided at tetrahedral sites; a result which has been confirmed by the analysis of Fourier-transform infrared (FTIR) spectrums obtained for the samples. The transmission electron microscope (TEM) image showed fine spherical particles with size of ˜ 11 nm. All samples showed a superparamagnetic nature with a nonmonotonic change of either magnetization ( M S) or coercivity (H C) with the content of nonmagnetic V5+. The cation occupancies indicated presence of an enormous number of vacancies through doping with high valence cation V5+, making present samples potential electrodes for Li- or Na-ion batteries.

Effect of laser welding parameters on the austenite and martensite phase fractions of NiTi

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

Oliveira, J.P., E-mail: jp.oliveira@campus.fct.unl

Although laser welding is probably the most used joining technique for NiTi shape memory alloys there is still a lack of understanding about the effects of laser welding parameters on the microstructural induced changes: in both the heat affected and fusion zones martensite may be present, while the base material is fully austenitic. Synchrotron X-ray diffraction was used for fine probing laser welded NiTi joints. Through Rietveld refinement the martensite and austenite phase fractions were determined and it was observed that the martensite content increases towards the weld centreline. This is related to a change of the local transformation temperaturesmore » on these regions, which occurs due to compositional variation in those regions. The martensite phase fraction in the thermally affected regions may have significant implications on functional properties on these joints. - Highlights: •Synchrotron X-ray diffraction was used for fine probing of the microstructure in laser welded NiTi joints. •Rietveld refinement allowed to determine the content of martensite along the heat affected and fusion zones. •The martensite content increases from the base material towards the weld centreline.« less

Synthesis, Crystal Structure, and Physical Properties of New Layered Oxychalcogenide La2O2Bi3AgS6

NASA Astrophysics Data System (ADS)

Hijikata, Yudai; Abe, Tomohiro; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Goto, Yosuke; Miura, Akira; Tadanaga, Kiyoharu; Wang, Yongming; Miura, Osuke; Mizuguchi, Yoshikazu

2017-12-01

We have synthesized a new layered oxychalcogenide La2O2Bi3AgS6. From synchrotron X-ray diffraction and Rietveld refinement, the crystal structure of La2O2Bi3AgS6 was refined using a model of the P4/nmm space group with a = 4.0644(1) Å and c = 19.412(1) Å, which is similar to the related compound LaOBiPbS3, while the interlayer bonds (M2-S1 bonds) are apparently shorter in La2O2Bi3AgS6. The tunneling electron microscopy (TEM) image confirmed the lattice constant derived from Rietveld refinement (c ˜ 20 Å). The electrical resistivity and Seebeck coefficient suggested that the electronic states of La2O2Bi3AgS6 are more metallic than those of LaOBiS2 and LaOBiPbS3. The insertion of a rock-salt-type chalcogenide into the van der Waals gap of BiS2-based layered compounds, such as LaOBiS2, will be a useful strategy for designing new layered functional materials in the layered chalcogenide family.

Synthesis, Rietveld refinements, Infrared and Raman spectroscopy studies of the sodium diphosphate NaCryFe1-yP2O7 (0 ≤ y ≤ 1)

NASA Astrophysics Data System (ADS)

Bih, H.; Saadoune, I.; Bih, L.; Mansori, M.; ToufiK, H.; Fuess, H.; Ehrenberg, H.

2016-01-01

In the present study we report on the synthesis and crystal structure studies of NaCryFe1-yP2O7 sodium diphosphate solid solution (0 ≤ y ≤ 1). The X-ray diffraction shows that these compounds are isostructural with NaFeP2O7 and NaCrP2O7 (space group P21/c (C2h5) Z = 4). The Rietveld refinements based on the XRD patterns show the existence of a continuous solid solution over the whole composition range (0 ≤ y ≤ 1). A continuous evolution of the monoclinic unit cell parameters was obtained. The transition metal ions (Cr3+ and/or Fe3+) connect the diphosphate anions forming a three-dimensional network with cages filled by Na+ cations. IR and Raman spectra have been interpreted using factor group analysis. A small shift of the band frequencies is observed when Fe is substituted by Cr. The POP bridge angles are determined from Lazarev's relation and agree well with those deduced from the crystal structure refinement.

Next-generation acceleration and code optimization for light transport in turbid media using GPUs

PubMed Central

Alerstam, Erik; Lo, William Chun Yip; Han, Tianyi David; Rose, Jonathan; Andersson-Engels, Stefan; Lilge, Lothar

2010-01-01

A highly optimized Monte Carlo (MC) code package for simulating light transport is developed on the latest graphics processing unit (GPU) built for general-purpose computing from NVIDIA - the Fermi GPU. In biomedical optics, the MC method is the gold standard approach for simulating light transport in biological tissue, both due to its accuracy and its flexibility in modelling realistic, heterogeneous tissue geometry in 3-D. However, the widespread use of MC simulations in inverse problems, such as treatment planning for PDT, is limited by their long computation time. Despite its parallel nature, optimizing MC code on the GPU has been shown to be a challenge, particularly when the sharing of simulation result matrices among many parallel threads demands the frequent use of atomic instructions to access the slow GPU global memory. This paper proposes an optimization scheme that utilizes the fast shared memory to resolve the performance bottleneck caused by atomic access, and discusses numerous other optimization techniques needed to harness the full potential of the GPU. Using these techniques, a widely accepted MC code package in biophotonics, called MCML, was successfully accelerated on a Fermi GPU by approximately 600x compared to a state-of-the-art Intel Core i7 CPU. A skin model consisting of 7 layers was used as the standard simulation geometry. To demonstrate the possibility of GPU cluster computing, the same GPU code was executed on four GPUs, showing a linear improvement in performance with an increasing number of GPUs. The GPU-based MCML code package, named GPU-MCML, is compatible with a wide range of graphics cards and is released as an open-source software in two versions: an optimized version tuned for high performance and a simplified version for beginners (http://code.google.com/p/gpumcml). PMID:21258498

[Data coding in the Israeli healthcare system - do choices provide the answers to our system's needs?].

PubMed

Zelingher, Julian; Ash, Nachman

2013-05-01

The IsraeLi healthcare system has undergone major processes for the adoption of health information technologies (HIT), and enjoys high Levels of utilization in hospital and ambulatory care. Coding is an essential infrastructure component of HIT, and ts purpose is to represent data in a simplified and common format, enhancing its manipulation by digital systems. Proper coding of data enables efficient identification, storage, retrieval and communication of data. UtiLization of uniform coding systems by different organizations enables data interoperability between them, facilitating communication and integrating data elements originating in different information systems from various organizations. Current needs in Israel for heaLth data coding include recording and reporting of diagnoses for hospitalized patients, outpatients and visitors of the Emergency Department, coding of procedures and operations, coding of pathology findings, reporting of discharge diagnoses and causes of death, billing codes, organizational data warehouses and national registries. New national projects for cLinicaL data integration, obligatory reporting of quality indicators and new Ministry of Health (MOH) requirements for HIT necessitate a high Level of interoperability that can be achieved only through the adoption of uniform coding. Additional pressures were introduced by the USA decision to stop the maintenance of the ICD-9-CM codes that are also used by Israeli healthcare, and the adoption of ICD-10-C and ICD-10-PCS as the main coding system for billing purpose. The USA has also mandated utilization of SNOMED-CT as the coding terminology for the ELectronic Health Record problem list, and for reporting quality indicators to the CMS. Hence, the Israeli MOH has recently decided that discharge diagnoses will be reported using ICD-10-CM codes, and SNOMED-CT will be used to code the cLinical information in the EHR. We reviewed the characteristics, strengths and weaknesses of these two coding systems. In summary, the adoption of ICD-10-CM is in line with the USA decision to abandon ICD-9-CM, and the Israeli heaLthcare system could benefit from USA heaLthcare efforts in this direction. The Large content of SNOMED-CT and its sophisticated hierarchical data structure will enable advanced cLinicaL decision support and quality improvement applications.

Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-II

NASA Technical Reports Server (NTRS)

Nguyen, H. L.; Ying, S.-J.

1990-01-01

Numerical solutions of the Jet-A spray combustion were obtained by means of the KIVA-II computer code after Jet-A properties were added to the 12 chemical species the program had initially contained. Three different reaction mechanism models are considered. The first model consists of 131 reactions and 45 species; it is evaluated by comparing calculated ignition delay times with available shock tube data, and it is used in the evaluation of the other two simplified models. The simplified mechanisms consider 45 reactions and 27 species and 5 reactions and 12 species, respectively. In the prediction of pollutants NOx and CO, the full mechanism of 131 reactions is considered to be more reliable. The numerical results indicate that the variation of the maximum flame temperature is within 20 percent as compared with that of the full mechanism of 131 reactions. The chemical compositions of major components such as C3H8, H2O, O2, CO2, and N2 are of the same order of magnitude. However, the concentrations of pollutants are quite different.

Report on FY17 testing in support of integrated EPP-SMT design methods development

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

Wang, Yanli .; Jetter, Robert I.; Sham, T. -L.

The goal of the proposed integrated Elastic Perfectly-Plastic (EPP) and Simplified Model Test (SMT) methodology is to incorporate a SMT data-based approach for creep-fatigue damage evaluation into the EPP methodology to avoid the separate evaluation of creep and fatigue damage and eliminate the requirement for stress classification in current methods; thus greatly simplifying evaluation of elevated temperature cyclic service. The purpose of this methodology is to minimize over-conservatism while properly accounting for localized defects and stress risers. To support the implementation of the proposed methodology and to verify the applicability of the code rules, thermomechanical tests continued in FY17. Thismore » report presents the recent test results for Type 1 SMT specimens on Alloy 617 with long hold times, pressurization SMT on Alloy 617, and two-bar thermal ratcheting test results on SS316H at the temperature range of 405 °C to 705 °C. Preliminary EPP strain range analysis on the two-bar tests are critically evaluated and compared with the experimental results.« less

Visualizing 3-D microscopic specimens

NASA Astrophysics Data System (ADS)

Forsgren, Per-Ola; Majlof, Lars L.

1992-06-01

The confocal microscope can be used in a vast number of fields and applications to gather more information than is possible with a regular light microscope, in particular about depth. Compared to other three-dimensional imaging devices such as CAT, NMR, and PET, the variations of the objects studied are larger and not known from macroscopic dissections. It is therefore important to have several complementary ways of displaying the gathered information. We present a system where the user can choose display techniques such as extended focus, depth coding, solid surface modeling, maximum intensity and other techniques, some of which may be combined. A graphical user interface provides easy and direct control of all input parameters. Motion and stereo are available options. Many three- dimensional imaging devices give recordings where one dimension has different resolution and sampling than the other two which requires interpolation to obtain correct geometry. We have evaluated algorithms with interpolation in object space and in projection space. There are many ways to simplify the geometrical transformations to gain performance. We present results of some ways to simplify the calculations.

Large Angle Transient Dynamics (LATDYN) user's manual

NASA Technical Reports Server (NTRS)

Abrahamson, A. Louis; Chang, Che-Wei; Powell, Michael G.; Wu, Shih-Chin; Bingel, Bradford D.; Theophilos, Paula M.

1991-01-01

A computer code for modeling the large angle transient dynamics (LATDYN) of structures was developed to investigate techniques for analyzing flexible deformation and control/structure interaction problems associated with large angular motions of spacecraft. This type of analysis is beyond the routine capability of conventional analytical tools without simplifying assumptions. In some instances, the motion may be sufficiently slow and the spacecraft (or component) sufficiently rigid to simplify analyses of dynamics and controls by making pseudo-static and/or rigid body assumptions. The LATDYN introduces a new approach to the problem by combining finite element structural analysis, multi-body dynamics, and control system analysis in a single tool. It includes a type of finite element that can deform and rotate through large angles at the same time, and which can be connected to other finite elements either rigidly or through mechanical joints. The LATDYN also provides symbolic capabilities for modeling control systems which are interfaced directly with the finite element structural model. Thus, the nonlinear equations representing the structural model are integrated along with the equations representing sensors, processing, and controls as a coupled system.

Steady flow model user's guide

NASA Astrophysics Data System (ADS)

Doughty, C.; Hellstrom, G.; Tsang, C. F.; Claesson, J.

1984-07-01

Sophisticated numerical models that solve the coupled mass and energy transport equations for nonisothermal fluid flow in a porous medium were used to match analytical results and field data for aquifer thermal energy storage (ATES) systems. As an alternative to the ATES problem the Steady Flow Model (SFM), a simplified but fast numerical model was developed. A steady purely radial flow field is prescribed in the aquifer, and incorporated into the heat transport equation which is then solved numerically. While the radial flow assumption limits the range of ATES systems that can be studied using the SFM, it greatly simplifies use of this code. The preparation of input is quite simple compared to that for a sophisticated coupled mass and energy model, and the cost of running the SFM is far cheaper. The simple flow field allows use of a special calculational mesh that eliminates the numerical dispersion usually associated with the numerical solution of convection problems. The problem is defined, the algorithm used to solve it are outllined, and the input and output for the SFM is described.

A simplified building airflow model for agent concentration prediction.

PubMed

Jacques, David R; Smith, David A

2010-11-01

A simplified building airflow model is presented that can be used to predict the spread of a contaminant agent from a chemical or biological attack. If the dominant means of agent transport throughout the building is an air-handling system operating at steady-state, a linear time-invariant (LTI) model can be constructed to predict the concentration in any room of the building as a result of either an internal or external release. While the model does not capture weather-driven and other temperature-driven effects, it is suitable for concentration predictions under average daily conditions. The model is easily constructed using information that should be accessible to a building manager, supplemented with assumptions based on building codes and standard air-handling system design practices. The results of the model are compared with a popular multi-zone model for a simple building and are demonstrated for building examples containing one or more air-handling systems. The model can be used for rapid concentration prediction to support low-cost placement strategies for chemical and biological detection sensors.

Crack cause analysis of a graphite nozzle throat insert

NASA Astrophysics Data System (ADS)

Sun, Lin; Bao, Futing; Zhao, Yu; Hou, Lian; Hui, Weihua; Zhang, Ning; Shi, Wei

2017-08-01

With an objective to determine the failure cause of a throughout crack at an angle of 45° and a breach during a firing test, a simplified analysis procedure with consideration of the structure gap was established to simulate the thermo-structural response of a nozzle. By neglecting erosion and pyrolysis of the insulating materials and establishing temperature-dependent or anisotropic material models, ANSYS Parameter Design Language codes were written to perform the fully coupled thermal-structural simulation. A Quasi-1D flow was calculated for supplying boundary conditions. Study on mesh independence and time step independence was also conducted to evaluate simulated results. It was found that shortly after ignition, compressive stress in the x direction and tensile stress in the y direction contributed to anomalies. And through contact status analysis, inappropriate gap design was regarded as the origin of the too large stress, which was the primary cause of these anomalies during firing test. Simulation results were in good agreement with firing test results. In addition, the simplified analysis procedure was proven effective. Gap size should be seriously dealt with in the future design.

Research in robust control for hypersonic aircraft

NASA Technical Reports Server (NTRS)

Calise, A. J.

1994-01-01

The research during the third reporting period focused on fixed order robust control design for hypersonic vehicles. A new technique was developed to synthesize fixed order H(sub infinity) controllers. A controller canonical form is imposed on the compensator structure and a homotopy algorithm is employed to perform the controller design. Various reduced order controllers are designed for a simplified version of the hypersonic vehicle model used in our previous studies to demonstrate the capabilities of the code. However, further work is needed to investigate the issue of numerical ill-conditioning for large order systems and to make the numerical approach more reliable.

Analysis of Inlet-Compressor Acoustic Interactions Using Coupled CFD Codes

NASA Technical Reports Server (NTRS)

Suresh, A.; Townsend, S. E.; Cole, G. L.; Slater, J. W.; Chima, R.

1998-01-01

A problem that arises in the numerical simulation of supersonic inlets is the lack of a suitable boundary condition at the engine face. In this paper, a coupled approach, in which the inlet computation is coupled dynamically to a turbomachinery computation, is proposed as a means to overcome this problem. The specific application chosen for validation of this approach is the collapsing bump experiment performed at the University of Cincinnati. The computed results are found to be in reasonable agreement with experimental results. The coupled simulation results could also be used to aid development of a simplified boundary condition.

A Transversely Isotropic Thermoelastic Theory

NASA Technical Reports Server (NTRS)

Arnold, S. M.

1989-01-01

A continuum theory is presented for representing the thermoelastic behavior of composites that can be idealized as transversely isotropic. This theory is consistent with anisotropic viscoplastic theories being developed presently at NASA Lewis Research Center. A multiaxial statement of the theory is presented, as well as plane stress and plane strain reductions. Experimental determination of the required material parameters and their theoretical constraints are discussed. Simple homogeneously stressed elements are examined to illustrate the effect of fiber orientation on the resulting strain distribution. Finally, the multiaxial stress-strain relations are expressed in matrix form to simplify and accelerate implementation of the theory into structural analysis codes.

Democratisation of AAC Symbol Choices Using Technology.

PubMed

Draffan, E A; Wald, Mike; Zeinoun, Nadine; Banes, David

2017-01-01

The use of an online voting system has been developed to enable democratic choices of newly designed symbols to support speech, language and literacy skills in a localisation situation. The system works for those using and supporting Augmentative and Alternative Communication (AAC) symbols on electronic systems by the provision of simplified scales of acceptance and adapted grids. The methodology and results highlighted the importance of user participation at the outset and concrete examples of symbol adaptations that were found necessary to ensure higher levels of user satisfaction. Design changes included appropriate local dress codes, linguistic nuances, social settings, the built environment and religious sensitivities.

Effective algorithm for ray-tracing simulations of lobster eye and similar reflective optical systems

NASA Astrophysics Data System (ADS)

Tichý, Vladimír; Hudec, René; Němcová, Šárka

2016-06-01

The algorithm presented is intended mainly for lobster eye optics. This type of optics (and some similar types) allows for a simplification of the classical ray-tracing procedure that requires great many rays to simulate. The method presented performs the simulation of a only few rays; therefore it is extremely effective. Moreover, to simplify the equations, a specific mathematical formalism is used. Only a few simple equations are used, therefore the program code can be simple as well. The paper also outlines how to apply the method to some other reflective optical systems.

The high hall ventilation with the simplified simulation of the fan

NASA Astrophysics Data System (ADS)

Kyncl, Martin; Pelant, Jaroslav

2018-06-01

Here we work with the system of equations describing the non-stationary compressible turbulent multi-component flow in the gravitational field. We focus on the numerical simulation of the fan situated inside the high hall. The RANS equations are discretized with the use of the finite volume method. The original modification of the Riemann problem and its solution is used at the boundaries. The combination of specific boundary conditions is used for the simulation of the fan. The presented computational results are computed with own-developed code (C, FORTRAN, multiprocessor, unstructured meshes in general).

The low temperature synthesis, characterization and properties of ferroelectrics

NASA Astrophysics Data System (ADS)

Xu, Jie

2000-10-01

PZT 50:50 xerogels prepared by two different sol-gel routes crystallized in a similar fashion to give a mixture of tetragonal and rhombohedral at high temperature (1000°C). Both the diffraction and EXAFS data suggest that the compositional inhomogeneity of the samples prepared by the two routes is similar. The crystallization of CZT gels is complicated. Crystalline CaCO 3 was always detected in the dry gels regardless of the sample composition and preparation methods. At intermediate temperatures a fluorite related phase was always formed and it transformed to perovskite at higher temperatures. The EXAFS data suggest that perovskite CZT samples prepared using alkoxide sol-gel chemistry may not be random solid solutions. All the solution processed ZrTiO4 materials crystallized in the range 600--700°C. The KTN samples prepared using a conventional alkoxide sol-gel route crystallized completely to perovskite at lower temperatures than those prepared using prehydrolyzed precursors. The EXAFS data for the KTN samples prepared using a conventional alkoxide sol-gel route are consistent with a random distribution of tantalum and niobium in the solid solution. However, materials prepared using the inhomogeneous sol-gel route and by the direct reaction of mixed oxides were shown to be compositionally inhomogeneous. The heterogeneity could not be removed by regrinding and heating the mixed oxide samples several times. K2Ta4-xNbxO11 (x = 0, 2, 4) samples were prepared using alkoxide sol-gel chemistry and their crystallization was examined by powder X-ray diffraction. A Rietveld structure analysis of the pyrochlore formed from a gel with bulk composition K2Ta 2Nb2O11 indicated that it was rich in potassium relative to the bulk sample. On heating to high temperatures tetragonal tungsten bronzes were formed. A Rietveld analysis was also performed for K2Ta 2Nb2O11 with tetragonal tungsten bronze structure. The defect pyrochlores "AgTaO3" and GaTaO 3 were synthesized by ion-exchange using pyrochlore KTaO3 as a starting material. The structures of the pyrochlores were examined using the Rietveld method. The pyrochlore-to-perovskite transformations were also explored.

Microstructure characterization and phase transformation kinetic study of ball-milled m-ZrO 2-30 mol% a-TiO 2 mixture by Rietveld method

NASA Astrophysics Data System (ADS)

Pradhan, S. K.; Dutta, H.

2005-05-01

High-energy ball milling of monoclinic ZrO 2-30 mol% anatase TiO 2 mixture at different durations results in the formation of m-ZrO 2-a-TiO 2 solid solution from which the nucleation of nanocrystalline cubic (c) ZrO 2 polymorphic phase sets in. Post-annealing of 12 h ball-milled sample at different elevated temperatures for 1 h results in almost complete formation of c-ZrO 2 phase. Microstructure of the unmilled, all the ball milled and annealed samples has been characterized by Rietveld's X-ray powder structure refinement method. Particle size, rms lattice strain, change in lattice parameters and phase content of individual phases have been estimated from Rietveld analysis, and are utilized to interpret the results. In course of milling, (1 1 1) of cubic lattice became parallel to ( 1bar 1 1) plane of monoclinic lattice due to the orientation effect and cubic phase may have been formed on the (0 0 1) of the m-ZrO 2-a-TiO 2 solid solution lattice. A comparative study of microstructure and phase transformation kinetics of ZrO 2-10, 20 and 30 mol% a-TiO 2 ball-milled and post-annealed samples reveals that rate of phase transformation m→c-ZrO 2 increases with increasing a-TiO 2 concentration and ∼30 mol% of nanocrystalline c-ZrO 2 phase can be obtained within 4 h of milling time in the presence of 30 mol% of a-TiO 2. The post-annealing treatment at 773, 873 and 973 K for 1 h duration each reveals that rate of c-ZrO 2 formation with increasing temperature is retarded with increasing a-TiO 2 concentration but the amount of c-ZrO 2 becomes almost equal (∼95 mol%) at 973 K. It suggests that almost fully stabilized nanocrystalline c-ZrO 2 can be formed by adding a tetravalent solute to m-ZrO 2.

Base heating methodology improvements, volume 1

NASA Technical Reports Server (NTRS)

Bender, Robert L.; Reardon, John E.; Somers, Richard E.; Fulton, Michael S.; Smith, Sheldon D.; Pergament, Harold

1992-01-01

This document is the final report for NASA MSFC Contract NAS8-38141. The contracted effort had the broad objective of improving the launch vehicles ascent base heating methodology to improve and simplify the determination of that environment for Advanced Launch System (ALS) concepts. It was pursued as an Advanced Development Plan (ADP) for the Joint DoD/NASA ALS program office with project management assigned to NASA/MSFC. The original study was to be completed in 26 months beginning Sep. 1989. Because of several program changes and emphasis on evolving launch vehicle concepts, the period of performance was extended to the current completion date of Nov. 1992. A computer code incorporating the methodology improvements into a quick prediction tool was developed and is operational for basic configuration and propulsion concepts. The code and its users guide are also provided as part of the contract documentation. Background information describing the specific objectives, limitations, and goals of the contract is summarized. A brief chronology of the ALS/NLS program history is also presented to provide the reader with an overview of the many variables influencing the development of the code over the past three years.

Behaviour of Reinforced Concrete Columns of Various Cross-Sections Subjected to Fire

NASA Astrophysics Data System (ADS)

Balaji, Aneesha; Muhamed Luquman, K.; Nagarajan, Praveen; Madhavan Pillai, T. M.

2016-09-01

Fire resistance is one of the crucial design regulations which are now mandatory in most of the design codes. Therefore, a thorough knowledge of behaviour of structures exposed to fire is required in this aspect. Columns are the most vulnerable structural member to fire as it can be exposed to fire from all sides. However, the data available for fire resistant design for columns are limited. Hence the present work is focused on the effect of cross-sectional shape of column in fire resistance design. The various cross-sections considered are Square, Ell (L), Tee (T), and Plus (`+') shape. Also the effect of size and shape and distribution of steel reinforcement on fire resistance of columns is studied. As the procedure for determining fire resistance is not mentioned in Indian Standard code IS 456 (2000), the simplified method (500 °C isotherm method) recommended in EN 1992-1-2:2004 (E) (Eurocode 2) is adopted. The temperature profiles for various cross-sections are developed using finite element method and these profiles are used to predict fire resistance capability of compression members. The fire resistance based on both numerical and code based methods are evaluated and compared for various types of cross-section.

SPLASH program for three dimensional fluid dynamics with free surface boundaries

NASA Astrophysics Data System (ADS)

Yamaguchi, A.

1996-05-01

This paper describes a three dimensional computer program SPLASH that solves Navier-Stokes equations based on the Arbitrary Lagrangian Eulerian (ALE) finite element method. SPLASH has been developed for application to the fluid dynamics problems including the moving boundary of a liquid metal cooled Fast Breeder Reactor (FBR). To apply SPLASH code to the free surface behavior analysis, a capillary model using a cubic Spline function has been developed. Several sample problems, e.g., free surface oscillation, vortex shedding development, and capillary tube phenomena, are solved to verify the computer program. In the analyses, the numerical results are in good agreement with the theoretical value or experimental observance. Also SPLASH code has been applied to an analysis of a free surface sloshing experiment coupled with forced circulation flow in a rectangular tank. This is a simplified situation of the flow field in a reactor vessel of the FBR. The computational simulation well predicts the general behavior of the fluid flow inside and the free surface behavior. Analytical capability of the SPLASH code has been verified in this study and the application to more practical problems such as FBR design and safety analysis is under way.

Compressional Alfvén eigenmodes in rotating spherical tokamak plasmas

DOE PAGES

Smith, H. M.; Fredrickson, E. D.

2017-02-07

Spherical tokamaks often have a considerable toroidal plasma rotation of several tens of kHz. Compressional Alfvén eigenmodes in such devices therefore experience a frequency shift, which if the plasma were rotating as a rigid body, would be a simple Doppler shift. However, since the rotation frequency depends on minor radius, the eigenmodes are affected in a more complicated way. The eigenmode solver CAE3B (Smith et al 2009 Plasma Phys. Control. Fusion 51 075001) has been extended to account for toroidal plasma rotation. The results show that the eigenfrequency shift due to rotation can be approximated by a rigid body rotationmore » with a frequency computed from a spatial average of the real rotation profile weighted with the eigenmode amplitude. To investigate the effect of extending the computational domain to the vessel wall, a simplified eigenmode equation, yet retaining plasma rotation, is solved by a modified version of the CAE code used in Fredrickson et al (2013 Phys. Plasmas 20 042112). Lastly, both solving the full eigenmode equation, as in the CAE3B code, and placing the boundary at the vessel wall, as in the CAE code, significantly influences the calculated eigenfrequencies.« less

Description and availability of the SMARTS spectral model for photovoltaic applications

NASA Astrophysics Data System (ADS)

Myers, Daryl R.; Gueymard, Christian A.

2004-11-01

Limited spectral response range of photocoltaic (PV) devices requires device performance be characterized with respect to widely varying terrestrial solar spectra. The FORTRAN code "Simple Model for Atmospheric Transmission of Sunshine" (SMARTS) was developed for various clear-sky solar renewable energy applications. The model is partly based on parameterizations of transmittance functions in the MODTRAN/LOWTRAN band model family of radiative transfer codes. SMARTS computes spectra with a resolution of 0.5 nanometers (nm) below 400 nm, 1.0 nm from 400 nm to 1700 nm, and 5 nm from 1700 nm to 4000 nm. Fewer than 20 input parameters are required to compute spectral irradiance distributions including spectral direct beam, total, and diffuse hemispherical radiation, and up to 30 other spectral parameters. A spreadsheet-based graphical user interface can be used to simplify the construction of input files for the model. The model is the basis for new terrestrial reference spectra developed by the American Society for Testing and Materials (ASTM) for photovoltaic and materials degradation applications. We describe the model accuracy, functionality, and the availability of source and executable code. Applications to PV rating and efficiency and the combined effects of spectral selectivity and varying atmospheric conditions are briefly discussed.

Application of unsteady aeroelastic analysis techniques on the national aerospace plane

NASA Technical Reports Server (NTRS)

Pototzky, Anthony S.; Spain, Charles V.; Soistmann, David L.; Noll, Thomas E.

1988-01-01

A presentation provided at the Fourth National Aerospace Plane Technology Symposium held in Monterey, California, in February 1988 is discussed. The objective is to provide current results of ongoing investigations to develop a methodology for predicting the aerothermoelastic characteristics of NASP-type (hypersonic) flight vehicles. Several existing subsonic and supersonic unsteady aerodynamic codes applicable to the hypersonic class of flight vehicles that are generally available to the aerospace industry are described. These codes were evaluated by comparing calculated results with measured wind-tunnel aeroelastic data. The agreement was quite good in the subsonic speed range but showed mixed agreement in the supersonic range. In addition, a future endeavor to extend the aeroelastic analysis capability to hypersonic speeds is outlined. An investigation to identify the critical parameters affecting the aeroelastic characteristics of a hypersonic vehicle, to define and understand the various flutter mechanisms, and to develop trends for the important parameters using a simplified finite element model of the vehicle is summarized. This study showed the value of performing inexpensive and timely aeroelastic wind-tunnel tests to expand the experimental data base required for code validation using simple to complex models that are representative of the NASP configurations and root boundary conditions are discussed.

Supporting the Cybercrime Investigation Process: Effective Discrimination of Source Code Authors Based on Byte-Level Information

NASA Astrophysics Data System (ADS)

Frantzeskou, Georgia; Stamatatos, Efstathios; Gritzalis, Stefanos

Source code authorship analysis is the particular field that attempts to identify the author of a computer program by treating each program as a linguistically analyzable entity. This is usually based on other undisputed program samples from the same author. There are several cases where the application of such a method could be of a major benefit, such as tracing the source of code left in the system after a cyber attack, authorship disputes, proof of authorship in court, etc. In this paper, we present our approach which is based on byte-level n-gram profiles and is an extension of a method that has been successfully applied to natural language text authorship attribution. We propose a simplified profile and a new similarity measure which is less complicated than the algorithm followed in text authorship attribution and it seems more suitable for source code identification since is better able to deal with very small training sets. Experiments were performed on two different data sets, one with programs written in C++ and the second with programs written in Java. Unlike the traditional language-dependent metrics used by previous studies, our approach can be applied to any programming language with no additional cost. The presented accuracy rates are much better than the best reported results for the same data sets.

Genomics dataset on unclassified published organism (patent US 7547531).

PubMed

Khan Shawan, Mohammad Mahfuz Ali; Hasan, Md Ashraful; Hossain, Md Mozammel; Hasan, Md Mahmudul; Parvin, Afroza; Akter, Salina; Uddin, Kazi Rasel; Banik, Subrata; Morshed, Mahbubul; Rahman, Md Nazibur; Rahman, S M Badier

2016-12-01

Nucleotide (DNA) sequence analysis provides important clues regarding the characteristics and taxonomic position of an organism. With the intention that, DNA sequence analysis is very crucial to learn about hierarchical classification of that particular organism. This dataset (patent US 7547531) is chosen to simplify all the complex raw data buried in undisclosed DNA sequences which help to open doors for new collaborations. In this data, a total of 48 unidentified DNA sequences from patent US 7547531 were selected and their complete sequences were retrieved from NCBI BioSample database. Quick response (QR) code of those DNA sequences was constructed by DNA BarID tool. QR code is useful for the identification and comparison of isolates with other organisms. AT/GC content of the DNA sequences was determined using ENDMEMO GC Content Calculator, which indicates their stability at different temperature. The highest GC content was observed in GP445188 (62.5%) which was followed by GP445198 (61.8%) and GP445189 (59.44%), while lowest was in GP445178 (24.39%). In addition, New England BioLabs (NEB) database was used to identify cleavage code indicating the 5, 3 and blunt end and enzyme code indicating the methylation site of the DNA sequences was also shown. These data will be helpful for the construction of the organisms' hierarchical classification, determination of their phylogenetic and taxonomic position and revelation of their molecular characteristics.

CO-FIRING COAL: FEEDLOT AND LITTER BIOMASS FUELS

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

Dr. Kalyan Annamalai; Dr. John Sweeten; Dr. Sayeed Mukhtar

2000-10-24

The following are proposed activities for quarter 1 (6/15/00-9/14/00): (1) Finalize the allocation of funds within TAMU to co-principal investigators and the final task lists; (2) Acquire 3 D computer code for coal combustion and modify for cofiring Coal:Feedlot biomass and Coal:Litter biomass fuels; (3) Develop a simple one dimensional model for fixed bed gasifier cofired with coal:biomass fuels; and (4) Prepare the boiler burner for reburn tests with feedlot biomass fuels. The following were achieved During Quarter 5 (6/15/00-9/14/00): (1) Funds are being allocated to co-principal investigators; task list from Prof. Mukhtar has been received (Appendix A); (2) Ordermore » has been placed to acquire Pulverized Coal gasification and Combustion 3 D (PCGC-3) computer code for coal combustion and modify for cofiring Coal: Feedlot biomass and Coal: Litter biomass fuels. Reason for selecting this code is the availability of source code for modification to include biomass fuels; (3) A simplified one-dimensional model has been developed; however convergence had not yet been achieved; and (4) The length of the boiler burner has been increased to increase the residence time. A premixed propane burner has been installed to simulate coal combustion gases. First coal, as a reburn fuel will be used to generate base line data followed by methane, feedlot and litter biomass fuels.« less

Development of a dynamic coupled hydro-geomechanical code and its application to induced seismicity

NASA Astrophysics Data System (ADS)

Miah, Md Mamun

This research describes the importance of a hydro-geomechanical coupling in the geologic sub-surface environment from fluid injection at geothermal plants, large-scale geological CO2 sequestration for climate mitigation, enhanced oil recovery, and hydraulic fracturing during wells construction in the oil and gas industries. A sequential computational code is developed to capture the multiphysics interaction behavior by linking a flow simulation code TOUGH2 and a geomechanics modeling code PyLith. Numerical formulation of each code is discussed to demonstrate their modeling capabilities. The computational framework involves sequential coupling, and solution of two sub-problems- fluid flow through fractured and porous media and reservoir geomechanics. For each time step of flow calculation, pressure field is passed to the geomechanics code to compute effective stress field and fault slips. A simplified permeability model is implemented in the code that accounts for the permeability of porous and saturated rocks subject to confining stresses. The accuracy of the TOUGH-PyLith coupled simulator is tested by simulating Terzaghi's 1D consolidation problem. The modeling capability of coupled poroelasticity is validated by benchmarking it against Mandel's problem. The code is used to simulate both quasi-static and dynamic earthquake nucleation and slip distribution on a fault from the combined effect of far field tectonic loading and fluid injection by using an appropriate fault constitutive friction model. Results from the quasi-static induced earthquake simulations show a delayed response in earthquake nucleation. This is attributed to the increased total stress in the domain and not accounting for pressure on the fault. However, this issue is resolved in the final chapter in simulating a single event earthquake dynamic rupture. Simulation results show that fluid pressure has a positive effect on slip nucleation and subsequent crack propagation. This is confirmed by running a sensitivity analysis that shows an increase in injection well distance results in delayed slip nucleation and rupture propagation on the fault.

Current Development Status of an Integrated Tool for Modeling Quasi-static Deformation in the Solid Earth

NASA Astrophysics Data System (ADS)

Williams, C. A.; Dicaprio, C.; Simons, M.

2003-12-01

With the advent of projects such as the Plate Boundary Observatory and future InSAR missions, spatially dense geodetic data of high quality will provide an increasingly detailed picture of the movement of the earth's surface. To interpret such information, powerful and easily accessible modeling tools are required. We are presently developing such a tool that we feel will meet many of the needs for evaluating quasi-static earth deformation. As a starting point, we begin with a modified version of the finite element code TECTON, which has been specifically designed to solve tectonic problems involving faulting and viscoelastic/plastic earth behavior. As our first priority, we are integrating the code into the GeoFramework, which is an extension of the Python-based Pyre modeling framework. The goal of this framework is to provide simplified user interfaces for powerful modeling codes, to provide easy access to utilities such as meshers and visualization tools, and to provide a tight integration between different modeling tools so they can interact with each other. The initial integration of the code into this framework is essentially complete, and a more thorough integration, where Python-based drivers control the entire solution, will be completed in the near future. We have an evolving set of priorities that we expect to solidify as we receive more input from the modeling community. Current priorities include the development of linear and quadratic tetrahedral elements, the development of a parallelized version of the code using the PETSc libraries, the addition of more complex rheologies, realistic fault friction models, adaptive time stepping, and spherical geometries. In this presentation we describe current progress toward our various priorities, briefly describe the structure of the code within the GeoFramework, and demonstrate some sample applications.

Unified method of knowledge representation in the evolutionary artificial intelligence systems

NASA Astrophysics Data System (ADS)

Bykov, Nickolay M.; Bykova, Katherina N.

2003-03-01

The evolution of artificial intelligence systems called by complicating of their operation topics and science perfecting has resulted in a diversification of the methods both the algorithms of knowledge representation and usage in these systems. Often by this reason it is very difficult to design the effective methods of knowledge discovering and operation for such systems. In the given activity the authors offer a method of unitized representation of the systems knowledge about objects of an external world by rank transformation of their descriptions, made in the different features spaces: deterministic, probabilistic, fuzzy and other. The proof of a sufficiency of the information about the rank configuration of the object states in the features space for decision making is presented. It is shown that the geometrical and combinatorial model of the rank configurations set introduce their by group of some system of incidence, that allows to store the information on them in a convolute kind. The method of the rank configuration description by the DRP - code (distance rank preserving code) is offered. The problems of its completeness, information capacity, noise immunity and privacy are reviewed. It is shown, that the capacity of a transmission channel for such submission of the information is more than unit, as the code words contain the information both about the object states, and about the distance ranks between them. The effective algorithm of the data clustering for the object states identification, founded on the given code usage, is described. The knowledge representation with the help of the rank configurations allows to unitize and to simplify algorithms of the decision making by fulfillment of logic operations above the DRP - code words. Examples of the proposed clustering techniques operation on the given samples set, the rank configuration of resulted clusters and its DRP-codes are presented.

3D unstructured-mesh radiation transport codes

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

Morel, J.

1997-12-31

Three unstructured-mesh radiation transport codes are currently being developed at Los Alamos National Laboratory. The first code is ATTILA, which uses an unstructured tetrahedral mesh in conjunction with standard Sn (discrete-ordinates) angular discretization, standard multigroup energy discretization, and linear-discontinuous spatial differencing. ATTILA solves the standard first-order form of the transport equation using source iteration in conjunction with diffusion-synthetic acceleration of the within-group source iterations. DANTE is designed to run primarily on workstations. The second code is DANTE, which uses a hybrid finite-element mesh consisting of arbitrary combinations of hexahedra, wedges, pyramids, and tetrahedra. DANTE solves several second-order self-adjoint forms of the transport equation including the even-parity equation, the odd-parity equation, and a new equation called the self-adjoint angular flux equation. DANTE also offers three angular discretization options:more » $$S{_}n$$ (discrete-ordinates), $$P{_}n$$ (spherical harmonics), and $$SP{_}n$$ (simplified spherical harmonics). DANTE is designed to run primarily on massively parallel message-passing machines, such as the ASCI-Blue machines at LANL and LLNL. The third code is PERICLES, which uses the same hybrid finite-element mesh as DANTE, but solves the standard first-order form of the transport equation rather than a second-order self-adjoint form. DANTE uses a standard $$S{_}n$$ discretization in angle in conjunction with trilinear-discontinuous spatial differencing, and diffusion-synthetic acceleration of the within-group source iterations. PERICLES was initially designed to run on workstations, but a version for massively parallel message-passing machines will be built. The three codes will be described in detail and computational results will be presented.« less

Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

Summary of Simplified Two Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydrogen/Oxygen

NASA Technical Reports Server (NTRS)

Marek, C. John; Molnar, Melissa

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (greater than l x 10(exp -20)) moles per cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T(sub 4)). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/Air fuel and for H2/O2. A similar correlation is also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T(sub 4)) as a function of overall fuel/air ratio, pressure and initial temperature (T(sub 3)). High values of the regression coefficient R squared are obtained.

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE PAGES

Liu, Hao; Liu, Haodong; Lapidus, Saul H.; ...

2017-06-21

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

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

Liu, Hao; Liu, Haodong; Lapidus, Saul H.

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Trithallium hydrogen bis(sulfate), Tl(3)H(SO(4))(2), in the super-ionic phase by X-ray powder diffraction.

PubMed

Matsuo, Yasumitsu; Kawachi, Shinya; Shimizu, Yuya; Ikehata, Seiichiro

2002-07-01

The structure of trithallium hydrogen bis(sulfate), Tl(3)H(SO(4))(2), in the super-ionic phase has been analyzed by Rietveld analysis of the X-ray powder diffraction pattern. Atomic parameters based on the isotypic Rb(3)H(SeO(4))(2) crystal in space group R3m in the super-ionic phase were used as the starting model, because it has been shown from the comparison of thermal and electric properties in Tl(3)H(SO(4))(2) and M(3)H(SO(4))(2) type crystals (M = Rb, Cs or NH(4)) that the room-temperature Tl(3)H(SO(4))(2) phase is isostructural with the high-temperature R3m-symmetry M(3)H(SO(4))(2) crystals. The structure was determined in the trigonal space group R3m and the Rietveld refinement shows that an hydrogen-bond O-H...O separation is slightly shortened compared with O-H...O separations in isotypic M(3)H(SeO(4))(2) crystals. In addition, it was found that the distortion of the SO(4) tetrahedra in Tl(3)H(SO(4))(2) is less than that in isotypic crystals.

Ba0.06(Na,Bi)0.94Ti1-x(Ni1/3Nb2/3)xO3 ceramics: X-ray diffraction and infrared spectroscopy studies

NASA Astrophysics Data System (ADS)

Mishra, R. K.; Prasad, Ashutosh; Chandra, K. P.; Prasad, K.

2018-05-01

Non-lead ceramic samples of Ba0.06(Na0.5Bi0.5)0.94Ti1-x(Ni1/3Nb2/3)xO3; 0 ≤ x ≤ 1.0 were prepared by standard high temperature ceramic synthesis method. Rietveld refinements of X-ray diffraction data of these ceramics were carried out using FullProf software and determined their crystal symmetry, space group and unit cell dimensions. Rietveld refinement revealed that Ba0.06(Na0.5Bi0.5)0.94TiO3 has a monoclinic structure with space group P4/m while B0.06(Na0.5Bi0.5)0.94(Ni1/3Nb2/3)O3 has tetragonal (pseudo-cubic) structure with space group P4/mmm. Partial replacement of Ti4+ ion by pseudo-cation (Ni1/33 +Nb2/3 5 +) 4 + resulted in the change of unit cell structure from monoclinic to tetragonal. SEM studies were carried out in order to access the quality of the prepared ceramics which showed a change in grain sizes with the increase of (Ni1/33 +Nb2/3 5 +) 4 + content. FTIR spectra confirmed the formation of perovskite type solid solutions.

The first X-ray diffraction measurements on Mars.

PubMed

Bish, David; Blake, David; Vaniman, David; Sarrazin, Philippe; Bristow, Thomas; Achilles, Cherie; Dera, Przemyslaw; Chipera, Steve; Crisp, Joy; Downs, R T; Farmer, Jack; Gailhanou, Marc; Ming, Doug; Morookian, John Michael; Morris, Richard; Morrison, Shaunna; Rampe, Elizabeth; Treiman, Allan; Yen, Albert

2014-11-01

The Mars Science Laboratory landed in Gale crater on Mars in August 2012, and the Curiosity rover then began field studies on its drive toward Mount Sharp, a central peak made of ancient sediments. CheMin is one of ten instruments on or inside the rover, all designed to provide detailed information on the rocks, soils and atmosphere in this region. CheMin is a miniaturized X-ray diffraction/X-ray fluorescence (XRD/XRF) instrument that uses transmission geometry with an energy-discriminating CCD detector. CheMin uses onboard standards for XRD and XRF calibration, and beryl:quartz mixtures constitute the primary XRD standards. Four samples have been analysed by CheMin, namely a soil sample, two samples drilled from mudstones and a sample drilled from a sandstone. Rietveld and full-pattern analysis of the XRD data reveal a complex mineralogy, with contributions from parent igneous rocks, amorphous components and several minerals relating to aqueous alteration. In particular, the mudstone samples all contain one or more phyllosilicates consistent with alteration in liquid water. In addition to quantitative mineralogy, Rietveld refinements also provide unit-cell parameters for the major phases, which can be used to infer the chemical compositions of individual minerals and, by difference, the composition of the amorphous component.

Multidataset Refinement Resonant Diffraction, and Magnetic Structures

PubMed Central

Attfield, J. Paul

2004-01-01

The scope of Rietveld and other powder diffraction refinements continues to expand, driven by improvements in instrumentation, methodology and software. This will be illustrated by examples from our research in recent years. Multidataset refinement is now commonplace; the datasets may be from different detectors, e.g., in a time-of-flight experiment, or from separate experiments, such as at several x-ray energies giving resonant information. The complementary use of x rays and neutrons is exemplified by a recent combined refinement of the monoclinic superstructure of magnetite, Fe3O4, below the 122 K Verwey transition, which reveals evidence for Fe2+/Fe3+ charge ordering. Powder neutron diffraction data continue to be used for the solution and Rietveld refinement of magnetic structures. Time-of-flight instruments on cold neutron sources can produce data that have a high intensity and good resolution at high d-spacings. Such profiles have been used to study incommensurate magnetic structures such as FeAsO4 and β–CrPO4. A multiphase, multidataset refinement of the phase-separated perovskite (Pr0.35Y0.07Th0.04Ca0.04Sr0.5)MnO3 has been used to fit three components with different crystal and magnetic structures at low temperatures. PMID:27366599

Structure and decomposition of the silver formate Ag(HCO{sub 2})

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

Puzan, Anna N., E-mail: anna_puzan@mail.ru; Baumer, Vyacheslav N.; Mateychenko, Pavel V.

Crystal structure of the silver formate Ag(HCO{sub 2}) has been determined (orthorhombic, sp.gr. Pccn, a=7.1199(5), b=10.3737(4), c=6.4701(3)Å, V=477.88(4) Å{sup 3}, Z=8). The structure contains isolated formate ions and the pairs Ag{sub 2}{sup 2+} which form the layers in (001) planes (the shortest Ag–Ag distances is 2.919 in the pair and 3.421 and 3.716 Å between the nearest Ag atoms of adjacent pairs). Silver formate is unstable compound which decompose spontaneously vs time. Decomposition was studied using Rietveld analysis of the powder diffraction patterns. It was concluded that the diffusion of Ag atoms leads to the formation of plate-like metal particlesmore » as nuclei in the (100) planes which settle parallel to (001) planes of the silver formate matrix. - Highlights: • Silver formate Ag(HCO{sub 2}) was synthesized and characterized. • Layered packing of Ag-Ag pairs in the structure was found. • Decomposition of Ag(HCO{sub 2}) and formation of metal phase were studied. • Rietveld-refined micro-structural characteristics during decomposition reveal the space relationship between the matrix structure and forming Ag phase REPLACE with: Space relationship between the matrix structure and forming Ag phase.« less

The fast non-LTE code DEDALE

NASA Astrophysics Data System (ADS)

Gilleron, Franck; Piron, Robin

2015-12-01

We present Dédale, a fast code implementing a simplified non-local-thermodynamic-equilibrium (NLTE) plasma model. In this approach, the stationary collisional-radiative rates equations are solved for a set of well-chosen Layzer complexes in order to determine the ion state populations. The electronic structure is approximated using the screened hydrogenic model (SHM) of More with relativistic corrections. The radiative and collisional cross-sections are based on Kramers and Van Regemorter formula, respectively, which are extrapolated to derive analytical expressions for all the rates. The latter are improved thereafter using Gaunt factors or more accurate tabulated data. Special care is taken for dielectronic rates which are compared and rescaled with quantum calculations from the Averroès code. The emissivity and opacity spectra are calculated under the same assumptions as for the radiative rates, either in a detailed manner by summing the transitions between each pair of complexes, or in a coarser statistical way by summing the one-electron transitions averaged over the complexes. Optionally, nℓ-splitting can be accounted for using a WKB approach in an approximate potential reconstructed analytically from the screened charges. It is also possible to improve the spectra by replacing some transition arrays with more accurate data tabulated using the SCO-RCG or FAC codes. This latter option is particularly useful for K-shell emission spectroscopy. The Dédale code was used to submit neon and tungsten cases in the last NLTE-8 workshop (Santa Fe, November 4-8, 2013). Some of these results are presented, as well as comparisons with Averroès calculations.

Networks for image acquisition, processing and display

NASA Technical Reports Server (NTRS)

Ahumada, Albert J., Jr.

1990-01-01

The human visual system comprises layers of networks which sample, process, and code images. Understanding these networks is a valuable means of understanding human vision and of designing autonomous vision systems based on network processing. Ames Research Center has an ongoing program to develop computational models of such networks. The models predict human performance in detection of targets and in discrimination of displayed information. In addition, the models are artificial vision systems sharing properties with biological vision that has been tuned by evolution for high performance. Properties include variable density sampling, noise immunity, multi-resolution coding, and fault-tolerance. The research stresses analysis of noise in visual networks, including sampling, photon, and processing unit noises. Specific accomplishments include: models of sampling array growth with variable density and irregularity comparable to that of the retinal cone mosaic; noise models of networks with signal-dependent and independent noise; models of network connection development for preserving spatial registration and interpolation; multi-resolution encoding models based on hexagonal arrays (HOP transform); and mathematical procedures for simplifying analysis of large networks.

Research on performance of three-layer MG-OXC system based on MLAG and OCDM

NASA Astrophysics Data System (ADS)

Wang, Yubao; Ren, Yanfei; Meng, Ying; Bai, Jian

2017-10-01

At present, as traffic volume which optical transport networks convey and species of traffic grooming methods increase rapidly, optical switching techniques are faced with a series of issues, such as more requests for the number of wavelengths and complicated structure management and implementation. This work introduces optical code switching based on wavelength switching, constructs the three layers multi-granularity optical cross connection (MG-OXC) system on the basis of optical code division multiplexing (OCDM) and presents a new traffic grooming algorithm. The proposed architecture can improve the flexibility of traffic grooming, reduce the amount of used wavelengths and save the number of consumed ports, hence, it can simplify routing device and enhance the performance of the system significantly. Through analyzing the network model of switching structure on multicast layered auxiliary graph (MLAG) and the establishment of traffic grooming links, and the simulation of blocking probability and throughput, this paper shows the excellent performance of this mentioned architecture.

Concept of a photon-counting camera based on a diffraction-addressed Gray-code mask

NASA Astrophysics Data System (ADS)

Morel, Sébastien

2004-09-01

A new concept of photon counting camera for fast and low-light-level imaging applications is introduced. The possible spectrum covered by this camera ranges from visible light to gamma rays, depending on the device used to transform an incoming photon into a burst of visible photons (photo-event spot) localized in an (x,y) image plane. It is actually an evolution of the existing "PAPA" (Precision Analog Photon Address) Camera that was designed for visible photons. This improvement comes from a simplified optics. The new camera transforms, by diffraction, each photo-event spot from an image intensifier or a scintillator into a cross-shaped pattern, which is projected onto a specific Gray code mask. The photo-event position is then extracted from the signal given by an array of avalanche photodiodes (or photomultiplier tubes, alternatively) downstream of the mask. After a detailed explanation of this camera concept that we have called "DIAMICON" (DIffraction Addressed Mask ICONographer), we briefly discuss about technical solutions to build such a camera.

High-fidelity simulations of blast loadings in urban environments using an overset meshing strategy

NASA Astrophysics Data System (ADS)

Wang, X.; Remotigue, M.; Arnoldus, Q.; Janus, M.; Luke, E.; Thompson, D.; Weed, R.; Bessette, G.

2017-05-01

Detailed blast propagation and evolution through multiple structures representing an urban environment were simulated using the code Loci/BLAST, which employs an overset meshing strategy. The use of overset meshes simplifies mesh generation by allowing meshes for individual component geometries to be generated independently. Detailed blast propagation and evolution through multiple structures, wave reflection and interaction between structures, and blast loadings on structures were simulated and analyzed. Predicted results showed good agreement with experimental data generated by the US Army Engineer Research and Development Center. Loci/BLAST results were also found to compare favorably to simulations obtained using the Second-Order Hydrodynamic Automatic Mesh Refinement Code (SHAMRC). The results obtained demonstrated that blast reflections in an urban setting significantly increased the blast loads on adjacent buildings. Correlations of computational results with experimental data yielded valuable insights into the physics of blast propagation, reflection, and interaction under an urban setting and verified the use of Loci/BLAST as a viable tool for urban blast analysis.

Status of parallel Python-based implementation of UEDGE

NASA Astrophysics Data System (ADS)

Umansky, M. V.; Pankin, A. Y.; Rognlien, T. D.; Dimits, A. M.; Friedman, A.; Joseph, I.

2017-10-01

The tokamak edge transport code UEDGE has long used the code-development and run-time framework Basis. However, with the support for Basis expected to terminate in the coming years, and with the advent of the modern numerical language Python, it has become desirable to move UEDGE to Python, to ensure its long-term viability. Our new Python-based UEDGE implementation takes advantage of the portable build system developed for FACETS. The new implementation gives access to Python's graphical libraries and numerical packages for pre- and post-processing, and support of HDF5 simplifies exchanging data. The older serial version of UEDGE has used for time-stepping the Newton-Krylov solver NKSOL. The renovated implementation uses backward Euler discretization with nonlinear solvers from PETSc, which has the promise to significantly improve the UEDGE parallel performance. We will report on assessment of some of the extended UEDGE capabilities emerging in the new implementation, and will discuss the future directions. Work performed for U.S. DOE by LLNL under contract DE-AC52-07NA27344.

Precoded spatial multiplexing MIMO system with spatial component interleaver.

PubMed

Gao, Xiang; Wu, Zhanji

In this paper, the performance of precoded bit-interleaved coded modulation (BICM) spatial multiplexing multiple-input multiple-output (MIMO) system with spatial component interleaver is investigated. For the ideal precoded spatial multiplexing MIMO system with spatial component interleaver based on singular value decomposition (SVD) of the MIMO channel, the average pairwise error probability (PEP) of coded bits is derived. Based on the PEP analysis, the optimum spatial Q-component interleaver design criterion is provided to achieve the minimum error probability. For the limited feedback precoded proposed scheme with linear zero forcing (ZF) receiver, in order to minimize a bound on the average probability of a symbol vector error, a novel effective signal-to-noise ratio (SNR)-based precoding matrix selection criterion and a simplified criterion are proposed. Based on the average mutual information (AMI)-maximization criterion, the optimal constellation rotation angles are investigated. Simulation results indicate that the optimized spatial multiplexing MIMO system with spatial component interleaver can achieve significant performance advantages compared to the conventional spatial multiplexing MIMO system.

Management information system of medical equipment using mobile devices

NASA Astrophysics Data System (ADS)

Núñez, C.; Castro, D.

2011-09-01

The large numbers of technologies currently incorporated into mobile devices transform them into excellent tools for capture and to manage the information, because of the increasing computing power and storage that allow to add many miscellaneous applications. In order to obtain benefits of these technologies, in the biomedical engineering field, it was developed a mobile information system for medical equipment management. The central platform for the system it's a mobile phone, which by a connection with a web server, it's capable to send and receive information relative to any medical equipment. Decoding a type of barcodes, known as QR-Codes, the management process is simplified and improved. These barcodes identified the medical equipments in a database, when these codes are photographed and decoded with the mobile device, you can access to relevant information about the medical equipment in question. This Project in it's actual state is a basic support tool for the maintenance of medical equipment. It is also a modern alternative, competitive and economic in the actual market.

PyMercury: Interactive Python for the Mercury Monte Carlo Particle Transport Code

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

Iandola, F N; O'Brien, M J; Procassini, R J

2010-11-29

Monte Carlo particle transport applications are often written in low-level languages (C/C++) for optimal performance on clusters and supercomputers. However, this development approach often sacrifices straightforward usability and testing in the interest of fast application performance. To improve usability, some high-performance computing applications employ mixed-language programming with high-level and low-level languages. In this study, we consider the benefits of incorporating an interactive Python interface into a Monte Carlo application. With PyMercury, a new Python extension to the Mercury general-purpose Monte Carlo particle transport code, we improve application usability without diminishing performance. In two case studies, we illustrate how PyMercury improvesmore » usability and simplifies testing and validation in a Monte Carlo application. In short, PyMercury demonstrates the value of interactive Python for Monte Carlo particle transport applications. In the future, we expect interactive Python to play an increasingly significant role in Monte Carlo usage and testing.« less

Optimization of automotive Rankine cycle waste heat recovery under various engine operating condition

NASA Astrophysics Data System (ADS)

Punov, Plamen; Milkov, Nikolay; Danel, Quentin; Perilhon, Christelle; Podevin, Pierre; Evtimov, Teodossi

2017-02-01

An optimization study of the Rankine cycle as a function of diesel engine operating mode is presented. The Rankine cycle here, is studied as a waste heat recovery system which uses the engine exhaust gases as heat source. The engine exhaust gases parameters (temperature, mass flow and composition) were defined by means of numerical simulation in advanced simulation software AVL Boost. Previously, the engine simulation model was validated and the Vibe function parameters were defined as a function of engine load. The Rankine cycle output power and efficiency was numerically estimated by means of a simulation code in Python(x,y). This code includes discretized heat exchanger model and simplified model of the pump and the expander based on their isentropic efficiency. The Rankine cycle simulation revealed the optimum value of working fluid mass flow and evaporation pressure according to the heat source. Thus, the optimal Rankine cycle performance was obtained over the engine operating map.

Fracture mechanics life analytical methods verification testing

NASA Technical Reports Server (NTRS)

Favenesi, J. A.; Clemons, T. G.; Riddell, W. T.; Ingraffea, A. R.; Wawrzynek, P. A.

1994-01-01

The objective was to evaluate NASCRAC (trademark) version 2.0, a second generation fracture analysis code, for verification and validity. NASCRAC was evaluated using a combination of comparisons to the literature, closed-form solutions, numerical analyses, and tests. Several limitations and minor errors were detected. Additionally, a number of major flaws were discovered. These major flaws were generally due to application of a specific method or theory, not due to programming logic. Results are presented for the following program capabilities: K versus a, J versus a, crack opening area, life calculation due to fatigue crack growth, tolerable crack size, proof test logic, tearing instability, creep crack growth, crack transitioning, crack retardation due to overloads, and elastic-plastic stress redistribution. It is concluded that the code is an acceptable fracture tool for K solutions of simplified geometries, for a limited number of J and crack opening area solutions, and for fatigue crack propagation with the Paris equation and constant amplitude loads when the Paris equation is applicable.

Astrophysical Supercomputing with GPUs: Critical Decisions for Early Adopters

NASA Astrophysics Data System (ADS)

Fluke, Christopher J.; Barnes, David G.; Barsdell, Benjamin R.; Hassan, Amr H.

2011-01-01

General-purpose computing on graphics processing units (GPGPU) is dramatically changing the landscape of high performance computing in astronomy. In this paper, we identify and investigate several key decision areas, with a goal of simplifying the early adoption of GPGPU in astronomy. We consider the merits of OpenCL as an open standard in order to reduce risks associated with coding in a native, vendor-specific programming environment, and present a GPU programming philosophy based on using brute force solutions. We assert that effective use of new GPU-based supercomputing facilities will require a change in approach from astronomers. This will likely include improved programming training, an increased need for software development best practice through the use of profiling and related optimisation tools, and a greater reliance on third-party code libraries. As with any new technology, those willing to take the risks and make the investment of time and effort to become early adopters of GPGPU in astronomy, stand to reap great benefits.

Quantum subsystems: Exploring the complementarity of quantum privacy and error correction

NASA Astrophysics Data System (ADS)

Jochym-O'Connor, Tomas; Kribs, David W.; Laflamme, Raymond; Plosker, Sarah

2014-09-01

This paper addresses and expands on the contents of the recent Letter [Phys. Rev. Lett. 111, 030502 (2013), 10.1103/PhysRevLett.111.030502] discussing private quantum subsystems. Here we prove several previously presented results, including a condition for a given random unitary channel to not have a private subspace (although this does not mean that private communication cannot occur, as was previously demonstrated via private subsystems) and algebraic conditions that characterize when a general quantum subsystem or subspace code is private for a quantum channel. These conditions can be regarded as the private analog of the Knill-Laflamme conditions for quantum error correction, and we explore how the conditions simplify in some special cases. The bridge between quantum cryptography and quantum error correction provided by complementary quantum channels motivates the study of a new, more general definition of quantum error-correcting code, and we initiate this study here. We also consider the concept of complementarity for the general notion of a private quantum subsystem.

An analytical study of reduced-gravity propellant settling

NASA Technical Reports Server (NTRS)

Bradshaw, R. D.; Kramer, J. L.; Masica, W. J.

1974-01-01

Full-scale propellant reorientation flow dynamics for the Centaur D-1T fuel tank were analyzed. A computer code using the simplified marker and cell technique was modified to include the capability for a variable-grid mesh configuration. Use of smaller cells near the boundary, near baffles, and in corners provides improved flow resolution. Two drop tower model cases were simulated to verify program validity: one case without baffles, the other with baffles and geometry identical to Centaur D-1T. Flow phenomena using the new code successfully modeled drop tower data. Baffles are a positive factor in the settling flow. Two full-scale Centaur D-1T cases were simulated using parameters based on the Titan/Centaur proof flight. These flow simulations indicated the time to clear the vent area and an indication of time to orient and collect the propellant. The results further indicated the complexity of the reorientation flow and the long time period required for settling.

Comparison of fundamental natural period of masonry and reinforced concrete buildings retrieved from experimental campaigns performed in Italy, Greece and Spain

NASA Astrophysics Data System (ADS)

Nigro, Antonella; Ponzo, Felice C.; Ditommaso, Rocco; Auletta, Gianluca; Iacovino, Chiara; Nigro, Domenico S.; Soupios, Pantelis; García-Fernández, Mariano; Jimenez, Maria-Jose

2017-04-01

Aim of this study is the experimental estimation of the dynamic characteristics of existing buildings and the comparison of the related fundamental natural period of the buildings (masonry and reinforced concrete) located in Basilicata (Italy), in Madrid (Spain) and in Crete (Greece). Several experimental campaigns, on different kind of structures all over the world, have been performed in the last years with the aim of proposing simplified relationships to evaluate the fundamental period of buildings. Most of formulas retrieved from experimental analyses provide vibration periods smaller than those suggested by the Italian Seismic Code (NTC2008) and the European Seismic Code (EC8). It is known that the fundamental period of a structure play a key role in the correct estimation of the spectral acceleration for seismic static analyses and to detect possible resonance phenomena with the foundation soil. Usually, simplified approaches dictate the use of safety factors greater than those related to in depth dynamic linear and nonlinear analyses with the aim to cover any unexpected uncertainties. The fundamental period calculated with the simplified formula given by both NTC 2008 and EC8 is higher than the fundamental period measured on the investigated structures in Italy, Spain and Greece. The consequence is that the spectral acceleration adopted in the seismic static analysis may be significantly different than real spectral acceleration. This approach could produces a decreasing in safety factors obtained using linear seismic static analyses. Based on numerical and experimental results, in order to confirm the results proposed in this work, authors suggest to increase the number of numerical and experimental tests considering also the effects of non-structural components and soil during small, medium and strong motion earthquakes. Acknowledgements This study was partially funded by the Italian Department of Civil Protection within the project DPC-RELUIS 2016 - RS4 ''Seismic observatory of structures and health monitoring'' and by the "Centre of Integrated Geomorphology for the Mediterranean Area - CGIAM" within the Framework Agreement with the University of Basilicata "Study, Research and Experimentation in the Field of Analysis and Monitoring of Seismic Vulnerability of Strategic and Relevant Buildings for the purposes of Civil Protection and Development of Innovative Strategies of Seismic Reinforcement".

Transient CFD simulation of a Francis turbine startup

NASA Astrophysics Data System (ADS)

Nicolle, J.; Morissette, J. F.; Giroux, A. M.

2012-11-01

To assess the life expectancy of hydraulic turbines, it is essential to obtain the loading on the blades, especially during transient operations known to be the most damaging. This paper presents a simplified CFD setup to model the startup phase of a Francis turbine while it goes from rest to speed no-load condition. The fluid domain included one distributor sector coupled with one runner passage. The guide vane motion and change in the angular velocity were included in a commercial code with user functions. Comparisons between numerical results and measurements acquired on a full-size turbine showed that most of the flow physics occurring during startup were captured.

PANDA asymmetric-configuration passive decay heat removal test results

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

Fischer, O.; Dreier, J.; Aubert, C.

1997-12-01

PANDA is a large-scale, low-pressure test facility for investigating passive decay heat removal systems for the next generation of LWRs. In the first series of experiments, PANDA was used to examine the long-term LOCA response of the Passive Containment Cooling System (PCCS) for the General Electric (GE) Simplified Boiling Water Reactor (SBWR). The test objectives include concept demonstration and extension of the database available for qualification of containment codes. Also included is the study of the effects of nonuniform distributions of steam and noncondensable gases in the Dry-well (DW) and in the Suppression Chamber (SC). 3 refs., 9 figs.

JacketSE: An Offshore Wind Turbine Jacket Sizing Tool; Theory Manual and Sample Usage with Preliminary Validation

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

Damiani, Rick

This manual summarizes the theory and preliminary verifications of the JacketSE module, which is an offshore jacket sizing tool that is part of the Wind-Plant Integrated System Design & Engineering Model toolbox. JacketSE is based on a finite-element formulation and on user-prescribed inputs and design standards' criteria (constraints). The physics are highly simplified, with a primary focus on satisfying ultimate limit states and modal performance requirements. Preliminary validation work included comparing industry data and verification against ANSYS, a commercial finite-element analysis package. The results are encouraging, and future improvements to the code are recommended in this manual.

Penetration of tungsten-alloy rods into composite ceramic targets: Experiments and 2-D simulations

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

Rosenberg, Z.; Dekel, E.; Hohler, V.

1998-07-10

A series of terminal ballistics experiments, with scaled tungsten-alloy penetrators, was performed on composite targets consisting of ceramic tiles glued to thick steel backing plates. Tiles of silicon-carbide, aluminum nitride, titanium-dibroide and boron-carbide were 20-80 mm thick, and impact velocity was 1.7 km/s. 2-D numerical simulations, using the PISCES code, were performed in order to simulate these shots. It is shown that a simplified version of the Johnson-Holmquist failure model can account for the penetration depths of the rods but is not enough to capture the effect of lateral release waves on these penetrations.

A chimera grid scheme. [multiple overset body-conforming mesh system for finite difference adaptation to complex aircraft configurations

NASA Technical Reports Server (NTRS)

Steger, J. L.; Dougherty, F. C.; Benek, J. A.

1983-01-01

A mesh system composed of multiple overset body-conforming grids is described for adapting finite-difference procedures to complex aircraft configurations. In this so-called 'chimera mesh,' a major grid is generated about a main component of the configuration and overset minor grids are used to resolve all other features. Methods for connecting overset multiple grids and modifications of flow-simulation algorithms are discussed. Computational tests in two dimensions indicate that the use of multiple overset grids can simplify the task of grid generation without an adverse effect on flow-field algorithms and computer code complexity.

Interfacing WIPL-D with Mechanical CAD Software

NASA Technical Reports Server (NTRS)

Bliznyuk, Nataliya; Janic, Bojan

2007-01-01

of almost any popular CAD format, e.g. IGES, Parasolid, DXF, ACIS etc. The solid models are processed (simplified) and meshed in GiD(R), and then converted into WIPL-D Pro input file by simple Fortran or Matlab code. This algorithm allows the user to control the mesh of imported geometry, and to assign electric pperties to metalic and dielectric surfaces. Implementation of the algorithm is demonstrated by examples obtained from the NASA Discovery mission, Phoenix Lander 2008. Results for radiation pattern of Phoenix Lander UHF relay antenna with effect of Martian surface, both simulated in WIPL-D Pro and measured, are shown for comparison.

PICsar: Particle in cell pulsar magnetosphere simulator

NASA Astrophysics Data System (ADS)

Belyaev, Mikhail A.

2016-07-01

PICsar simulates the magnetosphere of an aligned axisymmetric pulsar and can be used to simulate other arbitrary electromagnetics problems in axisymmetry. Written in Fortran, this special relativistic, electromagnetic, charge conservative particle in cell code features stretchable body-fitted coordinates that follow the surface of a sphere, simplifying the application of boundary conditions in the case of the aligned pulsar; a radiation absorbing outer boundary, which allows a steady state to be set up dynamically and maintained indefinitely from transient initial conditions; and algorithms for injection of charged particles into the simulation domain. PICsar is parallelized using MPI and has been used on research problems with 1000 CPUs.

Parallel computation with the force

NASA Technical Reports Server (NTRS)

Jordan, H. F.

1985-01-01

A methodology, called the force, supports the construction of programs to be executed in parallel by a force of processes. The number of processes in the force is unspecified, but potentially very large. The force idea is embodied in a set of macros which produce multiproceossor FORTRAN code and has been studied on two shared memory multiprocessors of fairly different character. The method has simplified the writing of highly parallel programs within a limited class of parallel algorithms and is being extended to cover a broader class. The individual parallel constructs which comprise the force methodology are discussed. Of central concern are their semantics, implementation on different architectures and performance implications.

Law and psychiatry. Doing forensic work, II: fees, billing, and collections.

PubMed

Reid, William H

2012-05-01

Forensic practice fees, billing, and collection procedures are quite different from those in general psychiatry. Most forensic practices have far fewer "clients," and individual bills are usually larger. Collections are usually better (and less frequently discounted) in forensic practice, and resolving billing disputes is far more straightforward. Medicare, Medicaid, other insurance coverage, provider networks and agreements, procedure codes, and diagnosis-related groups (DRGs) are all largely irrelevant in forensic work (although sometimes important to direct clinical services in correctional psychiatry or forensic treatment clinics). An understanding of the practicalities and ethics of charging and billing for forensic services greatly simplifies practice management.

Computational reacting gas dynamics

NASA Technical Reports Server (NTRS)

Lam, S. H.

1993-01-01

In the study of high speed flows at high altitudes, such as that encountered by re-entry spacecrafts, the interaction of chemical reactions and other non-equilibrium processes in the flow field with the gas dynamics is crucial. Generally speaking, problems of this level of complexity must resort to numerical methods for solutions, using sophisticated computational fluid dynamics (CFD) codes. The difficulties introduced by reacting gas dynamics can be classified into three distinct headings: (1) the usually inadequate knowledge of the reaction rate coefficients in the non-equilibrium reaction system; (2) the vastly larger number of unknowns involved in the computation and the expected stiffness of the equations; and (3) the interpretation of the detailed reacting CFD numerical results. The research performed accepts the premise that reacting flows of practical interest in the future will in general be too complex or 'untractable' for traditional analytical developments. The power of modern computers must be exploited. However, instead of focusing solely on the construction of numerical solutions of full-model equations, attention is also directed to the 'derivation' of the simplified model from the given full-model. In other words, the present research aims to utilize computations to do tasks which have traditionally been done by skilled theoreticians: to reduce an originally complex full-model system into an approximate but otherwise equivalent simplified model system. The tacit assumption is that once the appropriate simplified model is derived, the interpretation of the detailed numerical reacting CFD numerical results will become much easier. The approach of the research is called computational singular perturbation (CSP).

Thermal expansion in UO 2 determined by high-energy X-ray diffraction

DOE PAGES

Guthrie, M.; Benmore, C. J.; Skinner, L. B.; ...

2016-06-24

In this study, we present crystallographic analyses of high-energy X-ray diffraction data on polycrystalline UO 2 up to the melting temperature. The Rietveld refinements of our X-ray data are in agreement with previous measurements, but are systematically located around the upper bound of their uncertainty, indicating a slightly steeper trend of thermal expansion compared to established values. This observation is consistent with recent first principles calculations.

ACPYPE - AnteChamber PYthon Parser interfacE.

PubMed

Sousa da Silva, Alan W; Vranken, Wim F

2012-07-23

ACPYPE (or AnteChamber PYthon Parser interfacE) is a wrapper script around the ANTECHAMBER software that simplifies the generation of small molecule topologies and parameters for a variety of molecular dynamics programmes like GROMACS, CHARMM and CNS. It is written in the Python programming language and was developed as a tool for interfacing with other Python based applications such as the CCPN software suite (for NMR data analysis) and ARIA (for structure calculations from NMR data). ACPYPE is open source code, under GNU GPL v3, and is available as a stand-alone application at http://www.ccpn.ac.uk/acpype and as a web portal application at http://webapps.ccpn.ac.uk/acpype. We verified the topologies generated by ACPYPE in three ways: by comparing with default AMBER topologies for standard amino acids; by generating and verifying topologies for a large set of ligands from the PDB; and by recalculating the structures for 5 protein-ligand complexes from the PDB. ACPYPE is a tool that simplifies the automatic generation of topology and parameters in different formats for different molecular mechanics programmes, including calculation of partial charges, while being object oriented for integration with other applications.

A Machine Learning Framework for Plan Payment Risk Adjustment.

PubMed

Rose, Sherri

2016-12-01

To introduce cross-validation and a nonparametric machine learning framework for plan payment risk adjustment and then assess whether they have the potential to improve risk adjustment. 2011-2012 Truven MarketScan database. We compare the performance of multiple statistical approaches within a broad machine learning framework for estimation of risk adjustment formulas. Total annual expenditure was predicted using age, sex, geography, inpatient diagnoses, and hierarchical condition category variables. The methods included regression, penalized regression, decision trees, neural networks, and an ensemble super learner, all in concert with screening algorithms that reduce the set of variables considered. The performance of these methods was compared based on cross-validated R 2 . Our results indicate that a simplified risk adjustment formula selected via this nonparametric framework maintains much of the efficiency of a traditional larger formula. The ensemble approach also outperformed classical regression and all other algorithms studied. The implementation of cross-validated machine learning techniques provides novel insight into risk adjustment estimation, possibly allowing for a simplified formula, thereby reducing incentives for increased coding intensity as well as the ability of insurers to "game" the system with aggressive diagnostic upcoding. © Health Research and Educational Trust.

Mining dynamic noteworthy functions in software execution sequences.

PubMed

Zhang, Bing; Huang, Guoyan; Wang, Yuqian; He, Haitao; Ren, Jiadong

2017-01-01

As the quality of crucial entities can directly affect that of software, their identification and protection become an important premise for effective software development, management, maintenance and testing, which thus contribute to improving the software quality and its attack-defending ability. Most analysis and evaluation on important entities like codes-based static structure analysis are on the destruction of the actual software running. In this paper, from the perspective of software execution process, we proposed an approach to mine dynamic noteworthy functions (DNFM)in software execution sequences. First, according to software decompiling and tracking stack changes, the execution traces composed of a series of function addresses were acquired. Then these traces were modeled as execution sequences and then simplified so as to get simplified sequences (SFS), followed by the extraction of patterns through pattern extraction (PE) algorithm from SFS. After that, evaluating indicators inner-importance and inter-importance were designed to measure the noteworthiness of functions in DNFM algorithm. Finally, these functions were sorted by their noteworthiness. Comparison and contrast were conducted on the experiment results from two traditional complex network-based node mining methods, namely PageRank and DegreeRank. The results show that the DNFM method can mine noteworthy functions in software effectively and precisely.

Development of a simplified densitometer for the determination of aflatoxins by thin-layer chromatography.

PubMed

Stroka, J; Anklam, E

2000-12-29

A simple, miniaturised and low power consuming (battery, fully semiconductor based) detector cell (SeBaDeC) was developed for the densitometric measurement of aflatoxins on TLC plates. A UV-light emitting diode (UV-LED) with a peak emission wavelength of 370 nm was used for fluorescence excitation, while a photo diode with a peak sensitivity of 440 nm in combination with a 418 nm cut-off filter was applied for detecting the fluorescence intensity. The resulting signal was further amplified by means of a commonly used operational amplifier integrated circuit (OA) and directly converted into a digital signal with a simple analogue-digital-converter (ADC). This signal was recorded at the serial (RS232) port of a portable PC and processed with a spreadsheet program. The software used for data recording is freeware and available in its source code, and the long lifetime of the UV-LED (up to 10 000 h) permits a maintenance free application of this device. This simplified device has shown to be able to detect concentrations of aflatoxins of 1 ng, thus offering a cheap and sensitive alternative to currently available TCL scanners.

Neutron Deep Penetration Calculations in Light Water with Monte Carlo TRIPOLI-4® Variance Reduction Techniques

NASA Astrophysics Data System (ADS)

Lee, Yi-Kang

2017-09-01

Nuclear decommissioning takes place in several stages due to the radioactivity in the reactor structure materials. A good estimation of the neutron activation products distributed in the reactor structure materials impacts obviously on the decommissioning planning and the low-level radioactive waste management. Continuous energy Monte-Carlo radiation transport code TRIPOLI-4 has been applied on radiation protection and shielding analyses. To enhance the TRIPOLI-4 application in nuclear decommissioning activities, both experimental and computational benchmarks are being performed. To calculate the neutron activation of the shielding and structure materials of nuclear facilities, the knowledge of 3D neutron flux map and energy spectra must be first investigated. To perform this type of neutron deep penetration calculations with the Monte Carlo transport code, variance reduction techniques are necessary in order to reduce the uncertainty of the neutron activation estimation. In this study, variance reduction options of the TRIPOLI-4 code were used on the NAIADE 1 light water shielding benchmark. This benchmark document is available from the OECD/NEA SINBAD shielding benchmark database. From this benchmark database, a simplified NAIADE 1 water shielding model was first proposed in this work in order to make the code validation easier. Determination of the fission neutron transport was performed in light water for penetration up to 50 cm for fast neutrons and up to about 180 cm for thermal neutrons. Measurement and calculation results were benchmarked. Variance reduction options and their performance were discussed and compared.

Binary Multidimensional Scaling for Hashing.

PubMed

Huang, Yameng; Lin, Zhouchen

2017-10-04

Hashing is a useful technique for fast nearest neighbor search due to its low storage cost and fast query speed. Unsupervised hashing aims at learning binary hash codes for the original features so that the pairwise distances can be best preserved. While several works have targeted on this task, the results are not satisfactory mainly due to the oversimplified model. In this paper, we propose a unified and concise unsupervised hashing framework, called Binary Multidimensional Scaling (BMDS), which is able to learn the hash code for distance preservation in both batch and online mode. In the batch mode, unlike most existing hashing methods, we do not need to simplify the model by predefining the form of hash map. Instead, we learn the binary codes directly based on the pairwise distances among the normalized original features by Alternating Minimization. This enables a stronger expressive power of the hash map. In the online mode, we consider the holistic distance relationship between current query example and those we have already learned, rather than only focusing on current data chunk. It is useful when the data come in a streaming fashion. Empirical results show that while being efficient for training, our algorithm outperforms state-of-the-art methods by a large margin in terms of distance preservation, which is practical for real-world applications.

TRIPOLI-4® - MCNP5 ITER A-lite neutronic model benchmarking

NASA Astrophysics Data System (ADS)

Jaboulay, J.-C.; Cayla, P.-Y.; Fausser, C.; Lee, Y.-K.; Trama, J.-C.; Li-Puma, A.

2014-06-01

The aim of this paper is to present the capability of TRIPOLI-4®, the CEA Monte Carlo code, to model a large-scale fusion reactor with complex neutron source and geometry. In the past, numerous benchmarks were conducted for TRIPOLI-4® assessment on fusion applications. Experiments (KANT, OKTAVIAN, FNG) analysis and numerical benchmarks (between TRIPOLI-4® and MCNP5) on the HCLL DEMO2007 and ITER models were carried out successively. In this previous ITER benchmark, nevertheless, only the neutron wall loading was analyzed, its main purpose was to present MCAM (the FDS Team CAD import tool) extension for TRIPOLI-4®. Starting from this work a more extended benchmark has been performed about the estimation of neutron flux, nuclear heating in the shielding blankets and tritium production rate in the European TBMs (HCLL and HCPB) and it is presented in this paper. The methodology to build the TRIPOLI-4® A-lite model is based on MCAM and the MCNP A-lite model (version 4.1). Simplified TBMs (from KIT) have been integrated in the equatorial-port. Comparisons of neutron wall loading, flux, nuclear heating and tritium production rate show a good agreement between the two codes. Discrepancies are mainly included in the Monte Carlo codes statistical error.

Embedded real-time image processing hardware for feature extraction and clustering

NASA Astrophysics Data System (ADS)

Chiu, Lihu; Chang, Grant

2003-08-01

Printronix, Inc. uses scanner-based image systems to perform print quality measurements for line-matrix printers. The size of the image samples and image definition required make commercial scanners convenient to use. The image processing is relatively well defined, and we are able to simplify many of the calculations into hardware equations and "c" code. The process of rapidly prototyping the system using DSP based "c" code gets the algorithms well defined early in the development cycle. Once a working system is defined, the rest of the process involves splitting the task up for the FPGA and the DSP implementation. Deciding which of the two to use, the DSP or the FPGA, is a simple matter of trial benchmarking. There are two kinds of benchmarking: One for speed, and the other for memory. The more memory intensive algorithms should run in the DSP, and the simple real time tasks can use the FPGA most effectively. Once the task is split, we can decide which platform the algorithm should be executed. This involves prototyping all the code in the DSP, then timing various blocks of the algorithm. Slow routines can be optimized using the compiler tools, and if further reduction in time is needed, into tasks that the FPGA can perform.

GEOtop, a model with coupled water and energy budgets and non linear hydrological interactions. (Invited)

NASA Astrophysics Data System (ADS)

Endrizzi, S.; Gruber, S.; Dall'Amico, M.; Rigon, R.

2013-12-01

This contribution describes the new version of GEOtop which emerges after almost eight years of development from the original version. GEOtop now integrate the 3D Richards equation with a new numerical method; improvements were made on the treatment of surface waters by using the shallow water equation. The freezing-soil module was greatly improved, and the evapotranspiration -vegetation modelling is now based on a double layer scheme. Here we discuss the rational of each choice that was made, and we compare the differences between the actual solutions and the old solutions. In doing we highlight the issues that we faced during the development, including the trade-off between complexity and simplicity of the code, the requirements of a shared development, the different branches that were opened during the evolution of the code, and why we think that a code like GEOtop is indeed necessary. Models where the hydrological cycle is simplified can be built on the base of perceptual models that neglects some fundamental aspects of the hydrological processes, of which some examples are presented. At the same time, also process-based models like GEOtop can indeed neglect some fundamental process: but this is made evident with the comparison with measurements, especially when data are imposed ex-ante, instead than calibrated.

Automatic mathematical modeling for real time simulation system

NASA Technical Reports Server (NTRS)

Wang, Caroline; Purinton, Steve

1988-01-01

A methodology for automatic mathematical modeling and generating simulation models is described. The models will be verified by running in a test environment using standard profiles with the results compared against known results. The major objective is to create a user friendly environment for engineers to design, maintain, and verify their model and also automatically convert the mathematical model into conventional code for conventional computation. A demonstration program was designed for modeling the Space Shuttle Main Engine Simulation. It is written in LISP and MACSYMA and runs on a Symbolic 3670 Lisp Machine. The program provides a very friendly and well organized environment for engineers to build a knowledge base for base equations and general information. It contains an initial set of component process elements for the Space Shuttle Main Engine Simulation and a questionnaire that allows the engineer to answer a set of questions to specify a particular model. The system is then able to automatically generate the model and FORTRAN code. The future goal which is under construction is to download the FORTRAN code to VAX/VMS system for conventional computation. The SSME mathematical model will be verified in a test environment and the solution compared with the real data profile. The use of artificial intelligence techniques has shown that the process of the simulation modeling can be simplified.

Modeling of local steam condensation on walls in presence of non-condensable gases. Application to a loca calculation in reactor containment using the multidimensional geyser/tonus code

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

Benet, L.V.; Caroli, C.; Cornet, P.

1995-09-01

This paper reports part of a study of possible severe pressurized water reactor (PWR) accidents. The need for containment modeling, and in particular for a hydrogen risk study, was reinforced in France after 1990, with the requirement that severe accidents must be taken into account in the design of future plants. This new need of assessing the transient local hydrogen concentration led to the development, in the Mechanical Engineering and Technology Department of the French Atomic Energy Commission (CEA/DMT), of the multidimensional code GEYSER/TONUS for containment analysis. A detailed example of the use of this code is presented. The mixturemore » consisted of noncondensable gases (air or air plus hydrogen) and water vapor and liquid water. This is described by a compressible homogeneous two-phase flow model and wall condensation is based on the Chilton-Colburn formula and the analogy between heat and mass transfer. Results are given for a transient two-dimensional axially-symmetric computation for the first hour of a simplified accident sequence. In this there was an initial injection of a large amount of water vapor followed by a smaller amount and by hydrogen injection.« less

Simultaneous X-ray and neutron diffraction Rietveld refinements of nanophase iron substituted hydroxyapatite

NASA Astrophysics Data System (ADS)

Kyriacou, Andreas

The effect of Fe substitution on the crystal structure of hydroxyapatite (HAp) is studied by applying simultaneous Rietveld refinements of powder x-ray and neutron diffraction patterns. Fe is one of the trace elements replacing Ca in HAp, which is the major mineral phase in bones and teeth. The morphology and magnetic properties of the Fe-HAp system are also studied by transmission electron microscopy and magnetization measurements. Samples of Ca(5-x)Fex(PO4)3OH with 0 ≤ x ≤ 0.3 were prepared. Single phase HAp was identified in x-ray diffraction patterns (XRD) of samples with x < 0.1 inferring that the solubility limits are less than 0.1. Hematite (alpha-Fe2O3) is identified as a secondary phase for higher Fe content. The refined parameters show that Fe is incorporated in the HAp structure by replacing Ca in the two crystallographic sites with a preference at the Ca2 site. This preference explains the small effect of the Fe substitution on the lattice constants of HAp. The overall decrease of the lattice constants is explained by the ionic size difference of Ca and Fe. The increasing trend of the a-lattice constant with x in the Fe substituted samples is attributed to a lattice relaxation caused by the substitution of the 4- and 6-fold Fe at the 7- and 9-fold Ca1 and Ca2 sites. This Ca local geometry reduction is indicated by a slight increase of the Ca1-O3 and Ca2-O1 bond lengths. Above the solubility limit x = 0.05, the Fe is partitioned in and out of the HAp structure with increasing nominal Fe content x. The excess Fe is oxidized to hematite. The TEM analysis and magnetic measurements support the results of the simultaneous Rietveld refinements. The TEM images show no significant effect on the morphology and size of the HAp particles upon Fe incorporation. The particles are either spheres or short rods of dimensions 20--60 nm. Hematite particles are imaged in the samples with x exceeding the solubility limit. These particles are spheres, about 15 nm in diameter and are more resistant to electron beam damage. Magnetic measurements reveal a transition of the diamagnetic pure HAp to paramagnetic Fe substituted HAp.

Design strategies and functionality of the Visual Interface for Virtual Interaction Development (VIVID) tool

NASA Technical Reports Server (NTRS)

Nguyen, Lac; Kenney, Patrick J.

1993-01-01

Development of interactive virtual environments (VE) has typically consisted of three primary activities: model (object) development, model relationship tree development, and environment behavior definition and coding. The model and relationship tree development activities are accomplished with a variety of well-established graphic library (GL) based programs - most utilizing graphical user interfaces (GUI) with point-and-click interactions. Because of this GUI format, little programming expertise on the part of the developer is necessary to create the 3D graphical models or to establish interrelationships between the models. However, the third VE development activity, environment behavior definition and coding, has generally required the greatest amount of time and programmer expertise. Behaviors, characteristics, and interactions between objects and the user within a VE must be defined via command line C coding prior to rendering the environment scenes. In an effort to simplify this environment behavior definition phase for non-programmers, and to provide easy access to model and tree tools, a graphical interface and development tool has been created. The principal thrust of this research is to effect rapid development and prototyping of virtual environments. This presentation will discuss the 'Visual Interface for Virtual Interaction Development' (VIVID) tool; an X-Windows based system employing drop-down menus for user selection of program access, models, and trees, behavior editing, and code generation. Examples of these selection will be highlighted in this presentation, as will the currently available program interfaces. The functionality of this tool allows non-programming users access to all facets of VE development while providing experienced programmers with a collection of pre-coded behaviors. In conjunction with its existing, interfaces and predefined suite of behaviors, future development plans for VIVID will be described. These include incorporation of dual user virtual environment enhancements, tool expansion, and additional behaviors.

Context-sensitive trace inlining for Java.

PubMed

Häubl, Christian; Wimmer, Christian; Mössenböck, Hanspeter

2013-12-01

Method inlining is one of the most important optimizations in method-based just-in-time (JIT) compilers. It widens the compilation scope and therefore allows optimizing multiple methods as a whole, which increases the performance. However, if method inlining is used too frequently, the compilation time increases and too much machine code is generated. This has negative effects on the performance. Trace-based JIT compilers only compile frequently executed paths, so-called traces, instead of whole methods. This may result in faster compilation, less generated machine code, and better optimized machine code. In the previous work, we implemented a trace recording infrastructure and a trace-based compiler for [Formula: see text], by modifying the Java HotSpot VM. Based on this work, we evaluate the effect of trace inlining on the performance and the amount of generated machine code. Trace inlining has several major advantages when compared to method inlining. First, trace inlining is more selective than method inlining, because only frequently executed paths are inlined. Second, the recorded traces may capture information about virtual calls, which simplify inlining. A third advantage is that trace information is context sensitive so that different method parts can be inlined depending on the specific call site. These advantages allow more aggressive inlining while the amount of generated machine code is still reasonable. We evaluate several inlining heuristics on the benchmark suites DaCapo 9.12 Bach, SPECjbb2005, and SPECjvm2008 and show that our trace-based compiler achieves an up to 51% higher peak performance than the method-based Java HotSpot client compiler. Furthermore, we show that the large compilation scope of our trace-based compiler has a positive effect on other compiler optimizations such as constant folding or null check elimination.

Solvothermal growth of a ruthenium metal-organic framework featuring HKUST-1 structure type as thin films on oxide surfaces.

PubMed

Kozachuk, Olesia; Yusenko, Kirill; Noei, Heshmat; Wang, Yuemin; Walleck, Stephan; Glaser, Thorsten; Fischer, Roland A

2011-08-14

Phase-pure crystalline thin films of a mixed-valence Ru(2)(II,III) metal-organic framework with 1,3,5-benzenetricarboxylate (btc) as a linker were solvothermally grown on amorphous alumina and silica surfaces. Based on the Rietveld refinement, the structure of Ru-MOF was assigned to be analogous to [Cu(3)(btc)(2)] (HKUST-1). This journal is © The Royal Society of Chemistry 2011

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

Viani, Alberto, E-mail: viani@itam.cas.cz; Sotiriadis, Konstantinos; Len, Adél

Full characterization of fired-clay bricks is crucial for the improvement of process variables in manufacturing and, in case of old bricks, for restoration/replacement purposes. To this aim, five bricks produced in a plant in Czech Republic in the past have been investigated with a combination of analytical techniques in order to derive information on the firing process. An additional old brick from another brickyard was also used to study the influence of different raw materials on sample microstructure. The potential of X-ray diffraction with the Rietveld method and small angle neutron scattering technique has been exploited to describe the phasemore » transformations taking place during firing and characterize the brick microstructure. Unit-cell parameter of spinel and amount of hematite are proposed as indicators of the maximum firing temperature, although for the latter, limited to bricks produced from the same raw material. The fractal quality of the surface area of pores obtained from small angle neutron scattering is also suggested as a method to distinguish between bricks produced from different raw clays. - Highlights: • Rietveld method helps in describing microstructure and physical properties of bricks. • XRPD derived cell parameter of spinel is proposed as an indicator of firing temperature. • SANS effectively describes brick micro and nanostructure, including closed porosity. • Fractal quality of pore surface is proposed as ‘fingerprint’ of brick manufacturing.« less

The Use of Rietveld Technique to Study Phase Composition and Developments of Calcium Aluminate

NASA Astrophysics Data System (ADS)

Ridwan, I.; Asmi, D.

2008-03-01

The phase composition and development of calcium aluminates (CA, CA2, and CA6) processed by in-situ reaction sintering of Al2O3 and CaCO3 have been studied by Rietveld refinement technique. The formation of calcium aluminates is temperature-dependent. X-ray diffraction result revealed that the CA, CA2, and CA6 phases starts to develop at approximately 1000 °C, 1100 °C and 1375 °C, respectively. The relative phase compositions obtained from x-ray diffraction patterns for the α-Al2O3 phase decreased markedly with increasing temperature, i.e. from 86.0(1.1) wt% at 1000 °C to 34.7(0.4) wt% at 1400 °C. The wt% of CA decreased from 10.9(0.3)-1.9(0.2) wt% at 1100-1200 °C but disappeared at 1300 °C. The wt% of CA2 reached 36.0(0.7) wt% at 1300 °C and decreased to 18.5 (0.5) wt% at 1400 °C. The wt% CA6 increased markedly from 1375 to 1400 °C, i.e. 12.80(0.6)-47.3(0.9) wt%. The goodness of fit values is relatively low and the fluctuation in the difference plots shows a reasonable fit between the observed and the calculated plot.

X-ray diffraction and infrared spectroscopy studies of Ba(Fe1/2Nb1/2)O3-(Na1/2Bi1/2)TiO3 ceramics

NASA Astrophysics Data System (ADS)

Chandra, K. P.; Yadav, Anjana; Prasad, K.

2018-05-01

Ceramics (1-x)Ba(Fe1/2Nb1/2)O3-x(Na1/2Bi1/2)TiO3; 0≤x≤1.0 were prepared by conventional ceramic synthesis technique. Rietveld refinements of X-ray diffraction data of these ceramics were carried out using FullProf software and determined their crystal symmetry, space group and unit cell dimensions. Rietveld refinement revealed that Ba(Fe1/2Nb1/2)O3 has cubic structure with space group Pm 3 ¯ m and Na1/2Bi1/2)TiO3 has rhombohedral structure with space group R3c. Addition of (Na1/2Bi1/2)TiO3 to Ba(Fe1/2Nb1/2)O3 resulted in the change of unit cell structure from cubic to tetragonal (P4/mmm) for x = 0.75 and the X-Ray diffraction peaks slightly shift towards higher Bragg's angle, suggesting slight decrease in unit cell volume. SEM studies were carried out in order to access the quality of the prepared ceramics which showed a change in grain shapes with the increase of (Na1/2Bi1/2)TiO3 content. FTIR spectra confirmed the formation of perovskite type solid solutions.

Synthesis and crystal structure of LiCuFe{sub 2}(VO{sub 4}){sub 3} by Rietveld method

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

Belik, A.A.

1999-10-01

A new triple vanadate LiCuFe{sub 2}(VO{sub 4}){sub 3} was synthesized by a solid-state method. The compound is isotypic with mineral howardevansite, NaCuFe{sub 2}(VO{sub 4}){sub 3}, and crystallizes in a triclinic system (space group P{bar 1} (No. 2); a = 8.1484(5), b = 9.8024(7), c = 6.6355(4) {angstrom}, {alpha} = 103.832(3), {beta} = 102.353(3), {gamma} = 106.975(3), V = 468.68 {angstrom}{sup 3}, Z = 2). Crystal structure of LiCuFe{sub 2}(VO{sub 4}){sub 3} was refined by Rietveld method with R{sub WP} = 2.32%, R{sub P} = 1.76%, R{sub I} = 2.82%, S = 1.55, using X-ray diffraction. The crystal structure has fivemore » independent cation sites. Lithium cations are located in the cavities M(1)O{sub 6} and M(5)O{sub 10}, which form infinite chains in the [001] direction and are linked through a common face. The lithium cation in the M(1)O{sub 6} cavity has a square planar coordination. The lithium cation in the M(5)O{sub 10} cavity is strongly displaced up to 1.2 {angstrom} from the special position (0, 0, 0.5) to a half-occupied general position (0.037, 0.087, 0.40).« less

Effect of laser irradiation on Ag4In12Sb56Te28

NASA Astrophysics Data System (ADS)

Chinnusamy, Rangasami

2018-04-01

Ag4In12Sb56Te28 has been synthesized by melt-quench method. Phase homogeneity, crystal structure and effect of laser irradiation have been investigated using X-ray diffraction (XRD) and Raman spectroscopy. Rietveld refinement of crystal structure revealed that Ag4In12Sb56Te28 is a multiphase system with AgIn3Te5, Sb8Te3 and Sb phases. Combined optical microscopy and Raman spectroscopy have been used to understand the distribution of different phases on the surface of the samples, which substantiated the results of Rietveld analysis. Interaction of 20 mW laser beam with samples has been investigated using Raman measurements. The results have shown that regions with large phase fraction of AgIn3Te5 become amorphous during laser-sample interaction, but the starting phase remains nearly same after the interaction. Regions with AgIn3Te5 and nearly equal or larger amount of Sb8Te3 have shown significant growth of α-Sb2O3 during and after laser-sample interaction. Regions rich in Sb have shown formation of AgIn3Te5 and growth of α-Sb2O3 during and after interaction. These observations have been explained based on the maximum temperature rise at different regions during laser-sample interaction.

Synchrotron-based XAS on structure investigation of La0.99-xSrx(Na, K, Ba)0.01MnO3 nanoparticles: Evidence of magnetic properties

NASA Astrophysics Data System (ADS)

Daengsakul, Sujittra; Saengplot, Saowalak; Kidkhunthod, Pinit; Pimsawat, Adulphan; Maensiri, Santi

2018-04-01

This work presents the structural study of La0.99-xSrx(Na, K, Ba)0.01MnO3 or LSAM nanoparticles synthesized using thermal-hydro decomposition method where A denotes Na, K, Sr and Ba, respectively. The effect of ionic radii size of A dopants or rA from the substitution of A for La and Sr on the MnO6 octrahedral structure, where the average size of the cations occupying in A-site or 〈rA〉 is fixed at ∼ 1.24 Å, is focused. The LSAM nanoparticles are carefully studied using X-ray diffraction (XRD) including Rietveld refinement and X-ray Absorption Spectroscopy (XAS) including X-ray Absorption Near edge Structure (XANES) and X-ray Absorption Fine Structure (EXAFS). The Rietveld refinement shows all nano-powder samples have rhombohedral structure. By XANES technique we found that the effect of A substitutions at A-site causes a slight change of mean oxidation state of Mn between 3.54 and 3.60. Furthermore, the structural distortion of MnO6 octrahedral in samples is analysed and obtained from EXAFS. The observed trend of ferromagnetism for all LSAM samples can be clearly explained by evidences of A-site doping, structural distortion around Mn atoms and mixing Mn3+/Mn4+ valence states.

Multipacting studies in elliptic SRF cavities

NASA Astrophysics Data System (ADS)

Prakash, Ram; Jana, Arup Ratan; Kumar, Vinit

2017-09-01

Multipacting is a resonant process, where the number of unwanted electrons resulting from a parasitic discharge rapidly grows to a larger value at some specific locations in a radio-frequency cavity. This results in a degradation of the cavity performance indicators (e.g. the quality factor Q and the maximum achievable accelerating gradient Eacc), and in the case of a superconducting radiofrequency (SRF) cavity, it leads to a quenching of superconductivity. Numerical simulations are essential to pre-empt the possibility of multipacting in SRF cavities, such that its design can be suitably refined to avoid this performance limiting phenomenon. Readily available computer codes (e.g.FishPact, MultiPac,CST-PICetc.) are widely used to simulate the phenomenon of multipacting in such cases. Most of the contemporary two dimensional (2D) codes such as FishPact, MultiPacetc. are unable to detect the multipacting in elliptic cavities because they use a simplistic secondary emission model, where it is assumed that all the secondary electrons are emitted with same energy. Some three-dimensional (3D) codes such as CST-PIC, which use a more realistic secondary emission model (Furman model) by following a probability distribution for the emission energy of secondary electrons, are able to correctly predict the occurrence of multipacting. These 3D codes however require large data handling and are slower than the 2D codes. In this paper, we report a detailed analysis of the multipacting phenomenon in elliptic SRF cavities and development of a 2D code to numerically simulate this phenomenon by employing the Furman model to simulate the secondary emission process. Since our code is 2D, it is faster than the 3D codes. It is however as accurate as the contemporary 3D codes since it uses the Furman model for secondary emission. We have also explored the possibility to further simplify the Furman model, which enables us to quickly estimate the growth rate of multipacting without performing any multi-particle simulation. This methodology has been employed along with computer code for the detailed analysis of multipacting in βg = 0 . 61 and βg = 0 . 9, 650 MHz elliptic SRF cavities that we have recently designed for the medium and high energy section of the proposed Indian Spallation Neutron Source (ISNS) project.

PopCORN: Hunting down the differences between binary population synthesis codes

NASA Astrophysics Data System (ADS)

Toonen, S.; Claeys, J. S. W.; Mennekens, N.; Ruiter, A. J.

2014-02-01

Context. Binary population synthesis (BPS) modelling is a very effective tool to study the evolution and properties of various types of close binary systems. The uncertainty in the parameters of the model and their effect on a population can be tested in a statistical way, which then leads to a deeper understanding of the underlying (sometimes poorly understood) physical processes involved. Several BPS codes exist that have been developed with different philosophies and aims. Although BPS has been very successful for studies of many populations of binary stars, in the particular case of the study of the progenitors of supernovae Type Ia, the predicted rates and ZAMS progenitors vary substantially between different BPS codes. Aims: To understand the predictive power of BPS codes, we study the similarities and differences in the predictions of four different BPS codes for low- and intermediate-mass binaries. We investigate the differences in the characteristics of the predicted populations, and whether they are caused by different assumptions made in the BPS codes or by numerical effects, e.g. a lack of accuracy in BPS codes. Methods: We compare a large number of evolutionary sequences for binary stars, starting with the same initial conditions following the evolution until the first (and when applicable, the second) white dwarf (WD) is formed. To simplify the complex problem of comparing BPS codes that are based on many (often different) assumptions, we equalise the assumptions as much as possible to examine the inherent differences of the four BPS codes. Results: We find that the simulated populations are similar between the codes. Regarding the population of binaries with one WD, there is very good agreement between the physical characteristics, the evolutionary channels that lead to the birth of these systems, and their birthrates. Regarding the double WD population, there is a good agreement on which evolutionary channels exist to create double WDs and a rough agreement on the characteristics of the double WD population. Regarding which progenitor systems lead to a single and double WD system and which systems do not, the four codes agree well. Most importantly, we find that for these two populations, the differences in the predictions from the four codes are not due to numerical differences, but because of different inherent assumptions. We identify critical assumptions for BPS studies that need to be studied in more detail. Appendices are available in electronic form at http://www.aanda.org

The determination of measures of software reliability

NASA Technical Reports Server (NTRS)

Maxwell, F. D.; Corn, B. C.

1978-01-01

Measurement of software reliability was carried out during the development of data base software for a multi-sensor tracking system. The failure ratio and failure rate were found to be consistent measures. Trend lines could be established from these measurements that provide good visualization of the progress on the job as a whole as well as on individual modules. Over one-half of the observed failures were due to factors associated with the individual run submission rather than with the code proper. Possible application of these findings for line management, project managers, functional management, and regulatory agencies is discussed. Steps for simplifying the measurement process and for use of these data in predicting operational software reliability are outlined.

Simplified, inverse, ejector design tool

NASA Technical Reports Server (NTRS)

Dechant, Lawrence J.

1993-01-01

A simple lumped parameter based inverse design tool has been developed which provides flow path geometry and entrainment estimates subject to operational, acoustic, and design constraints. These constraints are manifested through specification of primary mass flow rate or ejector thrust, fully-mixed exit velocity, and static pressure matching. Fundamentally, integral forms of the conservation equations coupled with the specified design constraints are combined to yield an easily invertible linear system in terms of the flow path cross-sectional areas. Entrainment is computed by back substitution. Initial comparison with experimental and analogous one-dimensional methods show good agreement. Thus, this simple inverse design code provides an analytically based, preliminary design tool with direct application to High Speed Civil Transport (HSCT) design studies.

uPy: a ubiquitous computer graphics Python API with Biological Modeling Applications

PubMed Central

Autin, L.; Johnson, G.; Hake, J.; Olson, A.; Sanner, M.

2015-01-01

In this paper we describe uPy, an extension module for the Python programming language that provides a uniform abstraction of the APIs of several 3D computer graphics programs called hosts, including: Blender, Maya, Cinema4D, and DejaVu. A plugin written with uPy is a unique piece of code that will run in all uPy-supported hosts. We demonstrate the creation of complex plug-ins for molecular/cellular modeling and visualization and discuss how uPy can more generally simplify programming for many types of projects (not solely science applications) intended for multi-host distribution. uPy is available at http://upy.scripps.edu PMID:24806987

Many-body formulation of carriers capture time in quantum dots applicable in device simulation codes

NASA Astrophysics Data System (ADS)

Vallone, Marco

2010-03-01

We present an application of Green's functions formalism to calculate in a simplified but rigorous way electrons and holes capture time in quantum dots in closed form as function of carrier density, levels confinement potential, and temperature. Carrier-carrier (Auger) scattering and single LO-phonon emission are both addressed accounting for dynamic effects of the potential screening in the single plasmon pole approximation of the dielectric function. Regarding the LO-phonons interaction, the formulation evidences the role of the dynamic screening from wetting-layer carriers in comparison with its static limit, describes the interplay between screening and Fermi band filling, and offers simple expressions for capture time, suitable for modeling implementation.

An improvement of quantum parametric methods by using SGSA parameterization technique and new elementary parametric functionals

NASA Astrophysics Data System (ADS)

Sánchez, M.; Oldenhof, M.; Freitez, J. A.; Mundim, K. C.; Ruette, F.

A systematic improvement of parametric quantum methods (PQM) is performed by considering: (a) a new application of parameterization procedure to PQMs and (b) novel parametric functionals based on properties of elementary parametric functionals (EPF) [Ruette et al., Int J Quantum Chem 2008, 108, 1831]. Parameterization was carried out by using the simplified generalized simulated annealing (SGSA) method in the CATIVIC program. This code has been parallelized and comparison with MOPAC/2007 (PM6) and MINDO/SR was performed for a set of molecules with C=C, C=H, and H=H bonds. Results showed better accuracy than MINDO/SR and MOPAC-2007 for a selected trial set of molecules.

Reliability measurement during software development. [for a multisensor tracking system

NASA Technical Reports Server (NTRS)

Hecht, H.; Sturm, W. A.; Trattner, S.

1977-01-01

During the development of data base software for a multi-sensor tracking system, reliability was measured. The failure ratio and failure rate were found to be consistent measures. Trend lines were established from these measurements that provided good visualization of the progress on the job as a whole as well as on individual modules. Over one-half of the observed failures were due to factors associated with the individual run submission rather than with the code proper. Possible application of these findings for line management, project managers, functional management, and regulatory agencies is discussed. Steps for simplifying the measurement process and for use of these data in predicting operational software reliability are outlined.

Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1992-01-01

The goal was the design and implementation of software to be used in the conceptual design of aerospace vehicles. Several packages and design studies were completed, including two software tools currently used in the conceptual level design of aerospace vehicles. These tools are the Solid Modeling Aerospace Research Tool (SMART) and the Environment for Software Integration and Execution (EASIE). SMART provides conceptual designers with a rapid prototyping capability and additionally provides initial mass property analysis. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand alone analysis codes that result in the streamlining of the exchange of data between programs, reducing errors and improving efficiency.

The Design of Integrated Information System for High Voltage Metering Lab

NASA Astrophysics Data System (ADS)

Ma, Yan; Yang, Yi; Xu, Guangke; Gu, Chao; Zou, Lida; Yang, Feng

2018-01-01

With the development of smart grid, intelligent and informatization management of high-voltage metering lab become increasingly urgent. In the paper we design an integrated information system, which automates the whole transactions from accepting instruments, make experiments, generating report, report signature to instrument claims. Through creating database for all the calibrated instruments, using two-dimensional code, integrating report templates in advance, establishing bookmarks and online transmission of electronical signatures, our manual procedures reduce largely. These techniques simplify the complex process of account management and report transmission. After more than a year of operation, our work efficiency improves about forty percent averagely, and its accuracy rate and data reliability are much higher as well.

DeNovoGUI: An Open Source Graphical User Interface for de Novo Sequencing of Tandem Mass Spectra

PubMed Central

2013-01-01

De novo sequencing is a popular technique in proteomics for identifying peptides from tandem mass spectra without having to rely on a protein sequence database. Despite the strong potential of de novo sequencing algorithms, their adoption threshold remains quite high. We here present a user-friendly and lightweight graphical user interface called DeNovoGUI for running parallelized versions of the freely available de novo sequencing software PepNovo+, greatly simplifying the use of de novo sequencing in proteomics. Our platform-independent software is freely available under the permissible Apache2 open source license. Source code, binaries, and additional documentation are available at http://denovogui.googlecode.com. PMID:24295440

DeNovoGUI: an open source graphical user interface for de novo sequencing of tandem mass spectra.

PubMed

Muth, Thilo; Weilnböck, Lisa; Rapp, Erdmann; Huber, Christian G; Martens, Lennart; Vaudel, Marc; Barsnes, Harald

2014-02-07

De novo sequencing is a popular technique in proteomics for identifying peptides from tandem mass spectra without having to rely on a protein sequence database. Despite the strong potential of de novo sequencing algorithms, their adoption threshold remains quite high. We here present a user-friendly and lightweight graphical user interface called DeNovoGUI for running parallelized versions of the freely available de novo sequencing software PepNovo+, greatly simplifying the use of de novo sequencing in proteomics. Our platform-independent software is freely available under the permissible Apache2 open source license. Source code, binaries, and additional documentation are available at http://denovogui.googlecode.com .

New fast DCT algorithms based on Loeffler's factorization

NASA Astrophysics Data System (ADS)

Hong, Yoon Mi; Kim, Il-Koo; Lee, Tammy; Cheon, Min-Su; Alshina, Elena; Han, Woo-Jin; Park, Jeong-Hoon

2012-10-01

This paper proposes a new 32-point fast discrete cosine transform (DCT) algorithm based on the Loeffler's 16-point transform. Fast integer realizations of 16-point and 32-point transforms are also provided based on the proposed transform. For the recent development of High Efficiency Video Coding (HEVC), simplified quanti-zation and de-quantization process are proposed. Three different forms of implementation with the essentially same performance, namely matrix multiplication, partial butterfly, and full factorization can be chosen accord-ing to the given platform. In terms of the number of multiplications required for the realization, our proposed full-factorization is 3~4 times faster than a partial butterfly, and about 10 times faster than direct matrix multiplication.

Pteros: fast and easy to use open-source C++ library for molecular analysis.

PubMed

Yesylevskyy, Semen O

2012-07-15

An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. Copyright © 2012 Wiley Periodicals, Inc.

On Complexities of Impact Simulation of Fiber Reinforced Polymer Composites: A Simplified Modeling Framework

PubMed Central

Alemi-Ardakani, M.; Milani, A. S.; Yannacopoulos, S.

2014-01-01

Impact modeling of fiber reinforced polymer composites is a complex and challenging task, in particular for practitioners with less experience in advanced coding and user-defined subroutines. Different numerical algorithms have been developed over the past decades for impact modeling of composites, yet a considerable gap often exists between predicted and experimental observations. In this paper, after a review of reported sources of complexities in impact modeling of fiber reinforced polymer composites, two simplified approaches are presented for fast simulation of out-of-plane impact response of these materials considering four main effects: (a) strain rate dependency of the mechanical properties, (b) difference between tensile and flexural bending responses, (c) delamination, and (d) the geometry of fixture (clamping conditions). In the first approach, it is shown that by applying correction factors to the quasistatic material properties, which are often readily available from material datasheets, the role of these four sources in modeling impact response of a given composite may be accounted for. As a result a rough estimation of the dynamic force response of the composite can be attained. To show the application of the approach, a twill woven polypropylene/glass reinforced thermoplastic composite laminate has been tested under 200 J impact energy and was modeled in Abaqus/Explicit via the built-in Hashin damage criteria. X-ray microtomography was used to investigate the presence of delamination inside the impacted sample. Finally, as a second and much simpler modeling approach it is shown that applying only a single correction factor over all material properties at once can still yield a reasonable prediction. Both advantages and limitations of the simplified modeling framework are addressed in the performed case study. PMID:25431787

Building Roof Segmentation from Aerial Images Using a Line-and Region-Based Watershed Segmentation Technique

PubMed Central

Merabet, Youssef El; Meurie, Cyril; Ruichek, Yassine; Sbihi, Abderrahmane; Touahni, Raja

2015-01-01

In this paper, we present a novel strategy for roof segmentation from aerial images (orthophotoplans) based on the cooperation of edge- and region-based segmentation methods. The proposed strategy is composed of three major steps. The first one, called the pre-processing step, consists of simplifying the acquired image with an appropriate couple of invariant and gradient, optimized for the application, in order to limit illumination changes (shadows, brightness, etc.) affecting the images. The second step is composed of two main parallel treatments: on the one hand, the simplified image is segmented by watershed regions. Even if the first segmentation of this step provides good results in general, the image is often over-segmented. To alleviate this problem, an efficient region merging strategy adapted to the orthophotoplan particularities, with a 2D modeling of roof ridges technique, is applied. On the other hand, the simplified image is segmented by watershed lines. The third step consists of integrating both watershed segmentation strategies into a single cooperative segmentation scheme in order to achieve satisfactory segmentation results. Tests have been performed on orthophotoplans containing 100 roofs with varying complexity, and the results are evaluated with the VINETcriterion using ground-truth image segmentation. A comparison with five popular segmentation techniques of the literature demonstrates the effectiveness and the reliability of the proposed approach. Indeed, we obtain a good segmentation rate of 96% with the proposed method compared to 87.5% with statistical region merging (SRM), 84% with mean shift, 82% with color structure code (CSC), 80% with efficient graph-based segmentation algorithm (EGBIS) and 71% with JSEG. PMID:25648706

Elbow stress indices using finite element analysis

NASA Astrophysics Data System (ADS)

Yu, Lixin

Section III of the ASME Boiler and Pressure Vessel Code (the Code) specifies rules for the design of nuclear power plant components. NB-3600 of the Code presents a simplified design method using stress indices---Scalar Coefficients used the modify straight pipe stress equations so that they can be applied to elbows, tees and other piping components. The stress indices of piping components are allowed to be determined both analytically and experimentally. This study concentrates on the determination of B2 stress indices for elbow components using finite element analysis (FEA). First, the previous theoretical, numerical and experimental investigations on elbow behavior were comprehensively reviewed, as was the philosophy behind the use of stress indices. The areas of further research was defined. Then, a comprehensive investigation was carried out to determine how the finite element method should be used to correctly simulate an elbow's structural behavior. This investigation included choice of element type, convergence of mesh density, use of boundary restraint and a reconciliation study between FEA and laboratory experiments or other theoretical formulations in both elastic and elasto-plastic domain. Results from different computer programs were also compared. Reasonably good reconciliation was obtained. Appendix II of the Code describes the experimental method to determine B2 stress indices based on load-deflection curves. This procedure was used to compute the B2 stress indices for various loading modes on one particular elbow configuration. The B2 stress indices thus determined were found to be about half of the value calculated from the Code equation. Then the effect on B2 stress indices of those factors such as internal pressure and flange attachments were studied. Finally, the investigation was extended to other configurations of elbow components. A parametric study was conducted on different elbow sizes and schedules. Regression analysis was then used to obtain a modified coefficient and exponent for the Code equation used to calculate B2 index for elbows.

Thermally activated rotational disorder in CaMoO 4 nanocrystals

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

Culver, Sean P.; Brutchey, Richard L.

2016-04-12

In this study, a dual-space approach, combining Rietveld and pair distribution function (PDF) analyses, has been applied to temperature-dependent synchrotron X-ray total scattering data collected on vapor diffusion sol–gel derived CaMoO 4 nanocrystals. A sharp transition in Ca–O bond distances in the range of 151–163 K was identified by PDF analysis, which is attributed to the thermal activation of rotational disorder associated with the rigid MoO 4 tetrahedra.

Assessing Fan Flutter Stability in the Presence of Inlet Distortion Using One-way and Two-way Coupled Methods

NASA Technical Reports Server (NTRS)

Herrick, Gregory P.

2014-01-01

Concerns regarding noise, propulsive efficiency, and fuel burn are inspiring aircraft designs wherein the propulsive turbomachines are partially (or fully) embedded within the airframe; such designs present serious concerns with regard to aerodynamic and aeromechanic performance of the compression system in response to inlet distortion. Previously, a preliminary design of a forward-swept high-speed fan exhibited flutter concerns in cleaninlet flows, and the present author then studied this fan further in the presence of off-design distorted in-flows. Continuing this research, a three-dimensional, unsteady, Navier-Stokes computational fluid dynamics code is again applied to analyze and corroborate fan performance with clean inlet flow and now with a simplified, sinusoidal distortion of total pressure at the aerodynamic interface plane. This code, already validated in its application to assess aerodynamic damping of vibrating blades at various flow conditions using a one-way coupled energy-exchange approach, is modified to include a two-way coupled time-marching aeroelastic simulation capability. The two coupling methods are compared in their evaluation of flutter stability in the presence of distorted in-flows.

PARALLELISATION OF THE MODEL-BASED ITERATIVE RECONSTRUCTION ALGORITHM DIRA.

PubMed

Örtenberg, A; Magnusson, M; Sandborg, M; Alm Carlsson, G; Malusek, A

2016-06-01

New paradigms for parallel programming have been devised to simplify software development on multi-core processors and many-core graphical processing units (GPU). Despite their obvious benefits, the parallelisation of existing computer programs is not an easy task. In this work, the use of the Open Multiprocessing (OpenMP) and Open Computing Language (OpenCL) frameworks is considered for the parallelisation of the model-based iterative reconstruction algorithm DIRA with the aim to significantly shorten the code's execution time. Selected routines were parallelised using OpenMP and OpenCL libraries; some routines were converted from MATLAB to C and optimised. Parallelisation of the code with the OpenMP was easy and resulted in an overall speedup of 15 on a 16-core computer. Parallelisation with OpenCL was more difficult owing to differences between the central processing unit and GPU architectures. The resulting speedup was substantially lower than the theoretical peak performance of the GPU; the cause was explained. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dose estimation for astronauts using dose conversion coefficients calculated with the PHITS code and the ICRP/ICRU adult reference computational phantoms.

PubMed

Sato, Tatsuhiko; Endo, Akira; Sihver, Lembit; Niita, Koji

2011-03-01

Absorbed-dose and dose-equivalent rates for astronauts were estimated by multiplying fluence-to-dose conversion coefficients in the units of Gy.cm(2) and Sv.cm(2), respectively, and cosmic-ray fluxes around spacecrafts in the unit of cm(-2) s(-1). The dose conversion coefficients employed in the calculation were evaluated using the general-purpose particle and heavy ion transport code system PHITS coupled to the male and female adult reference computational phantoms, which were released as a common ICRP/ICRU publication. The cosmic-ray fluxes inside and near to spacecrafts were also calculated by PHITS, using simplified geometries. The accuracy of the obtained absorbed-dose and dose-equivalent rates was verified by various experimental data measured both inside and outside spacecrafts. The calculations quantitatively show that the effective doses for astronauts are significantly greater than their corresponding effective dose equivalents, because of the numerical incompatibility between the radiation quality factors and the radiation weighting factors. These results demonstrate the usefulness of dose conversion coefficients in space dosimetry. © Springer-Verlag 2010

Evaluating bacterial gene-finding HMM structures as probabilistic logic programs.

PubMed

Mørk, Søren; Holmes, Ian

2012-03-01

Probabilistic logic programming offers a powerful way to describe and evaluate structured statistical models. To investigate the practicality of probabilistic logic programming for structure learning in bioinformatics, we undertook a simplified bacterial gene-finding benchmark in PRISM, a probabilistic dialect of Prolog. We evaluate Hidden Markov Model structures for bacterial protein-coding gene potential, including a simple null model structure, three structures based on existing bacterial gene finders and two novel model structures. We test standard versions as well as ADPH length modeling and three-state versions of the five model structures. The models are all represented as probabilistic logic programs and evaluated using the PRISM machine learning system in terms of statistical information criteria and gene-finding prediction accuracy, in two bacterial genomes. Neither of our implementations of the two currently most used model structures are best performing in terms of statistical information criteria or prediction performances, suggesting that better-fitting models might be achievable. The source code of all PRISM models, data and additional scripts are freely available for download at: http://github.com/somork/codonhmm. Supplementary data are available at Bioinformatics online.

PODIO: An Event-Data-Model Toolkit for High Energy Physics Experiments

NASA Astrophysics Data System (ADS)

Gaede, F.; Hegner, B.; Mato, P.

2017-10-01

PODIO is a C++ library that supports the automatic creation of event data models (EDMs) and efficient I/O code for HEP experiments. It is developed as a new EDM Toolkit for future particle physics experiments in the context of the AIDA2020 EU programme. Experience from LHC and the linear collider community shows that existing solutions partly suffer from overly complex data models with deep object-hierarchies or unfavorable I/O performance. The PODIO project was created in order to address these problems. PODIO is based on the idea of employing plain-old-data (POD) data structures wherever possible, while avoiding deep object-hierarchies and virtual inheritance. At the same time it provides the necessary high-level interface towards the developer physicist, such as the support for inter-object relations and automatic memory-management, as well as a Python interface. To simplify the creation of efficient data models PODIO employs code generation from a simple yaml-based markup language. In addition, it was developed with concurrency in mind in order to support the use of modern CPU features, for example giving basic support for vectorization techniques.

WinTRAX: A raytracing software package for the design of multipole focusing systems

NASA Astrophysics Data System (ADS)

Grime, G. W.

2013-07-01

The software package TRAX was a simulation tool for modelling the path of charged particles through linear cylindrical multipole fields described by analytical expressions and was a development of the earlier OXRAY program (Grime and Watt, 1983; Grime et al., 1982) [1,2]. In a 2005 comparison of raytracing software packages (Incerti et al., 2005) [3], TRAX/OXRAY was compared with Geant4 and Zgoubi and was found to give close agreement with the more modern codes. TRAX was a text-based program which was only available for operation in a now rare VMS workstation environment, so a new program, WinTRAX, has been developed for the Windows operating system. This implements the same basic computing strategy as TRAX, and key sections of the code are direct translations from FORTRAN to C++, but the Windows environment is exploited to make an intuitive graphical user interface which simplifies and enhances many operations including system definition and storage, optimisation, beam simulation (including with misaligned elements) and aberration coefficient determination. This paper describes the program and presents comparisons with other software and real installations.

Experimental and computational data from a small rocket exhaust diffuser

NASA Astrophysics Data System (ADS)

Stephens, Samuel E.

1993-06-01

The Diagnostics Testbed Facility (DTF) at the NASA Stennis Space Center in Mississippi is a versatile facility that is used primarily to aid in the development of nonintrusive diagnostics for liquid rocket engine testing. The DTF consists of a fixed, 1200 lbf thrust, pressure fed, liquid oxygen/gaseous hydrogen rocket engine, and associated support systems. An exhaust diffuser has been fabricated and installed to provide subatmospheric pressures at the exit of the engine. The diffuser aerodynamic design was calculated prior to fabrication using the PARC Navier-Stokes computational fluid dynamics code. The diffuser was then fabricated and tested at the DTF. Experimental data from these tests were acquired to determine the operational characteristics of the system and to correlate the actual and predicted flow fields. The results show that a good engineering approximation of overall diffuser performance can be made using the PARC Navier-Stokes code and a simplified geometry. Correlations between actual and predicted cell pressure and initial plume expansion in the diffuser are good; however, the wall pressure profiles do not correlate as well with the experimental data.

Remote control system for high-perfomance computer simulation of crystal growth by the PFC method

NASA Astrophysics Data System (ADS)

Pavlyuk, Evgeny; Starodumov, Ilya; Osipov, Sergei

2017-04-01

Modeling of crystallization process by the phase field crystal method (PFC) - one of the important directions of modern computational materials science. In this paper, the practical side of the computer simulation of the crystallization process by the PFC method is investigated. To solve problems using this method, it is necessary to use high-performance computing clusters, data storage systems and other often expensive complex computer systems. Access to such resources is often limited, unstable and accompanied by various administrative problems. In addition, the variety of software and settings of different computing clusters sometimes does not allow researchers to use unified program code. There is a need to adapt the program code for each configuration of the computer complex. The practical experience of the authors has shown that the creation of a special control system for computing with the possibility of remote use can greatly simplify the implementation of simulations and increase the performance of scientific research. In current paper we show the principal idea of such a system and justify its efficiency.

Mayo clinic NLP system for patient smoking status identification.

PubMed

Savova, Guergana K; Ogren, Philip V; Duffy, Patrick H; Buntrock, James D; Chute, Christopher G

2008-01-01

This article describes our system entry for the 2006 I2B2 contest "Challenges in Natural Language Processing for Clinical Data" for the task of identifying the smoking status of patients. Our system makes the simplifying assumption that patient-level smoking status determination can be achieved by accurately classifying individual sentences from a patient's record. We created our system with reusable text analysis components built on the Unstructured Information Management Architecture and Weka. This reuse of code minimized the development effort related specifically to our smoking status classifier. We report precision, recall, F-score, and 95% exact confidence intervals for each metric. Recasting the classification task for the sentence level and reusing code from other text analysis projects allowed us to quickly build a classification system that performs with a system F-score of 92.64 based on held-out data tests and of 85.57 on the formal evaluation data. Our general medical natural language engine is easily adaptable to a real-world medical informatics application. Some of the limitations as applied to the use-case are negation detection and temporal resolution.

QR-on-a-chip: a computer-recognizable micro-pattern engraved microfluidic device for high-throughput image acquisition.

PubMed

Yun, Kyungwon; Lee, Hyunjae; Bang, Hyunwoo; Jeon, Noo Li

2016-02-21

This study proposes a novel way to achieve high-throughput image acquisition based on a computer-recognizable micro-pattern implemented on a microfluidic device. We integrated the QR code, a two-dimensional barcode system, onto the microfluidic device to simplify imaging of multiple ROIs (regions of interest). A standard QR code pattern was modified to arrays of cylindrical structures of polydimethylsiloxane (PDMS). Utilizing the recognition of the micro-pattern, the proposed system enables: (1) device identification, which allows referencing additional information of the device, such as device imaging sequences or the ROIs and (2) composing a coordinate system for an arbitrarily located microfluidic device with respect to the stage. Based on these functionalities, the proposed method performs one-step high-throughput imaging for data acquisition in microfluidic devices without further manual exploration and locating of the desired ROIs. In our experience, the proposed method significantly reduced the time for the preparation of an acquisition. We expect that the method will innovatively improve the prototype device data acquisition and analysis.

Condensation model for the ESBWR passive condensers

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

Revankar, S. T.; Zhou, W.; Wolf, B.

2012-07-01

In the General Electric's Economic simplified boiling water reactor (GE-ESBWR) the passive containment cooling system (PCCS) plays a major role in containment pressure control in case of an loss of coolant accident. The PCCS condenser must be able to remove sufficient energy from the reactor containment to prevent containment from exceeding its design pressure following a design basis accident. There are three PCCS condensation modes depending on the containment pressurization due to coolant discharge; complete condensation, cyclic venting and flow through mode. The present work reviews the models and presents model predictive capability along with comparison with existing data frommore » separate effects test. The condensation models in thermal hydraulics code RELAP5 are also assessed to examine its application to various flow modes of condensation. The default model in the code predicts complete condensation well, and basically is Nusselt solution. The UCB model predicts through flow well. None of condensation model in RELAP5 predict complete condensation, cyclic venting, and through flow condensation consistently. New condensation correlations are given that accurately predict all three modes of PCCS condensation. (authors)« less

Modeling of the Very Low Frequency (VLF) radio wave signal profile due to solar flares using the GEANT4 Monte Carlo simulation coupled with ionospheric chemistry

NASA Astrophysics Data System (ADS)

Palit, S.; Basak, T.; Mondal, S. K.; Pal, S.; Chakrabarti, S. K.

2013-03-01

X-ray photons emitted during solar flares cause ionization in the lower ionosphere (~ 60 to 100 km) in excess of what is expected from a quiet sun. Very Low Frequency (VLF) radio wave signals reflected from the D region are affected by this excess ionization. In this paper, we reproduce the deviation in VLF signal strength during solar flares by numerical modeling. We use GEANT4 Monte Carlo simulation code to compute the rate of ionization due to a M-class and a X-class flare. The output of the simulation is then used in a simplified ionospheric chemistry model to calculate the time variation of electron density at different altitudes in the lower ionosphere. The resulting electron density variation profile is then self-consistently used in the LWPC code to obtain the time variation of the VLF signal change. We did the modeling of the VLF signal along the NWC (Australia) to IERC/ICSP (India) propagation path and compared the results with observations. The agreement is found to be very satisfactory.

Assessing Fan Flutter Stability in Presence of Inlet Distortion Using One-Way and Two-Way Coupled Methods

NASA Technical Reports Server (NTRS)

Herrick, Gregory P.

2014-01-01

Concerns regarding noise, propulsive efficiency, and fuel burn are inspiring aircraft designs wherein the propulsive turbomachines are partially (or fully) embedded within the airframe; such designs present serious concerns with regard to aerodynamic and aeromechanic performance of the compression system in response to inlet distortion. Previously, a preliminary design of a forward-swept high-speed fan exhibited flutter concerns in clean-inlet flows, and the present author then studied this fan further in the presence of off-design distorted in-flows. Continuing this research, a three-dimensional, unsteady, Navier-Stokes computational fluid dynamics code is again applied to analyze and corroborate fan performance with clean inlet flow and now with a simplified, sinusoidal distortion of total pressure at the aerodynamic interface plane. This code, already validated in its application to assess aerodynamic damping of vibrating blades at various flow conditions using a one-way coupled energy-exchange approach, is modified to include a two-way coupled timemarching aeroelastic simulation capability. The two coupling methods are compared in their evaluation of flutter stability in the presence of distorted in-flows.

A high quality voice coder with integrated echo canceller and voice activity detector for mobile satellite applications

NASA Technical Reports Server (NTRS)

Kondoz, A. M.; Evans, B. G.

1993-01-01

In the last decade, low bit rate speech coding research has received much attention resulting in newly developed, good quality, speech coders operating at as low as 4.8 Kb/s. Although speech quality at around 8 Kb/s is acceptable for a wide variety of applications, at 4.8 Kb/s more improvements in quality are necessary to make it acceptable to the majority of applications and users. In addition to the required low bit rate with acceptable speech quality, other facilities such as integrated digital echo cancellation and voice activity detection are now becoming necessary to provide a cost effective and compact solution. In this paper we describe a CELP speech coder with integrated echo canceller and a voice activity detector all of which have been implemented on a single DSP32C with 32 KBytes of SRAM. The quality of CELP coded speech has been improved significantly by a new codebook implementation which also simplifies the encoder/decoder complexity making room for the integration of a 64-tap echo canceller together with a voice activity detector.

Active Learning for Directed Exploration of Complex Systems

NASA Technical Reports Server (NTRS)

Burl, Michael C.; Wang, Esther

2009-01-01

Physics-based simulation codes are widely used in science and engineering to model complex systems that would be infeasible to study otherwise. Such codes provide the highest-fidelity representation of system behavior, but are often so slow to run that insight into the system is limited. For example, conducting an exhaustive sweep over a d-dimensional input parameter space with k-steps along each dimension requires k(sup d) simulation trials (translating into k(sup d) CPU-days for one of our current simulations). An alternative is directed exploration in which the next simulation trials are cleverly chosen at each step. Given the results of previous trials, supervised learning techniques (SVM, KDE, GP) are applied to build up simplified predictive models of system behavior. These models are then used within an active learning framework to identify the most valuable trials to run next. Several active learning strategies are examined including a recently-proposed information-theoretic approach. Performance is evaluated on a set of thirteen synthetic oracles, which serve as surrogates for the more expensive simulations and enable the experiments to be replicated by other researchers.

Graphical Methods for Reducing, Visualizing and Analyzing Large Data Sets Using Hierarchical Terminologies

PubMed Central

Jing, Xia; Cimino, James J.

2011-01-01

Objective: To explore new graphical methods for reducing and analyzing large data sets in which the data are coded with a hierarchical terminology. Methods: We use a hierarchical terminology to organize a data set and display it in a graph. We reduce the size and complexity of the data set by considering the terminological structure and the data set itself (using a variety of thresholds) as well as contributions of child level nodes to parent level nodes. Results: We found that our methods can reduce large data sets to manageable size and highlight the differences among graphs. The thresholds used as filters to reduce the data set can be used alone or in combination. We applied our methods to two data sets containing information about how nurses and physicians query online knowledge resources. The reduced graphs make the differences between the two groups readily apparent. Conclusions: This is a new approach to reduce size and complexity of large data sets and to simplify visualization. This approach can be applied to any data sets that are coded with hierarchical terminologies. PMID:22195119

A microkernel design for component-based parallel numerical software systems.

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

Balay, S.

1999-01-13

What is the minimal software infrastructure and what type of conventions are needed to simplify development of sophisticated parallel numerical application codes using a variety of software components that are not necessarily available as source code? We propose an opaque object-based model where the objects are dynamically loadable from the file system or network. The microkernel required to manage such a system needs to include, at most: (1) a few basic services, namely--a mechanism for loading objects at run time via dynamic link libraries, and consistent schemes for error handling and memory management; and (2) selected methods that all objectsmore » share, to deal with object life (destruction, reference counting, relationships), and object observation (viewing, profiling, tracing). We are experimenting with these ideas in the context of extensible numerical software within the ALICE (Advanced Large-scale Integrated Computational Environment) project, where we are building the microkernel to manage the interoperability among various tools for large-scale scientific simulations. This paper presents some preliminary observations and conclusions from our work with microkernel design.« less

Fault-tolerance in Two-dimensional Topological Systems

NASA Astrophysics Data System (ADS)

Anderson, Jonas T.

This thesis is a collection of ideas with the general goal of building, at least in the abstract, a local fault-tolerant quantum computer. The connection between quantum information and topology has proven to be an active area of research in several fields. The introduction of the toric code by Alexei Kitaev demonstrated the usefulness of topology for quantum memory and quantum computation. Many quantum codes used for quantum memory are modeled by spin systems on a lattice, with operators that extract syndrome information placed on vertices or faces of the lattice. It is natural to wonder whether the useful codes in such systems can be classified. This thesis presents work that leverages ideas from topology and graph theory to explore the space of such codes. Homological stabilizer codes are introduced and it is shown that, under a set of reasonable assumptions, any qubit homological stabilizer code is equivalent to either a toric code or a color code. Additionally, the toric code and the color code correspond to distinct classes of graphs. Many systems have been proposed as candidate quantum computers. It is very desirable to design quantum computing architectures with two-dimensional layouts and low complexity in parity-checking circuitry. Kitaev's surface codes provided the first example of codes satisfying this property. They provided a new route to fault tolerance with more modest overheads and thresholds approaching 1%. The recently discovered color codes share many properties with the surface codes, such as the ability to perform syndrome extraction locally in two dimensions. Some families of color codes admit a transversal implementation of the entire Clifford group. This work investigates color codes on the 4.8.8 lattice known as triangular codes. I develop a fault-tolerant error-correction strategy for these codes in which repeated syndrome measurements on this lattice generate a three-dimensional space-time combinatorial structure. I then develop an integer program that analyzes this structure and determines the most likely set of errors consistent with the observed syndrome values. I implement this integer program to find the threshold for depolarizing noise on small versions of these triangular codes. Because the threshold for magic-state distillation is likely to be higher than this value and because logical CNOT gates can be performed by code deformation in a single block instead of between pairs of blocks, the threshold for fault-tolerant quantum memory for these codes is also the threshold for fault-tolerant quantum computation with them. Since the advent of a threshold theorem for quantum computers much has been improved upon. Thresholds have increased, architectures have become more local, and gate sets have been simplified. The overhead for magic-state distillation has been studied, but not nearly to the extent of the aforementioned topics. A method for greatly reducing this overhead, known as reusable magic states, is studied here. While examples of reusable magic states exist for Clifford gates, I give strong reasons to believe they do not exist for non-Clifford gates.

Neutron-encoded Signatures Enable Product Ion Annotation From Tandem Mass Spectra*

PubMed Central

Richards, Alicia L.; Vincent, Catherine E.; Guthals, Adrian; Rose, Christopher M.; Westphall, Michael S.; Bandeira, Nuno; Coon, Joshua J.

2013-01-01

We report the use of neutron-encoded (NeuCode) stable isotope labeling of amino acids in cell culture for the purpose of C-terminal product ion annotation. Two NeuCode labeling isotopologues of lysine, 13C615N2 and 2H8, which differ by 36 mDa, were metabolically embedded in a sample proteome, and the resultant labeled proteins were combined, digested, and analyzed via liquid chromatography and mass spectrometry. With MS/MS scan resolving powers of ∼50,000 or higher, product ions containing the C terminus (i.e. lysine) appear as a doublet spaced by exactly 36 mDa, whereas N-terminal fragments exist as a single m/z peak. Through theory and experiment, we demonstrate that over 90% of all y-type product ions have detectable doublets. We report on an algorithm that can extract these neutron signatures with high sensitivity and specificity. In other words, of 15,503 y-type product ion peaks, the y-type ion identification algorithm correctly identified 14,552 (93.2%) based on detection of the NeuCode doublet; 6.8% were misclassified (i.e. other ion types that were assigned as y-type products). Searching NeuCode labeled yeast with PepNovo+ resulted in a 34% increase in correct de novo identifications relative to searching through MS/MS only. We use this tool to simplify spectra prior to database searching, to sort unmatched tandem mass spectra for spectral richness, for correlation of co-fragmented ions to their parent precursor, and for de novo sequence identification. PMID:24043425

Project MANTIS: A MANTle Induction Simulator for coupling geodynamic and electromagnetic modeling

NASA Astrophysics Data System (ADS)

Weiss, C. J.

2009-12-01

A key component to testing geodynamic hypotheses resulting from the 3D mantle convection simulations is the ability to easily translate the predicted physiochemical state to the model space relevant for an independent geophysical observation, such as earth's seismic, geodetic or electromagnetic response. In this contribution a new parallel code for simulating low-frequency, global-scale electromagnetic induction phenomena is introduced that has the same Earth discretization as the popular CitcomS mantle convection code. Hence, projection of the CitcomS model into the model space of electrical conductivity is greatly simplified, and focuses solely on the node-to-node, physics-based relationship between these Earth parameters without the need for "upscaling", "downscaling", averaging or harmonizing with some other model basis such as spherical harmonics. Preliminary performance tests of the MANTIS code on shared and distributed memory parallel compute platforms shows favorable scaling (>70% efficiency) for up to 500 processors. As with CitcomS, an OpenDX visualization widget (VISMAN) is also provided for 3D rendering and interactive interrogation of model results. Details of the MANTIS code will be briefly discussed here, focusing on compatibility with CitcomS modeling, as will be preliminary results in which the electromagnetic response of a CitcomS model is evaluated. VISMAN rendering of electrical tomography-derived electrical conductivity model overlain by an a 1x1 deg crustal conductivity map. Grey scale represents the log_10 magnitude of conductivity [S/m]. Arrows are horiztonal components of a hypothetical magnetospheric source field used to electromagnetically excite the conductivity model.

New Global 3D Upper to Mid-mantle Electrical Conductivity Model Based on Observatory Data with Realistic Auroral Sources

NASA Astrophysics Data System (ADS)

Kelbert, A.; Egbert, G. D.; Sun, J.

2011-12-01

Poleward of 45-50 degrees (geomagnetic) observatory data are influenced significantly by auroral ionospheric current systems, invalidating the simplifying zonal dipole source assumption traditionally used for long period (T > 2 days) geomagnetic induction studies. Previous efforts to use these data to obtain the global electrical conductivity distribution in Earth's mantle have omitted high-latitude sites (further thinning an already sparse dataset) and/or corrected the affected transfer functions using a highly simplified model of auroral source currents. Although these strategies are partly effective, there remain clear suggestions of source contamination in most recent 3D inverse solutions - specifically, bands of conductive features are found near auroral latitudes. We report on a new approach to this problem, based on adjusting both external field structure and 3D Earth conductivity to fit observatory data. As an initial step towards full joint inversion we are using a two step procedure. In the first stage, we adopt a simplified conductivity model, with a thin-sheet of variable conductance (to represent the oceans) overlying a 1D Earth, to invert observed magnetic fields for external source spatial structure. Input data for this inversion are obtained from frequency domain principal components (PC) analysis of geomagnetic observatory hourly mean values. To make this (essentially linear) inverse problem well-posed we regularize using covariances for source field structure that are consistent with well-established properties of auroral ionospheric (and magnetospheric) current systems, and basic physics of the EM fields. In the second stage, we use a 3D finite difference inversion code, with source fields estimated from the first stage, to further fit the observatory PC modes. We incorporate higher latitude data into the inversion, and maximize the amount of available information by directly inverting the magnetic field components of the PC modes, instead of transfer functions such as C-responses used previously. Recent improvements in accuracy and speed of the forward and inverse finite difference codes (a secondary field formulation and parallelization over frequencies) allow us to use finer computational grid for inversion, and thus to model finer scale features, making full use of the expanded data set. Overall, our approach presents an improvement over earlier observatory data interpretation techniques, making better use of the available data, and allowing to explore the trade-offs between complications in source structure, and heterogeneities in mantle conductivity. We will also report on progress towards applying the same approach to simultaneous source/conductivity inversion of shorter period observatory data, focusing especially on the daily variation band.

Report on an Assessment of the Application of EPP Results from the Strain Limit Evaluation Procedure to the Prediction of Cyclic Life Based on the SMT Methodology

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

Jetter, R. I.; Messner, M. C.; Sham, T. -L.

The goal of the proposed integrated Elastic Perfectly-Plastic (EPP) and Simplified Model Test (SMT) methodology is to incorporate an SMT data based approach for creep-fatigue damage evaluation into the EPP methodology to avoid the separate evaluation of creep and fatigue damage and eliminate the requirement for stress classification in current methods; thus greatly simplifying evaluation of elevated temperature cyclic service. This methodology should minimize over-conservatism while properly accounting for localized defects and stress risers. To support the implementation of the proposed methodology and to verify the applicability of the code rules, analytical studies and evaluation of thermomechanical test results continuedmore » in FY17. This report presents the results of those studies. An EPP strain limits methodology assessment was based on recent two-bar thermal ratcheting test results on 316H stainless steel in the temperature range of 405 to 7050C. Strain range predictions from the EPP evaluation of the two-bar tests were also evaluated and compared with the experimental results. The role of sustained primary loading on cyclic life was assessed using the results of pressurized SMT data from tests on Alloy 617 at 9500C. A viscoplastic material model was used in an analytic simulation of two-bar tests to compare with EPP strain limits assessments using isochronous stress strain curves that are consistent with the viscoplastic material model. A finite element model of a prior 304H stainless steel Oak Ridge National Laboratory (ORNL) nozzle-to-sphere test was developed and used for an EPP strain limits and creep-fatigue code case damage evaluations. A theoretical treatment of a recurring issue with convergence criteria for plastic shakedown illustrated the role of computer machine precision in EPP calculations.« less

Torque Limit for Bolted Joint for Composites. Part A; TTTC Properties of Laminated Composites

NASA Technical Reports Server (NTRS)

Zhao, Yi

2003-01-01

The existing design code for torque limit of bolted joints for composites at Marshall Space Flight Center is MSFC-STD-486B, which was originally developed in 1960s for metallic materials. The theoretical basis for this code was a simplified mechanics analysis, which takes into account only the bolt, nut and washers, but not the structural members to be connected. The assumption was that metallic materials would not fail due to the bearing stress at the contact area between washer and the mechanical member. This is true for metallic materials; but for composite materials the results could be completely different. Unlike most metallic materials, laminated composite materials have superior mechanical properties (such as modulus and strength) in the in-plane direction, but not in the out-of-plane, or through-the-thickness (TTT) direction. During the torquing, TTT properties (particularly compressive modulus and compressive strength) play a dominant role in composite failure. Because of this concern, structural design engineers at Marshall are currently using a compromised empirical approach: using 50% of the torque value for composite members. Companies like Boeing is using a similar approach. An initial study was conducted last summer on this topic to develop theoretical model(s) that takes into consideration of composite members. Two simplified models were developed based on stress failure criterion and strain failure criterion, respective. However, these models could not be used to predict the torque limit because of the unavailability of material data, specifically, through-the-thickness compression (TTTC) modulus and strength. Therefore, the task for this summer is to experimentally determine the TTTC properties. Due to the time limitation, only one material has been tested: IM7/8552 with [0 degrees,plus or minus 45 degrees, 90 degree ] configuration. This report focuses the test results and their significance, while the experimentation will be described in a separate report by Mr. Kris Kostreva.

Modeling the evolution of channel shape: Balancing computational efficiency with hydraulic fidelity

USGS Publications Warehouse

Wobus, C.W.; Kean, J.W.; Tucker, G.E.; Anderson, R. Scott

2008-01-01

The cross-sectional shape of a natural river channel controls the capacity of the system to carry water off a landscape, to convey sediment derived from hillslopes, and to erode its bed and banks. Numerical models that describe the response of a landscape to changes in climate or tectonics therefore require formulations that can accommodate evolution of channel cross-sectional geometry. However, fully two-dimensional (2-D) flow models are too computationally expensive to implement in large-scale landscape evolution models, while available simple empirical relationships between width and discharge do not adequately capture the dynamics of channel adjustment. We have developed a simplified 2-D numerical model of channel evolution in a cohesive, detachment-limited substrate subject to steady, unidirectional flow. Erosion is assumed to be proportional to boundary shear stress, which is calculated using an approximation of the flow field in which log-velocity profiles are assumed to apply along vectors that are perpendicular to the local channel bed. Model predictions of the velocity structure, peak boundary shear stress, and equilibrium channel shape compare well with predictions of a more sophisticated but more computationally demanding ray-isovel model. For example, the mean velocities computed by the two models are consistent to within ???3%, and the predicted peak shear stress is consistent to within ???7%. Furthermore, the shear stress distributions predicted by our model compare favorably with available laboratory measurements for prescribed channel shapes. A modification to our simplified code in which the flow includes a high-velocity core allows the model to be extended to estimate shear stress distributions in channels with large width-to-depth ratios. Our model is efficient enough to incorporate into large-scale landscape evolution codes and can be used to examine how channels adjust both cross-sectional shape and slope in response to tectonic and climatic forcing. Copyright 2008 by the American Geophysical Union.

Grid point extraction and coding for structured light system

NASA Astrophysics Data System (ADS)

Song, Zhan; Chung, Ronald

2011-09-01

A structured light system simplifies three-dimensional reconstruction by illuminating a specially designed pattern to the target object, thereby generating a distinct texture on it for imaging and further processing. Success of the system hinges upon what features are to be coded in the projected pattern, extracted in the captured image, and matched between the projector's display panel and the camera's image plane. The codes have to be such that they are largely preserved in the image data upon illumination from the projector, reflection from the target object, and projective distortion in the imaging process. The features also need to be reliably extracted in the image domain. In this article, a two-dimensional pseudorandom pattern consisting of rhombic color elements is proposed, and the grid points between the pattern elements are chosen as the feature points. We describe how a type classification of the grid points plus the pseudorandomness of the projected pattern can equip each grid point with a unique label that is preserved in the captured image. We also present a grid point detector that extracts the grid points without the need of segmenting the pattern elements, and that localizes the grid points in subpixel accuracy. Extensive experiments are presented to illustrate that, with the proposed pattern feature definition and feature detector, more features points in higher accuracy can be reconstructed in comparison with the existing pseudorandomly encoded structured light systems.

Experimental study of an off-axis three mirror anastigmatic system with wavefront coding technology.

PubMed

Yan, Feng; Tao, Xiaoping

2012-04-10

Wavefront coding (WFC) is a kind of computational imaging technique that controls defocus and defocus related aberrations of optical systems by introducing a specially designed phase distribution to the pupil function. This technology has been applied in many imaging systems to improve performance and/or reduce cost. The application of WFC technology in an off-axis three mirror anastigmatic (TMA) system has been proposed, and the design and optimization of optics, the restoration of degraded images, and the manufacturing of wavefront coded elements have been researched in our previous work. In this paper, we describe the alignment, the imaging experiment, and the image restoration of the off-axis TMA system with WFC technology. The ideal wavefront map is set to be the system error of the interferometer to simplify the assembly, and the coefficients of certain Zernike polynomials are monitored to verify the result in the alignment process. A pinhole of 20 μm diameter and the third plate of WT1005-62 resolution patterns are selected as the targets in the imaging experiment. The comparison of the tail lengths of point spread functions is represented to show the invariance of the image quality in the extended depth of focus. The structure similarity is applied to estimate the relationship among the captured images with varying defocus. We conclude that the experiment results agree with the earlier theoretical analysis.

Flow of GE90 Turbofan Engine Simulated

NASA Technical Reports Server (NTRS)

Veres, Joseph P.

1999-01-01

The objective of this task was to create and validate a three-dimensional model of the GE90 turbofan engine (General Electric) using the APNASA (average passage) flow code. This was a joint effort between GE Aircraft Engines and the NASA Lewis Research Center. The goal was to perform an aerodynamic analysis of the engine primary flow path, in under 24 hours of CPU time, on a parallel distributed workstation system. Enhancements were made to the APNASA Navier-Stokes code to make it faster and more robust and to allow for the analysis of more arbitrary geometry. The resulting simulation exploited the use of parallel computations by using two levels of parallelism, with extremely high efficiency.The primary flow path of the GE90 turbofan consists of a nacelle and inlet, 49 blade rows of turbomachinery, and an exhaust nozzle. Secondary flows entering and exiting the primary flow path-such as bleed, purge, and cooling flows-were modeled macroscopically as source terms to accurately simulate the engine. The information on these source terms came from detailed descriptions of the cooling flow and from thermodynamic cycle system simulations. These provided boundary condition data to the three-dimensional analysis. A simplified combustor was used to feed boundary conditions to the turbomachinery. Flow simulations of the fan, high-pressure compressor, and high- and low-pressure turbines were completed with the APNASA code.

The InSAR Scientific Computing Environment

NASA Technical Reports Server (NTRS)

Rosen, Paul A.; Gurrola, Eric; Sacco, Gian Franco; Zebker, Howard

2012-01-01

We have developed a flexible and extensible Interferometric SAR (InSAR) Scientific Computing Environment (ISCE) for geodetic image processing. ISCE was designed from the ground up as a geophysics community tool for generating stacks of interferograms that lend themselves to various forms of time-series analysis, with attention paid to accuracy, extensibility, and modularity. The framework is python-based, with code elements rigorously componentized by separating input/output operations from the processing engines. This allows greater flexibility and extensibility in the data models, and creates algorithmic code that is less susceptible to unnecessary modification when new data types and sensors are available. In addition, the components support provenance and checkpointing to facilitate reprocessing and algorithm exploration. The algorithms, based on legacy processing codes, have been adapted to assume a common reference track approach for all images acquired from nearby orbits, simplifying and systematizing the geometry for time-series analysis. The framework is designed to easily allow user contributions, and is distributed for free use by researchers. ISCE can process data from the ALOS, ERS, EnviSAT, Cosmo-SkyMed, RadarSAT-1, RadarSAT-2, and TerraSAR-X platforms, starting from Level-0 or Level 1 as provided from the data source, and going as far as Level 3 geocoded deformation products. With its flexible design, it can be extended with raw/meta data parsers to enable it to work with radar data from other platforms

Interferenceless coded aperture correlation holography-a new technique for recording incoherent digital holograms without two-wave interference.

PubMed

Vijayakumar, A; Rosen, Joseph

2017-06-12

Recording digital holograms without wave interference simplifies the optical systems, increases their power efficiency and avoids complicated aligning procedures. We propose and demonstrate a new technique of digital hologram acquisition without two-wave interference. Incoherent light emitted from an object propagates through a random-like coded phase mask and recorded directly without interference by a digital camera. In the training stage of the system, a point spread hologram (PSH) is first recorded by modulating the light diffracted from a point object by the coded phase masks. At least two different masks should be used to record two different intensity distributions at all possible axial locations. The various recorded patterns at every axial location are superposed in the computer to obtain a complex valued PSH library cataloged to its axial location. Following the training stage, an object is placed within the axial boundaries of the PSH library and the light diffracted from the object is once again modulated by the same phase masks. The intensity patterns are recorded and superposed exactly as the PSH to yield a complex hologram of the object. The object information at any particular plane is reconstructed by a cross-correlation between the complex valued hologram and the appropriate element of the PSH library. The characteristics and the performance of the proposed system were compared with an equivalent regular imaging system.

PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

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

Matthew Ellis; Derek Gaston; Benoit Forget

In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

Combustor Computations for CO2-Neutral Aviation

NASA Technical Reports Server (NTRS)

Hendricks, Robert C.; Brankovic, Andreja; Ryder, Robert C.; Huber, Marcia

2011-01-01

Knowing the pure component C(sub p)(sup 0) or mixture C(sub p) (sup 0) as computed by a flexible code such as NIST-STRAPP or McBride-Gordon, one can, within reasonable accuracy, determine the thermophysical properties necessary to predict the combustion characteristics when there are no tabulated or computed data for those fluid mixtures 3or limited results for lower temperatures. (Note: C(sub p) (sup 0) is molar heat capacity at constant pressure.) The method can be used in the determination of synthetic and biological fuels and blends using the NIST code to compute the C(sub p) (sup 0) of the mixture. In this work, the values of the heat capacity were set at zero pressure, which provided the basis for integration to determine the required combustor properties from the injector to the combustor exit plane. The McBride-Gordon code was used to determine the heat capacity at zero pressure over a wide range of temperatures (room to 6,000 K). The selected fluids were Jet-A, 224TMP (octane), and C12. It was found that each heat capacity loci were form-similar. It was then determined that the results [near 400 to 3,000 K] could be represented to within acceptable engineering accuracy with the simplified equation C(sub p) (sup 0) = A/T + B, where A and B are fluid-dependent constants and T is temperature (K).

Development of the Tensoral Computer Language

NASA Technical Reports Server (NTRS)

Ferziger, Joel; Dresselhaus, Eliot

1996-01-01

The research scientist or engineer wishing to perform large scale simulations or to extract useful information from existing databases is required to have expertise in the details of the particular database, the numerical methods and the computer architecture to be used. This poses a significant practical barrier to the use of simulation data. The goal of this research was to develop a high-level computer language called Tensoral, designed to remove this barrier. The Tensoral language provides a framework in which efficient generic data manipulations can be easily coded and implemented. First of all, Tensoral is general. The fundamental objects in Tensoral represent tensor fields and the operators that act on them. The numerical implementation of these tensors and operators is completely and flexibly programmable. New mathematical constructs and operators can be easily added to the Tensoral system. Tensoral is compatible with existing languages. Tensoral tensor operations co-exist in a natural way with a host language, which may be any sufficiently powerful computer language such as Fortran, C, or Vectoral. Tensoral is very-high-level. Tensor operations in Tensoral typically act on entire databases (i.e., arrays) at one time and may, therefore, correspond to many lines of code in a conventional language. Tensoral is efficient. Tensoral is a compiled language. Database manipulations are simplified optimized and scheduled by the compiler eventually resulting in efficient machine code to implement them.

Quadriphase DS-CDMA wireless communication systems employing the generalized detector

NASA Astrophysics Data System (ADS)

Tuzlukov, Vyacheslav

2012-05-01

Probability of bit-error Per performance of asynchronous direct-sequence code-division multiple-access (DS-CDMA) wireless communication systems employing the generalized detector (GD) constructed based on the generalized approach to signal processing in noise is analyzed. The effects of pulse shaping, quadriphase or direct sequence quadriphase shift keying (DS-QPSK) spreading, aperiodic spreading sequences are considered in DS-CDMA based on GD and compared with the coherent Neyman-Pearson receiver. An exact Per expression and several approximations: one using the characterristic function method, a simplified expression for the improved Gaussian approximation (IGA) and the simplified improved Gaussian approximation are derived. Under conditions typically satisfied in practice and even with a small number of interferers, the standard Gaussian approximation (SGA) for the multiple-access interference component of the GD statistic and Per performance is shown to be accurate. Moreover, the IGA is shown to reduce to the SGA for pulses with zero excess bandwidth. Second, the GD Per performance of quadriphase DS-CDMA is shown to be superior to that of bi-phase DS-CDMA. Numerical examples by Monte Carlo simulation are presented to illustrate the GD Per performance for square-root raised-cosine pulses and spreading factors of moderate to large values. Also, a superiority of GD employment in CDMA systems over the Neyman-Pearson receiver is demonstrated

Mining dynamic noteworthy functions in software execution sequences

PubMed Central

Huang, Guoyan; Wang, Yuqian; He, Haitao; Ren, Jiadong

2017-01-01

As the quality of crucial entities can directly affect that of software, their identification and protection become an important premise for effective software development, management, maintenance and testing, which thus contribute to improving the software quality and its attack-defending ability. Most analysis and evaluation on important entities like codes-based static structure analysis are on the destruction of the actual software running. In this paper, from the perspective of software execution process, we proposed an approach to mine dynamic noteworthy functions (DNFM)in software execution sequences. First, according to software decompiling and tracking stack changes, the execution traces composed of a series of function addresses were acquired. Then these traces were modeled as execution sequences and then simplified so as to get simplified sequences (SFS), followed by the extraction of patterns through pattern extraction (PE) algorithm from SFS. After that, evaluating indicators inner-importance and inter-importance were designed to measure the noteworthiness of functions in DNFM algorithm. Finally, these functions were sorted by their noteworthiness. Comparison and contrast were conducted on the experiment results from two traditional complex network-based node mining methods, namely PageRank and DegreeRank. The results show that the DNFM method can mine noteworthy functions in software effectively and precisely. PMID:28278276

An architecture for genomics analysis in a clinical setting using Galaxy and Docker

PubMed Central

Digan, W; Countouris, H; Barritault, M; Baudoin, D; Laurent-Puig, P; Blons, H; Burgun, A

2017-01-01

Abstract Next-generation sequencing is used on a daily basis to perform molecular analysis to determine subtypes of disease (e.g., in cancer) and to assist in the selection of the optimal treatment. Clinical bioinformatics handles the manipulation of the data generated by the sequencer, from the generation to the analysis and interpretation. Reproducibility and traceability are crucial issues in a clinical setting. We have designed an approach based on Docker container technology and Galaxy, the popular bioinformatics analysis support open-source software. Our solution simplifies the deployment of a small-size analytical platform and simplifies the process for the clinician. From the technical point of view, the tools embedded in the platform are isolated and versioned through Docker images. Along the Galaxy platform, we also introduce the AnalysisManager, a solution that allows single-click analysis for biologists and leverages standardized bioinformatics application programming interfaces. We added a Shiny/R interactive environment to ease the visualization of the outputs. The platform relies on containers and ensures the data traceability by recording analytical actions and by associating inputs and outputs of the tools to EDAM ontology through ReGaTe. The source code is freely available on Github at https://github.com/CARPEM/GalaxyDocker. PMID:29048555

New PANDA Tests to Investigate Effects of Light Gases on Passive Safety Systems

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

Paladino, D.; Auban, O.; Candreia, P.

The large- scale thermal-hydraulic PANDA facility (located at PSI in Switzerland), has been used over the last few years for investigating different passive decay- heat removal systems and containment phenomena for the next generation of light water reactors (Simplified Boiling Water Reactor: SBWR; European Simplified Boiling Water Reactor: ESBWR; Siedewasserreaktor: SWR-1000). Currently, as part of the European Commission 5. EURATOM Framework Programme project 'Testing and Enhanced Modelling of Passive Evolutionary Systems Technology for Containment Cooling' (TEMPEST), a new series of tests is being planned in the PANDA facility to experimentally investigate the distribution of non-condensable gases inside the containment andmore » their effect on the performance of the 'Passive Containment Cooling System' (PCCS). Hydrogen release caused by the metal-water reaction in the case of a postulated severe accident will be simulated in PANDA by injecting helium into the reactor pressure vessel. In order to provide suitable data for Computational Fluid Dynamic (CFD) code assessment and improvement, the instrumentation in PANDA has been upgraded for the new tests. In the present paper, a detailed discussion is given of the new PANDA tests to be performed to investigate the effects of light gas on passive safety systems. The tests are scheduled for the first half of the year 2002. (authors)« less

An architecture for genomics analysis in a clinical setting using Galaxy and Docker.

PubMed

Digan, W; Countouris, H; Barritault, M; Baudoin, D; Laurent-Puig, P; Blons, H; Burgun, A; Rance, B

2017-11-01

Next-generation sequencing is used on a daily basis to perform molecular analysis to determine subtypes of disease (e.g., in cancer) and to assist in the selection of the optimal treatment. Clinical bioinformatics handles the manipulation of the data generated by the sequencer, from the generation to the analysis and interpretation. Reproducibility and traceability are crucial issues in a clinical setting. We have designed an approach based on Docker container technology and Galaxy, the popular bioinformatics analysis support open-source software. Our solution simplifies the deployment of a small-size analytical platform and simplifies the process for the clinician. From the technical point of view, the tools embedded in the platform are isolated and versioned through Docker images. Along the Galaxy platform, we also introduce the AnalysisManager, a solution that allows single-click analysis for biologists and leverages standardized bioinformatics application programming interfaces. We added a Shiny/R interactive environment to ease the visualization of the outputs. The platform relies on containers and ensures the data traceability by recording analytical actions and by associating inputs and outputs of the tools to EDAM ontology through ReGaTe. The source code is freely available on Github at https://github.com/CARPEM/GalaxyDocker. © The Author 2017. Published by Oxford University Press.

Nonlinear transient analysis of multi-mass flexible rotors - theory and applications

NASA Technical Reports Server (NTRS)

Kirk, R. G.; Gunter, E. J.

1973-01-01

The equations of motion necessary to compute the transient response of multi-mass flexible rotors are formulated to include unbalance, rotor acceleration, and flexible damped nonlinear bearing stations. A method of calculating the unbalance response of flexible rotors from a modified Myklestad-Prohl technique is discussed in connection with the method of solution for the transient response. Several special cases of simplified rotor-bearing systems are presented and analyzed for steady-state response, stability, and transient behavior. These simplified rotor models produce extensive design information necessary to insure stable performance to elastic mounted rotor-bearing systems under varying levels and forms of excitation. The nonlinear journal bearing force expressions derived from the short bearing approximation are utilized in the study of the stability and transient response of the floating bush squeeze damper support system. Both rigid and flexible rotor models are studied, and results indicate that the stability of flexible rotors supported by journal bearings can be greatly improved by the use of squeeze damper supports. Results from linearized stability studies of flexible rotors indicate that a tuned support system can greatly improve the performance of the units from the standpoint of unbalanced response and impact loading. Extensive stability and design charts may be readily produced for given rotor specifications by the computer codes presented in this analysis.

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

Viktor K. Decyk

The UCLA work on this grant was to design and help implement an object-oriented version of the GTC code, which is written in Fortran90. The GTC code is the main global gyrokinetic code used in this project, and over the years multiple, incompatible versions have evolved. The reason for this effort is to allow multiple authors to work together on GTC and to simplify future enhancements to GTC. The effort was designed to proceed incrementally. Initially, an upper layer of classes (derived types and methods) was implemented which called the original GTC code 'under the hood.' The derived types pointedmore » to data in the original GTC code, and the methods called the original GTC subroutines. The original GTC code was modified only very slightly. This allowed one to define (and refine) a set of classes which described the important features of the GTC code in a new, more abstract way, with a minimum of implementation. Furthermore, classes could be added one at a time, and at the end of the each day, the code continued to work correctly. This work was done in close collaboration with Y. Nishimura from UC Irvine and Stefan Ethier from PPPL. Ten classes were ultimately defined and implemented: gyrokinetic and drift kinetic particles, scalar and vector fields, a mesh, jacobian, FLR, equilibrium, interpolation, and particles species descriptors. In the second state of this development, some of the scaffolding was removed. The constructors in the class objects now allocated the data and the array data in the original GTC code was removed. This isolated the components and now allowed multiple instantiations of the objects to be created, in particular, multiple ion species. Again, the work was done incrementally, one class at a time, so that the code was always working properly. This work was done in close collaboration with Y. Nishimura and W. Zhang from UC Irvine and Stefan Ethier from PPPL. The third stage of this work was to integrate the capabilities of the various versions of the GTC code into one flexible and extensible version. To do this, we developed a methodology to implement Design Patterns in Fortran90. Design Patterns are abstract solutions to generic programming problems, which allow one to handle increased complexity. This work was done in collaboration with Henry Gardner, a computer scientist (and former plasma physicist) from the Australian National University. As an example, the Strategy Pattern is being used in GTC to support multiple solvers. This new code is currently being used in the study of energetic particles. A document describing the evolution of the GTC code to this new object-oriented version is available to users of GTC.« less

Effects of Bi doping on structural and magnetic properties of double perovskite oxides Sr2FeMoO6

NASA Astrophysics Data System (ADS)

Lan, Yaohai; Feng, Xiaomei; Zhang, Xin; Shen, Yifu; Wang, Ding

2016-08-01

A new series of double perovskite compounds Sr2 - δBixFeMoO6 have been synthesized by solid-state reaction. δ refers to the nominal doping content of Bi (δ = 0, 0.1, 0.2, 0.3, 0.4, 0.5), while the Bi content obtained by the Rietveld refinement is x = 0, 0.01, 0.05, 0.08, 0.10 and 0.12. Their crystal structure and magnetic properties are investigated. Rietveld analysis of the room temperature XRD data shows all the samples crystallize in the cubic crystal structure with the space group Fm 3 ‾ m and have no phase transition. SEM images show that substituted samples present a denser microstructure and bigger grains than Sr2FeMoO6, which is caused by a liquid sintering process due to the effumability of Bi. The unit cell volume increases with augment of Bi3+ concentration despite the smaller ionic radius Bi3+ compared with the Sr2+, which is attributed to the electronic effect. The degree of Fe/Mo order (η) increases first and then decreases to almost disappearance with augment of Bi doping, which is the result of contribution from electronic effect. Calculated saturation magnetization Ms(3) according to our phase separation likeness model matches well with the experimental ones. The observed variations of magnetoresistance (MR) are consistent with the Fe/Mo order (η) due to the internal connection with anti-site defect (ASD).

Mineralogical and chemical characterization of iron-, manganese-, and copper-containing synthetic hydroxyapatites.

PubMed

Sutter, B; Ming, D W; Clearfield, A; Hossner, L R

2003-01-01

The National Aeronautics and Space Administration's (NASA) Advanced Life Support (ALS) Program is evaluating the use of Fe-, Mn-, and Cu-containing synthetic hydroxyapatite (SHA) as a slow release fertilizer for crops that might be grown on the International Space Station or at Lunar and Martian outposts. Separate Fe-, Mn-, and Cu-containing SHA materials along with a transition-metal free SHA (pure-SHA) were synthesized using a precipitation method. Chemical and mineralogical analyses determined if and how Fe, Mn, and Cu were incorporated into the SHA structure. X-ray diffraction (XRD), Rietveld refinement, and transmission electron microscopy (TEM) confirmed that SHA materials with the apatite structure were produced. Chemical analyses indicated that the metal containing SHA materials were deficient in Ca relative to pure-SHA. The shift in the infrared PO4-mu 3 vibrations, smaller unit cell parameters, smaller particle size, and greater structural strain for Fe-, Mn-, and Cu-containing SHA compared with pure-SHA suggested that Fe, Mn, and Cu were incorporated into SHA structure. Rietveld analyses revealed that Fe, Mn, and Cu substituted into the Ca2 site of SHA. An Fe-rich phase was detected by TEM analyses and backscattered electron microscopy in the Fe-containing SHA material with the greatest Fe content. The substitution of metals into SHA suggests that metal-SHA materials are potential slow-release sources of micronutrients for plant uptake in addition to Ca and P.

The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis.

PubMed

Yang, X; Yang, L; Lin, J; Zhou, R

2016-01-28

Pd/CeO2-ZrO2-Nd2O3 (CZN) catalysts with different CeO2/ZrO2 molar ratios were synthesized and have been characterized by multiple techniques, e.g. XRD in combination with Rietveld refinement, UV-Raman, XPS and in situ DRIFTS. The XRD pattern of CZN with CeO2/ZrO2 molar ratios ≥1/2 can be indexed satisfactorily to the fluorite structure with a space group Fm3̄m, while the XRD patterns of CZ12 only display diffraction peaks of the tetragonal phase (S.G. P42/nmc). Nd addition can effectively stabilize the cubic structure of the CZN support and increase the enrichment of defect sites on the surface, which may be related to the better catalytic activity of Pd/CZN12 catalysts compared with Pd/CZ12. The presence of moderate ZrO2 can increase the concentration of O* active species, leading to accelerate the formation of nitrate species and thus enhance the catalytic activity of NOx and HC elimination. The Pd-dispersion decreases with the increasing Zr content, leading to the decreased CO catalytic activity, especially for the aged catalysts. The change regularity of the OSC value is almost the same with the in situ dynamic operational window, demonstrating that the in situ dynamic operational window is basically affected by the OSC value.

Triggering Incipient Ferroelectricity in Calcium Copper Titanate (CaCu3Ti4O12) ceramics through partial B-site substitution with Te4+ ion

NASA Astrophysics Data System (ADS)

Barman, Nabadyuti; Varma, K. B. R.

Double perovskite structured dielectric ceramic CaCu3Ti4- x TexO12 (CCTTO) (x = 0, 0.05, 0.1, 0.15, 0.2) was fabricated from the powder obtained by conventional solid state synthetic route. The room temperature XRD patterns for the x = 0, 0.05, 0.075 modified samples were confirmed to possess a single phase with cubic space group Im3by Rietveld refinement. But, the Rietveld refinement performed on XRD patterns recorded for the compositions corresponding to x = 0.1, 0.15, 0.2 shows the coexistence of the cubic phase (space group Im3; a = 7.4065Å) and tetragonal phase (space group I4/mcm; a = 7.369 Å and c = 6.967 Å). The dielectric properties of these ceramics were studied over a wide frequency (40Hz-2MHz) and temperature range (30-400K). The Te4+ doped samples (CCTTO) exhibited dielectric permittivity (?r) value of ~23-33X103 which is more than twice that of undoped CCTO (~11x103) at 1kHz. A decreasing trend in dielectric permittivity with increasing temperature, a signature of incipient ferroelectricity, was observed for all the samples. Barrett's formula was invoked to rationalize the dielectric permittivity variation as a function of temperature. The incipient ferroelectric behavior is correlated with soft phonon mode observed in temperature dependent Raman Spectroscopic studies. .

In-situ early-age hydration study of sulfobelite cements by synchrotron powder diffraction

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

Álvarez-Pinazo, G.; Cuesta, A.; García-Maté, M.

Eco-friendly belite calcium sulfoaluminate (BCSA) cement hydration behavior is not yet well understood. Here, we report an in-situ synchrotron X-ray powder diffraction study for the first hours of hydration of BCSA cements. Rietveld quantitative phase analysis has been used to establish the degree of reaction (α). The hydration of a mixture of ye'elimite and gypsum revealed that ettringite formation (α ∼ 70% at 50 h) is limited by ye'elimite dissolution. Two laboratory-prepared BCSA cements were also studied: non-active-BCSA and active-BCSA cements, with β- and α′{sub H}-belite as main phases, respectively. Ye'elimite, in the non-active-BCSA system, dissolves at higher pace (αmore » ∼ 25% at 1 h) than in the active-BCSA one (α ∼ 10% at 1 h), with differences in the crystallization of ettringite (α ∼ 30% and α ∼ 5%, respectively). This behavior has strongly affected subsequent belite and ferrite reactivities, yielding stratlingite and other layered phases in non-active-BCSA. The dissolution and crystallization processes are reported and discussed in detail. -- Highlights: •Belite calcium sulfoaluminate cements early hydration mechanism has been determined. •Belite hydration strongly depends on availability of aluminum hydroxide. •Orthorhombic ye’elimite dissolved at a higher pace than cubic one. •Ye’elimite larger reaction degree yields stratlingite formation by belite reaction. •Rietveld method quantified gypsum, anhydrite and bassanite dissolution rates.« less

Mineralogical and chemical characterization of iron-, manganese-, and copper-containing synthetic hydroxyapatites

NASA Technical Reports Server (NTRS)

Sutter, B.; Ming, D. W.; Clearfield, A.; Hossner, L. R.

2003-01-01

The National Aeronautics and Space Administration's (NASA) Advanced Life Support (ALS) Program is evaluating the use of Fe-, Mn-, and Cu-containing synthetic hydroxyapatite (SHA) as a slow release fertilizer for crops that might be grown on the International Space Station or at Lunar and Martian outposts. Separate Fe-, Mn-, and Cu-containing SHA materials along with a transition-metal free SHA (pure-SHA) were synthesized using a precipitation method. Chemical and mineralogical analyses determined if and how Fe, Mn, and Cu were incorporated into the SHA structure. X-ray diffraction (XRD), Rietveld refinement, and transmission electron microscopy (TEM) confirmed that SHA materials with the apatite structure were produced. Chemical analyses indicated that the metal containing SHA materials were deficient in Ca relative to pure-SHA. The shift in the infrared PO4-mu 3 vibrations, smaller unit cell parameters, smaller particle size, and greater structural strain for Fe-, Mn-, and Cu-containing SHA compared with pure-SHA suggested that Fe, Mn, and Cu were incorporated into SHA structure. Rietveld analyses revealed that Fe, Mn, and Cu substituted into the Ca2 site of SHA. An Fe-rich phase was detected by TEM analyses and backscattered electron microscopy in the Fe-containing SHA material with the greatest Fe content. The substitution of metals into SHA suggests that metal-SHA materials are potential slow-release sources of micronutrients for plant uptake in addition to Ca and P.

Structural, magnetic, magneto-caloric and Mössbauer spectral study of Tb{sub 2}Fe{sub 17} compound synthesized by arc melting

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

Charfeddine, S.; LVMU, Centre National de Recherches en Sciences des Matériaux, Technopole de Borj-Cédria, BP 73 Soliman 8027; Zehani, K.

We have synthesized the intermetallic Tb{sub 2}Fe{sub 17} compound in hexagonal crystal structure by arc-melting without annealing. X-ray diffraction pattern has been refined by Rietveld method. The crystal structure is hexagonal with P6{sub 3}/mmc space group (Th{sub 2}Ni{sub 17}-type). The Mössbauer spectrum of Tb{sub 2}Fe{sub 17} compound has been analyzed with seven magnetic sextets assigned to the inequivalent crystallographic sites. The temperature dependence of magnetization data revealed that Tb{sub 2}Fe{sub 17} exhibits a second-order ferromagnetic to paramagnetic phase transition in the vicinity of Curie temperature (T{sub C}=412 K). The relative cooling power around the magnetic transition and the Arrott plotsmore » are also reported. - Graphical abstract: A 3D surface showing the temperature and applied magnetic field dependencies of the magnetization for Tb{sub 2}Fe{sub 17} compound (left). Rietveld analysis of the XRD pattern (right). Crystal structure for the hexagonal P6{sub 3}/mmc Tb{sub 2}Fe{sub 17} (bottom). Display Omitted - Highlights: • Tb{sub 2}Fe{sub 17} single-phase synthesized by simple arc-melting without any heat treatment. • The crystal structure is hexagonal with P6{sub 3}/mmc space group. • The magnetic entropy change of the sample was determined by Maxwell relation. • Hyperfine parameters, magnetic and magnetocaloric properties were studied.« less

Understanding the formation and growth of Ag nanoparticles on silver chromate induced by electron irradiation in electron microscope: A combined experimental and theoretical study

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

Fabbro, Maria T.; Department of Inorganic and Organic Chemistry, Universitat Jaume I, Campus del Riu Sec, E-12071 Castellón; Gracia, Lourdes

Ag{sub 2}CrO{sub 4} microcrystals were synthesized using the co-precipitation method. These microcrystals were characterized through X-ray diffraction (XRD) with Rietveld analysis, field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) with energy-dispersive spectroscopy (EDS), micro-Raman (MR). XRD patterns and Rietveld refinement data showed that the material exhibits an orthorhombic structure without any deleterious phases. FE-SEM and TEM micrographs revealed the morphology and the growth of Ag nanoparticles on Ag{sub 2}CrO{sub 4} microcrystals during electron beam irradiation. These events were directly monitored in real-time. Their optical properties were investigated using ultraviolet-visible (UV–vis) diffuse reflectance spectroscopy that allowed the calculation of themore » optical band gap energy. Theoretical analyses based on the density functional theory level indicate that the incorporation of electrons is responsible for structural modifications and formation of defects on the [AgO{sub 6}] and [AgO{sub 4}] clusters, generating ideal conditions for the growth of Ag nanoparticles. - Graphical abstract: Theoretical representation of the Ag{sub 2}CrO{sub 4} orthorhombic structure. Display Omitted - Highlights: • The Ag{sub 2}CrO{sub 4} microcrystals indicate an orthorhombic structure. • The formation of Ag{sup 0} promotes Ag-nanoparticle growth on the surface of the Ag{sub 2}CrO{sub 4}. • Electron irradiation of the material induces the formation of Ag vacancies.« less